USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 46:sc= 1.12 USER MOD Set 2.2: A 65 THR OG1 : rot -67:sc= 0.244 USER MOD Set 3.1: A 1 MET N :NH3+ -165:sc= 2.36 (180deg=0.144) USER MOD Set 3.2: A 41 GLN : amide:sc= 1.02 K(o=3.4,f=-9.9!) USER MOD Single : A 1 MET CE :methyl 161:sc= 0 (180deg=-0.524) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0.616 K(o=0.62,f=-6.3!) USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= -0.0359 (180deg=-0.259) USER MOD Single : A 9 MET CE :methyl -105:sc= -4.73! (180deg=-7.55!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.123 USER MOD Single : A 14 CYS SG : rot -90:sc= -1.99! USER MOD Single : A 17 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.2!) USER MOD Single : A 19 LYS NZ :NH3+ 135:sc= 1.11 (180deg=-0.543!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.143 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.685 USER MOD Single : A 48 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 54 THR OG1 : rot -174:sc= -0.733 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.228 -3.322 -1.039 1.00 0.00 N ATOM 2 CA MET A 1 0.533 -2.183 -0.473 1.00 0.00 C ATOM 3 C MET A 1 -0.152 -0.859 -0.802 1.00 0.00 C ATOM 4 O MET A 1 0.034 0.135 -0.103 1.00 0.00 O ATOM 5 CB MET A 1 1.976 -2.186 -0.998 1.00 0.00 C ATOM 6 CG MET A 1 2.116 -1.781 -2.458 1.00 0.00 C ATOM 7 SD MET A 1 1.470 -3.029 -3.588 1.00 0.00 S ATOM 8 CE MET A 1 2.162 -2.464 -5.140 1.00 0.00 C ATOM 0 H1 MET A 1 0.097 -4.208 -0.602 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.242 -3.192 -0.846 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.074 -3.366 -2.067 1.00 0.00 H new ATOM 0 HA MET A 1 0.559 -2.295 0.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.573 -1.509 -0.387 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.394 -3.184 -0.869 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.590 -0.840 -2.622 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.168 -1.602 -2.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.149 -3.280 -5.863 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.570 -1.632 -5.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.189 -2.136 -4.982 1.00 0.00 H new ATOM 20 N THR A 2 -0.942 -0.848 -1.866 1.00 0.00 N ATOM 21 CA THR A 2 -1.690 0.337 -2.240 1.00 0.00 C ATOM 22 C THR A 2 -3.176 0.120 -1.985 1.00 0.00 C ATOM 23 O THR A 2 -3.664 -1.008 -2.065 1.00 0.00 O ATOM 24 CB THR A 2 -1.465 0.679 -3.723 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.525 -0.244 -4.293 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.949 2.103 -3.882 1.00 0.00 C ATOM 0 H THR A 2 -1.080 -1.648 -2.484 1.00 0.00 H new ATOM 0 HA THR A 2 -1.336 1.169 -1.632 1.00 0.00 H new ATOM 0 HB THR A 2 -2.419 0.600 -4.244 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.384 -0.026 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.798 2.319 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.676 2.802 -3.469 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.003 2.208 -3.352 1.00 0.00 H new ATOM 34 N HIS A 3 -3.893 1.190 -1.669 1.00 0.00 N ATOM 35 CA HIS A 3 -5.325 1.088 -1.412 1.00 0.00 C ATOM 36 C HIS A 3 -6.097 1.817 -2.496 1.00 0.00 C ATOM 37 O HIS A 3 -6.009 3.032 -2.624 1.00 0.00 O ATOM 38 CB HIS A 3 -5.712 1.642 -0.024 1.00 0.00 C ATOM 39 CG HIS A 3 -4.618 2.371 0.697 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.648 1.732 1.440 1.00 0.00 N ATOM 41 CD2 HIS A 3 -4.331 3.693 0.773 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.815 2.627 1.935 1.00 0.00 C ATOM 43 NE2 HIS A 3 -3.207 3.820 1.543 1.00 0.00 N ATOM 0 H HIS A 3 -3.511 2.132 -1.585 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.584 0.029 -1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.560 2.316 -0.143 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.048 0.814 0.600 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.886 4.497 0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.957 2.416 2.556 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.746 4.700 1.776 1.00 0.00 H new ATOM 52 N LEU A 4 -6.852 1.066 -3.270 1.00 0.00 N ATOM 53 CA LEU A 4 -7.661 1.636 -4.331 1.00 0.00 C ATOM 54 C LEU A 4 -8.969 2.133 -3.746 1.00 0.00 C ATOM 55 O LEU A 4 -9.431 1.624 -2.724 1.00 0.00 O ATOM 56 CB LEU A 4 -7.931 0.598 -5.423 1.00 0.00 C ATOM 57 CG LEU A 4 -7.434 0.980 -6.818 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.927 0.811 -6.919 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.140 0.149 -7.877 1.00 0.00 C ATOM 0 H LEU A 4 -6.924 0.052 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.122 2.469 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.463 -0.343 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.005 0.417 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.668 2.031 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.596 1.088 -7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.439 1.452 -6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.664 -0.229 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.776 0.432 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.937 -0.908 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.214 0.326 -7.822 1.00 0.00 H new ATOM 71 N LYS A 5 -9.559 3.123 -4.379 1.00 0.00 N ATOM 72 CA LYS A 5 -10.755 3.748 -3.845 1.00 0.00 C ATOM 73 C LYS A 5 -11.984 3.369 -4.653 1.00 0.00 C ATOM 74 O LYS A 5 -11.969 3.375 -5.887 1.00 0.00 O ATOM 75 CB LYS A 5 -10.592 5.262 -3.810 1.00 0.00 C ATOM 76 CG LYS A 5 -10.458 5.825 -2.407 1.00 0.00 C ATOM 77 CD LYS A 5 -11.812 6.221 -1.840 1.00 0.00 C ATOM 78 CE LYS A 5 -11.689 7.397 -0.891 1.00 0.00 C ATOM 79 NZ LYS A 5 -11.369 8.660 -1.608 1.00 0.00 N ATOM 0 H LYS A 5 -9.233 3.514 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.897 3.384 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.711 5.538 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.451 5.723 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.992 5.083 -1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.800 6.693 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.489 6.478 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.252 5.372 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.622 7.519 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.911 7.190 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.652 9.472 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.346 8.705 -1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.884 8.687 -2.511 1.00 0.00 H new ATOM 93 N ILE A 6 -13.042 3.039 -3.937 1.00 0.00 N ATOM 94 CA ILE A 6 -14.308 2.677 -4.545 1.00 0.00 C ATOM 95 C ILE A 6 -15.128 3.934 -4.815 1.00 0.00 C ATOM 96 O ILE A 6 -15.455 4.679 -3.890 1.00 0.00 O ATOM 97 CB ILE A 6 -15.107 1.720 -3.628 1.00 0.00 C ATOM 98 CG1 ILE A 6 -14.330 0.415 -3.403 1.00 0.00 C ATOM 99 CG2 ILE A 6 -16.485 1.427 -4.205 1.00 0.00 C ATOM 100 CD1 ILE A 6 -13.870 -0.255 -4.683 1.00 0.00 C ATOM 0 H ILE A 6 -13.048 3.014 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.104 2.164 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 6 -15.244 2.214 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.460 0.625 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.959 -0.280 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -17.022 0.752 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -17.043 2.358 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.378 0.961 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.329 -1.170 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -14.736 -0.498 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.213 0.420 -5.232 1.00 0.00 H new ATOM 112 N THR A 7 -15.455 4.174 -6.078 1.00 0.00 N ATOM 113 CA THR A 7 -16.184 5.375 -6.452 1.00 0.00 C ATOM 114 C THR A 7 -17.403 5.025 -7.296 1.00 0.00 C ATOM 115 O THR A 7 -17.423 3.995 -7.980 1.00 0.00 O ATOM 116 CB THR A 7 -15.281 6.356 -7.225 1.00 0.00 C ATOM 117 OG1 THR A 7 -13.997 5.761 -7.461 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.106 7.651 -6.447 1.00 0.00 C ATOM 0 H THR A 7 -15.228 3.555 -6.856 1.00 0.00 H new ATOM 0 HA THR A 7 -16.515 5.858 -5.533 1.00 0.00 H new ATOM 0 HB THR A 7 -15.758 6.581 -8.179 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.116 4.842 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.465 8.330 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.079 8.116 -6.291 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.648 7.436 -5.482 1.00 0.00 H new ATOM 126 N GLY A 8 -18.433 5.857 -7.217 1.00 0.00 N ATOM 127 CA GLY A 8 -19.648 5.623 -7.976 1.00 0.00 C ATOM 128 C GLY A 8 -20.570 4.633 -7.290 1.00 0.00 C ATOM 129 O GLY A 8 -21.789 4.802 -7.282 1.00 0.00 O ATOM 0 H GLY A 8 -18.449 6.696 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.173 6.568 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.389 5.250 -8.967 1.00 0.00 H new ATOM 133 N MET A 9 -19.977 3.610 -6.695 1.00 0.00 N ATOM 134 CA MET A 9 -20.729 2.574 -6.008 1.00 0.00 C ATOM 135 C MET A 9 -21.078 3.003 -4.591 1.00 0.00 C ATOM 136 O MET A 9 -20.530 3.981 -4.075 1.00 0.00 O ATOM 137 CB MET A 9 -19.923 1.284 -5.963 1.00 0.00 C ATOM 138 CG MET A 9 -19.421 0.840 -7.321 1.00 0.00 C ATOM 139 SD MET A 9 -18.127 -0.408 -7.208 1.00 0.00 S ATOM 140 CE MET A 9 -16.681 0.570 -7.608 1.00 0.00 C ATOM 0 H MET A 9 -18.966 3.475 -6.675 1.00 0.00 H new ATOM 0 HA MET A 9 -21.654 2.407 -6.560 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.072 1.419 -5.296 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.540 0.494 -5.536 1.00 0.00 H new ATOM 0 HG2 MET A 9 -20.254 0.442 -7.900 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.040 1.705 -7.864 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.356 0.340 -8.623 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.927 1.629 -7.537 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.879 0.336 -6.908 1.00 0.00 H new ATOM 150 N THR A 10 -21.986 2.270 -3.970 1.00 0.00 N ATOM 151 CA THR A 10 -22.387 2.544 -2.606 1.00 0.00 C ATOM 152 C THR A 10 -21.434 1.885 -1.614 1.00 0.00 C ATOM 153 O THR A 10 -20.608 2.560 -0.998 1.00 0.00 O ATOM 154 CB THR A 10 -23.817 2.042 -2.348 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.420 1.636 -3.585 1.00 0.00 O ATOM 156 CG2 THR A 10 -24.658 3.124 -1.691 1.00 0.00 C ATOM 0 H THR A 10 -22.462 1.474 -4.396 1.00 0.00 H new ATOM 0 HA THR A 10 -22.355 3.624 -2.465 1.00 0.00 H new ATOM 0 HB THR A 10 -23.768 1.188 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.330 1.315 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.666 2.747 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.208 3.407 -0.739 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.704 3.996 -2.344 1.00 0.00 H new ATOM 164 N CYS A 11 -21.534 0.558 -1.497 1.00 0.00 N ATOM 165 CA CYS A 11 -20.781 -0.193 -0.502 1.00 0.00 C ATOM 166 C CYS A 11 -21.128 -1.679 -0.556 1.00 0.00 C ATOM 167 O CYS A 11 -22.035 -2.091 -1.286 1.00 0.00 O ATOM 168 CB CYS A 11 -21.085 0.342 0.894 1.00 0.00 C ATOM 169 SG CYS A 11 -22.851 0.437 1.276 1.00 0.00 S ATOM 0 H CYS A 11 -22.135 -0.018 -2.086 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.720 -0.073 -0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.598 -0.297 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.648 1.335 0.995 1.00 0.00 H new ATOM 0 HG CYS A 11 -23.010 0.899 2.481 1.00 0.00 H new ATOM 175 N ASP A 12 -20.385 -2.463 0.221 1.00 0.00 N ATOM 176 CA ASP A 12 -20.643 -3.892 0.426 1.00 0.00 C ATOM 177 C ASP A 12 -20.658 -4.690 -0.873 1.00 0.00 C ATOM 178 O ASP A 12 -19.604 -5.109 -1.345 1.00 0.00 O ATOM 179 CB ASP A 12 -21.947 -4.101 1.209 1.00 0.00 C ATOM 180 CG ASP A 12 -22.203 -5.560 1.537 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.227 -6.292 1.803 1.00 0.00 O ATOM 182 OD2 ASP A 12 -23.376 -5.979 1.541 1.00 0.00 O ATOM 0 H ASP A 12 -19.573 -2.121 0.735 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.809 -4.276 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.907 -3.526 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.782 -3.711 0.627 1.00 0.00 H new ATOM 187 N SER A 13 -21.841 -4.900 -1.444 1.00 0.00 N ATOM 188 CA SER A 13 -21.983 -5.673 -2.672 1.00 0.00 C ATOM 189 C SER A 13 -21.081 -5.112 -3.765 1.00 0.00 C ATOM 190 O SER A 13 -20.543 -5.850 -4.594 1.00 0.00 O ATOM 191 CB SER A 13 -23.441 -5.644 -3.118 1.00 0.00 C ATOM 192 OG SER A 13 -24.225 -4.891 -2.205 1.00 0.00 O ATOM 0 H SER A 13 -22.721 -4.542 -1.072 1.00 0.00 H new ATOM 0 HA SER A 13 -21.683 -6.704 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.514 -5.209 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.827 -6.661 -3.185 1.00 0.00 H new ATOM 0 HG SER A 13 -25.158 -4.880 -2.506 1.00 0.00 H new ATOM 198 N CYS A 14 -20.902 -3.800 -3.731 1.00 0.00 N ATOM 199 CA CYS A 14 -20.021 -3.120 -4.657 1.00 0.00 C ATOM 200 C CYS A 14 -18.575 -3.529 -4.419 1.00 0.00 C ATOM 201 O CYS A 14 -17.852 -3.857 -5.357 1.00 0.00 O ATOM 202 CB CYS A 14 -20.173 -1.610 -4.496 1.00 0.00 C ATOM 203 SG CYS A 14 -21.887 -1.053 -4.325 1.00 0.00 S ATOM 0 H CYS A 14 -21.363 -3.183 -3.062 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.294 -3.403 -5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -19.609 -1.290 -3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -19.726 -1.117 -5.359 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.379 -0.796 -5.500 1.00 0.00 H new ATOM 209 N ALA A 15 -18.171 -3.541 -3.157 1.00 0.00 N ATOM 210 CA ALA A 15 -16.802 -3.889 -2.807 1.00 0.00 C ATOM 211 C ALA A 15 -16.553 -5.368 -3.069 1.00 0.00 C ATOM 212 O ALA A 15 -15.433 -5.781 -3.377 1.00 0.00 O ATOM 213 CB ALA A 15 -16.524 -3.547 -1.350 1.00 0.00 C ATOM 0 H ALA A 15 -18.769 -3.315 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.122 -3.308 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.496 -3.813 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.670 -2.478 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.207 -4.104 -0.709 1.00 0.00 H new ATOM 219 N ALA A 16 -17.619 -6.153 -2.984 1.00 0.00 N ATOM 220 CA ALA A 16 -17.528 -7.595 -3.162 1.00 0.00 C ATOM 221 C ALA A 16 -17.237 -7.934 -4.615 1.00 0.00 C ATOM 222 O ALA A 16 -16.349 -8.735 -4.910 1.00 0.00 O ATOM 223 CB ALA A 16 -18.813 -8.268 -2.703 1.00 0.00 C ATOM 0 H ALA A 16 -18.561 -5.812 -2.792 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.706 -7.968 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.729 -9.346 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.981 -8.051 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.651 -7.890 -3.289 1.00 0.00 H new ATOM 229 N HIS A 17 -17.967 -7.295 -5.521 1.00 0.00 N ATOM 230 CA HIS A 17 -17.802 -7.542 -6.940 1.00 0.00 C ATOM 231 C HIS A 17 -16.479 -6.966 -7.431 1.00 0.00 C ATOM 232 O HIS A 17 -15.852 -7.520 -8.331 1.00 0.00 O ATOM 233 CB HIS A 17 -18.970 -6.942 -7.715 1.00 0.00 C ATOM 234 CG HIS A 17 -20.125 -7.883 -7.877 1.00 0.00 C ATOM 235 ND1 HIS A 17 -19.993 -9.182 -8.331 1.00 0.00 N ATOM 236 CD2 HIS A 17 -21.443 -7.711 -7.625 1.00 0.00 C ATOM 237 CE1 HIS A 17 -21.180 -9.762 -8.347 1.00 0.00 C ATOM 238 NE2 HIS A 17 -22.075 -8.891 -7.921 1.00 0.00 N ATOM 0 H HIS A 17 -18.679 -6.601 -5.293 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.788 -8.619 -7.110 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.313 -6.043 -7.202 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.622 -6.633 -8.701 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -19.117 -9.623 -8.610 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -21.911 -6.810 -7.258 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.383 -10.777 -8.656 1.00 0.00 H new ATOM 247 N VAL A 18 -16.054 -5.860 -6.830 1.00 0.00 N ATOM 248 CA VAL A 18 -14.753 -5.283 -7.141 1.00 0.00 C ATOM 249 C VAL A 18 -13.648 -6.236 -6.707 1.00 0.00 C ATOM 250 O VAL A 18 -12.720 -6.511 -7.466 1.00 0.00 O ATOM 251 CB VAL A 18 -14.553 -3.909 -6.462 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.091 -3.481 -6.503 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.430 -2.861 -7.126 1.00 0.00 C ATOM 0 H VAL A 18 -16.589 -5.348 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.710 -5.130 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.846 -4.004 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.982 -2.511 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.481 -4.218 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.762 -3.407 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.279 -1.898 -6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.164 -2.779 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.476 -3.153 -7.037 1.00 0.00 H new ATOM 263 N LYS A 19 -13.767 -6.752 -5.486 1.00 0.00 N ATOM 264 CA LYS A 19 -12.813 -7.727 -4.974 1.00 0.00 C ATOM 265 C LYS A 19 -12.783 -8.960 -5.868 1.00 0.00 C ATOM 266 O LYS A 19 -11.717 -9.492 -6.172 1.00 0.00 O ATOM 267 CB LYS A 19 -13.169 -8.126 -3.538 1.00 0.00 C ATOM 268 CG LYS A 19 -12.263 -9.198 -2.954 1.00 0.00 C ATOM 269 CD LYS A 19 -12.653 -9.542 -1.528 1.00 0.00 C ATOM 270 CE LYS A 19 -13.240 -10.939 -1.430 1.00 0.00 C ATOM 271 NZ LYS A 19 -12.194 -11.989 -1.546 1.00 0.00 N ATOM 0 H LYS A 19 -14.514 -6.510 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.823 -7.270 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.124 -7.241 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.199 -8.482 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.314 -10.094 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.229 -8.853 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.777 -9.469 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.379 -8.815 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.760 -11.048 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.982 -11.077 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.347 -12.713 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.247 -12.429 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.256 -11.560 -1.417 1.00 0.00 H new ATOM 285 N GLU A 20 -13.959 -9.395 -6.298 1.00 0.00 N ATOM 286 CA GLU A 20 -14.076 -10.542 -7.186 1.00 0.00 C ATOM 287 C GLU A 20 -13.382 -10.264 -8.518 1.00 0.00 C ATOM 288 O GLU A 20 -12.621 -11.095 -9.019 1.00 0.00 O ATOM 289 CB GLU A 20 -15.555 -10.884 -7.402 1.00 0.00 C ATOM 290 CG GLU A 20 -15.824 -11.753 -8.619 1.00 0.00 C ATOM 291 CD GLU A 20 -17.305 -11.932 -8.887 1.00 0.00 C ATOM 292 OE1 GLU A 20 -18.005 -10.913 -9.065 1.00 0.00 O ATOM 293 OE2 GLU A 20 -17.776 -13.092 -8.916 1.00 0.00 O ATOM 0 H GLU A 20 -14.850 -8.968 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.584 -11.398 -6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.931 -11.394 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.120 -9.957 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.351 -11.305 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.364 -12.730 -8.473 1.00 0.00 H new ATOM 300 N ALA A 21 -13.614 -9.079 -9.062 1.00 0.00 N ATOM 301 CA ALA A 21 -13.011 -8.691 -10.328 1.00 0.00 C ATOM 302 C ALA A 21 -11.499 -8.629 -10.190 1.00 0.00 C ATOM 303 O ALA A 21 -10.757 -8.959 -11.119 1.00 0.00 O ATOM 304 CB ALA A 21 -13.559 -7.350 -10.790 1.00 0.00 C ATOM 0 H ALA A 21 -14.216 -8.369 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.263 -9.440 -11.079 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.097 -7.075 -11.738 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.639 -7.424 -10.920 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.335 -6.588 -10.043 1.00 0.00 H new ATOM 310 N LEU A 22 -11.054 -8.201 -9.016 1.00 0.00 N ATOM 311 CA LEU A 22 -9.637 -8.137 -8.708 1.00 0.00 C ATOM 312 C LEU A 22 -9.052 -9.538 -8.636 1.00 0.00 C ATOM 313 O LEU A 22 -8.023 -9.826 -9.242 1.00 0.00 O ATOM 314 CB LEU A 22 -9.402 -7.406 -7.384 1.00 0.00 C ATOM 315 CG LEU A 22 -9.435 -5.878 -7.470 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.639 -5.267 -6.091 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.153 -5.357 -8.098 1.00 0.00 C ATOM 0 H LEU A 22 -11.662 -7.891 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.140 -7.582 -9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.158 -7.730 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.434 -7.711 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.275 -5.586 -8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.660 -4.180 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.583 -5.617 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.820 -5.565 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.191 -4.269 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.301 -5.660 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.047 -5.767 -9.102 1.00 0.00 H new ATOM 329 N GLU A 23 -9.736 -10.414 -7.910 1.00 0.00 N ATOM 330 CA GLU A 23 -9.259 -11.775 -7.693 1.00 0.00 C ATOM 331 C GLU A 23 -9.392 -12.617 -8.957 1.00 0.00 C ATOM 332 O GLU A 23 -8.799 -13.694 -9.062 1.00 0.00 O ATOM 333 CB GLU A 23 -10.016 -12.426 -6.537 1.00 0.00 C ATOM 334 CG GLU A 23 -9.562 -11.931 -5.174 1.00 0.00 C ATOM 335 CD GLU A 23 -10.308 -12.586 -4.033 1.00 0.00 C ATOM 336 OE1 GLU A 23 -11.556 -12.566 -4.044 1.00 0.00 O ATOM 337 OE2 GLU A 23 -9.653 -13.135 -3.122 1.00 0.00 O ATOM 0 H GLU A 23 -10.627 -10.205 -7.460 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.201 -11.722 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.082 -12.229 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.884 -13.507 -6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.495 -12.121 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.701 -10.851 -5.120 1.00 0.00 H new ATOM 344 N LYS A 24 -10.163 -12.120 -9.916 1.00 0.00 N ATOM 345 CA LYS A 24 -10.288 -12.772 -11.208 1.00 0.00 C ATOM 346 C LYS A 24 -9.015 -12.554 -12.010 1.00 0.00 C ATOM 347 O LYS A 24 -8.714 -13.296 -12.944 1.00 0.00 O ATOM 348 CB LYS A 24 -11.494 -12.216 -11.969 1.00 0.00 C ATOM 349 CG LYS A 24 -12.779 -12.992 -11.731 1.00 0.00 C ATOM 350 CD LYS A 24 -12.969 -14.088 -12.766 1.00 0.00 C ATOM 351 CE LYS A 24 -14.054 -13.729 -13.768 1.00 0.00 C ATOM 352 NZ LYS A 24 -13.680 -14.114 -15.152 1.00 0.00 N ATOM 0 H LYS A 24 -10.711 -11.265 -9.820 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.440 -13.841 -11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.648 -11.177 -11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.271 -12.218 -13.036 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.760 -13.432 -10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.628 -12.309 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.030 -14.260 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.229 -15.021 -12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.983 -14.228 -13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.244 -12.656 -13.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.446 -13.852 -15.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.808 -13.619 -15.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.524 -15.141 -15.196 1.00 0.00 H new ATOM 366 N VAL A 25 -8.279 -11.520 -11.637 1.00 0.00 N ATOM 367 CA VAL A 25 -6.972 -11.253 -12.206 1.00 0.00 C ATOM 368 C VAL A 25 -5.911 -12.038 -11.437 1.00 0.00 C ATOM 369 O VAL A 25 -5.739 -11.842 -10.234 1.00 0.00 O ATOM 370 CB VAL A 25 -6.643 -9.746 -12.154 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.212 -9.477 -12.606 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.626 -8.957 -13.001 1.00 0.00 C ATOM 0 H VAL A 25 -8.572 -10.844 -10.932 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.979 -11.566 -13.250 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.734 -9.419 -11.118 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.010 -8.407 -12.558 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.518 -10.006 -11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.083 -9.825 -13.631 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.379 -7.897 -12.952 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.569 -9.296 -14.035 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.637 -9.111 -12.624 1.00 0.00 H new ATOM 382 N PRO A 26 -5.188 -12.940 -12.119 1.00 0.00 N ATOM 383 CA PRO A 26 -4.178 -13.796 -11.478 1.00 0.00 C ATOM 384 C PRO A 26 -3.005 -13.004 -10.902 1.00 0.00 C ATOM 385 O PRO A 26 -2.277 -13.494 -10.037 1.00 0.00 O ATOM 386 CB PRO A 26 -3.703 -14.710 -12.611 1.00 0.00 C ATOM 387 CG PRO A 26 -4.050 -13.985 -13.864 1.00 0.00 C ATOM 388 CD PRO A 26 -5.301 -13.211 -13.563 1.00 0.00 C ATOM 0 HA PRO A 26 -4.595 -14.333 -10.626 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.631 -14.894 -12.546 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.196 -15.681 -12.568 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.242 -13.318 -14.165 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.211 -14.682 -14.686 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.354 -12.290 -14.143 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.197 -13.787 -13.796 1.00 0.00 H new ATOM 396 N GLY A 27 -2.830 -11.781 -11.386 1.00 0.00 N ATOM 397 CA GLY A 27 -1.777 -10.921 -10.880 1.00 0.00 C ATOM 398 C GLY A 27 -2.074 -10.422 -9.481 1.00 0.00 C ATOM 399 O GLY A 27 -1.171 -9.994 -8.761 1.00 0.00 O ATOM 0 H GLY A 27 -3.401 -11.368 -12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.833 -11.467 -10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.651 -10.070 -11.549 1.00 0.00 H new ATOM 403 N VAL A 28 -3.342 -10.480 -9.097 1.00 0.00 N ATOM 404 CA VAL A 28 -3.756 -10.076 -7.769 1.00 0.00 C ATOM 405 C VAL A 28 -3.710 -11.272 -6.830 1.00 0.00 C ATOM 406 O VAL A 28 -4.497 -12.211 -6.963 1.00 0.00 O ATOM 407 CB VAL A 28 -5.178 -9.482 -7.784 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.626 -9.096 -6.381 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.245 -8.281 -8.717 1.00 0.00 C ATOM 0 H VAL A 28 -4.102 -10.806 -9.694 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.069 -9.306 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.859 -10.248 -8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.633 -8.680 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.624 -9.979 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.942 -8.352 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.256 -7.875 -8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.546 -7.517 -8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.980 -8.591 -9.728 1.00 0.00 H new ATOM 419 N GLN A 29 -2.778 -11.240 -5.889 1.00 0.00 N ATOM 420 CA GLN A 29 -2.593 -12.341 -4.957 1.00 0.00 C ATOM 421 C GLN A 29 -3.615 -12.266 -3.832 1.00 0.00 C ATOM 422 O GLN A 29 -4.125 -13.289 -3.375 1.00 0.00 O ATOM 423 CB GLN A 29 -1.176 -12.321 -4.387 1.00 0.00 C ATOM 424 CG GLN A 29 -0.095 -12.312 -5.455 1.00 0.00 C ATOM 425 CD GLN A 29 1.298 -12.368 -4.870 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.695 -11.499 -4.098 1.00 0.00 O ATOM 427 NE2 GLN A 29 2.053 -13.389 -5.241 1.00 0.00 N ATOM 0 H GLN A 29 -2.136 -10.460 -5.751 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.740 -13.277 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.059 -11.441 -3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.037 -13.193 -3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.240 -13.162 -6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.195 -11.412 -6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.684 -14.089 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.004 -13.476 -4.883 1.00 0.00 H new ATOM 436 N SER A 30 -3.924 -11.050 -3.399 1.00 0.00 N ATOM 437 CA SER A 30 -4.907 -10.845 -2.346 1.00 0.00 C ATOM 438 C SER A 30 -5.556 -9.476 -2.482 1.00 0.00 C ATOM 439 O SER A 30 -4.875 -8.475 -2.710 1.00 0.00 O ATOM 440 CB SER A 30 -4.249 -10.972 -0.968 1.00 0.00 C ATOM 441 OG SER A 30 -2.850 -11.170 -1.085 1.00 0.00 O ATOM 0 H SER A 30 -3.508 -10.192 -3.761 1.00 0.00 H new ATOM 0 HA SER A 30 -5.676 -11.611 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.444 -10.072 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.693 -11.807 -0.425 1.00 0.00 H new ATOM 0 HG SER A 30 -2.455 -11.246 -0.192 1.00 0.00 H new ATOM 447 N ALA A 31 -6.874 -9.442 -2.365 1.00 0.00 N ATOM 448 CA ALA A 31 -7.615 -8.197 -2.450 1.00 0.00 C ATOM 449 C ALA A 31 -8.300 -7.906 -1.123 1.00 0.00 C ATOM 450 O ALA A 31 -9.400 -8.394 -0.860 1.00 0.00 O ATOM 451 CB ALA A 31 -8.634 -8.260 -3.580 1.00 0.00 C ATOM 0 H ALA A 31 -7.453 -10.267 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.918 -7.387 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.181 -7.318 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.119 -8.431 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.333 -9.076 -3.395 1.00 0.00 H new ATOM 457 N LEU A 32 -7.641 -7.121 -0.285 1.00 0.00 N ATOM 458 CA LEU A 32 -8.176 -6.780 1.022 1.00 0.00 C ATOM 459 C LEU A 32 -9.132 -5.605 0.902 1.00 0.00 C ATOM 460 O LEU A 32 -8.818 -4.483 1.304 1.00 0.00 O ATOM 461 CB LEU A 32 -7.043 -6.444 1.997 1.00 0.00 C ATOM 462 CG LEU A 32 -6.197 -7.635 2.442 1.00 0.00 C ATOM 463 CD1 LEU A 32 -4.802 -7.552 1.842 1.00 0.00 C ATOM 464 CD2 LEU A 32 -6.124 -7.696 3.959 1.00 0.00 C ATOM 0 H LEU A 32 -6.731 -6.707 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.720 -7.641 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.389 -5.708 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.473 -5.973 2.881 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.670 -8.549 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.213 -8.409 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.873 -7.555 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.318 -6.632 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.518 -8.550 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.673 -6.779 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.129 -7.802 4.368 1.00 0.00 H new ATOM 476 N VAL A 33 -10.292 -5.861 0.320 1.00 0.00 N ATOM 477 CA VAL A 33 -11.292 -4.827 0.144 1.00 0.00 C ATOM 478 C VAL A 33 -11.958 -4.499 1.473 1.00 0.00 C ATOM 479 O VAL A 33 -12.143 -5.368 2.323 1.00 0.00 O ATOM 480 CB VAL A 33 -12.352 -5.228 -0.909 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.407 -6.162 -0.326 1.00 0.00 C ATOM 482 CG2 VAL A 33 -13.002 -3.993 -1.510 1.00 0.00 C ATOM 0 H VAL A 33 -10.562 -6.777 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.783 -3.936 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.837 -5.773 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.132 -6.419 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.927 -7.070 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.917 -5.665 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.745 -4.295 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.487 -3.417 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.241 -3.379 -1.991 1.00 0.00 H new ATOM 492 N SER A 34 -12.276 -3.234 1.655 1.00 0.00 N ATOM 493 CA SER A 34 -12.925 -2.768 2.866 1.00 0.00 C ATOM 494 C SER A 34 -14.211 -2.025 2.518 1.00 0.00 C ATOM 495 O SER A 34 -14.194 -0.818 2.251 1.00 0.00 O ATOM 496 CB SER A 34 -11.976 -1.861 3.648 1.00 0.00 C ATOM 497 OG SER A 34 -10.624 -2.175 3.357 1.00 0.00 O ATOM 0 H SER A 34 -12.093 -2.500 0.970 1.00 0.00 H new ATOM 0 HA SER A 34 -13.180 -3.626 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.174 -0.819 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.158 -1.972 4.717 1.00 0.00 H new ATOM 0 HG SER A 34 -10.033 -1.582 3.867 1.00 0.00 H new ATOM 503 N TYR A 35 -15.323 -2.753 2.519 1.00 0.00 N ATOM 504 CA TYR A 35 -16.613 -2.196 2.178 1.00 0.00 C ATOM 505 C TYR A 35 -17.034 -1.020 3.086 1.00 0.00 C ATOM 506 O TYR A 35 -17.560 -0.035 2.570 1.00 0.00 O ATOM 507 CB TYR A 35 -17.679 -3.301 2.097 1.00 0.00 C ATOM 508 CG TYR A 35 -18.245 -3.806 3.411 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.360 -3.210 3.988 1.00 0.00 C ATOM 510 CD2 TYR A 35 -17.670 -4.890 4.063 1.00 0.00 C ATOM 511 CE1 TYR A 35 -19.885 -3.681 5.178 1.00 0.00 C ATOM 512 CE2 TYR A 35 -18.189 -5.367 5.252 1.00 0.00 C ATOM 513 CZ TYR A 35 -19.295 -4.759 5.807 1.00 0.00 C ATOM 514 OH TYR A 35 -19.811 -5.229 6.996 1.00 0.00 O ATOM 0 H TYR A 35 -15.348 -3.745 2.757 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.518 -1.755 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.506 -2.931 1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.249 -4.149 1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.824 -2.366 3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.802 -5.368 3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -20.753 -3.207 5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -17.730 -6.212 5.744 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.279 -5.992 7.304 1.00 0.00 H new ATOM 524 N PRO A 36 -16.822 -1.066 4.433 1.00 0.00 N ATOM 525 CA PRO A 36 -17.237 0.031 5.314 1.00 0.00 C ATOM 526 C PRO A 36 -16.348 1.264 5.158 1.00 0.00 C ATOM 527 O PRO A 36 -16.680 2.346 5.642 1.00 0.00 O ATOM 528 CB PRO A 36 -17.096 -0.545 6.735 1.00 0.00 C ATOM 529 CG PRO A 36 -16.788 -1.996 6.561 1.00 0.00 C ATOM 530 CD PRO A 36 -16.161 -2.131 5.205 1.00 0.00 C ATOM 0 HA PRO A 36 -18.248 0.364 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.301 -0.040 7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -18.015 -0.407 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.111 -2.346 7.340 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.694 -2.598 6.633 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.081 -1.992 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.341 -3.115 4.772 1.00 0.00 H new ATOM 538 N LYS A 37 -15.220 1.094 4.477 1.00 0.00 N ATOM 539 CA LYS A 37 -14.268 2.173 4.305 1.00 0.00 C ATOM 540 C LYS A 37 -14.336 2.732 2.889 1.00 0.00 C ATOM 541 O LYS A 37 -14.066 3.908 2.660 1.00 0.00 O ATOM 542 CB LYS A 37 -12.857 1.669 4.601 1.00 0.00 C ATOM 543 CG LYS A 37 -12.443 1.813 6.056 1.00 0.00 C ATOM 544 CD LYS A 37 -12.231 0.458 6.710 1.00 0.00 C ATOM 545 CE LYS A 37 -10.854 0.355 7.344 1.00 0.00 C ATOM 546 NZ LYS A 37 -9.954 -0.546 6.580 1.00 0.00 N ATOM 0 H LYS A 37 -14.947 0.216 4.036 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.519 2.973 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.790 0.619 4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.149 2.214 3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.524 2.396 6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.209 2.365 6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.996 0.296 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.350 -0.329 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.407 1.348 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.952 -0.012 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.026 -0.587 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.366 -1.500 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.839 -0.183 5.612 1.00 0.00 H new ATOM 560 N GLY A 38 -14.708 1.883 1.942 1.00 0.00 N ATOM 561 CA GLY A 38 -14.752 2.293 0.553 1.00 0.00 C ATOM 562 C GLY A 38 -13.388 2.204 -0.101 1.00 0.00 C ATOM 563 O GLY A 38 -13.104 2.909 -1.072 1.00 0.00 O ATOM 0 H GLY A 38 -14.981 0.915 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.458 1.664 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.121 3.316 0.487 1.00 0.00 H new ATOM 567 N THR A 39 -12.542 1.335 0.433 1.00 0.00 N ATOM 568 CA THR A 39 -11.188 1.178 -0.076 1.00 0.00 C ATOM 569 C THR A 39 -10.872 -0.293 -0.334 1.00 0.00 C ATOM 570 O THR A 39 -11.575 -1.174 0.154 1.00 0.00 O ATOM 571 CB THR A 39 -10.159 1.749 0.918 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.824 2.197 2.106 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.390 2.905 0.300 1.00 0.00 C ATOM 0 H THR A 39 -12.770 0.727 1.220 1.00 0.00 H new ATOM 0 HA THR A 39 -11.125 1.729 -1.014 1.00 0.00 H new ATOM 0 HB THR A 39 -9.453 0.957 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.164 2.557 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.670 3.290 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.863 2.558 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.085 3.697 0.023 1.00 0.00 H new ATOM 581 N ALA A 40 -9.829 -0.550 -1.111 1.00 0.00 N ATOM 582 CA ALA A 40 -9.398 -1.911 -1.397 1.00 0.00 C ATOM 583 C ALA A 40 -7.879 -2.009 -1.369 1.00 0.00 C ATOM 584 O ALA A 40 -7.197 -1.396 -2.190 1.00 0.00 O ATOM 585 CB ALA A 40 -9.936 -2.360 -2.748 1.00 0.00 C ATOM 0 H ALA A 40 -9.263 0.171 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.797 -2.570 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.607 -3.379 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.025 -2.326 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.562 -1.696 -3.527 1.00 0.00 H new ATOM 591 N GLN A 41 -7.355 -2.769 -0.421 1.00 0.00 N ATOM 592 CA GLN A 41 -5.917 -2.955 -0.305 1.00 0.00 C ATOM 593 C GLN A 41 -5.469 -4.120 -1.180 1.00 0.00 C ATOM 594 O GLN A 41 -5.707 -5.284 -0.853 1.00 0.00 O ATOM 595 CB GLN A 41 -5.527 -3.207 1.152 1.00 0.00 C ATOM 596 CG GLN A 41 -4.435 -2.283 1.656 1.00 0.00 C ATOM 597 CD GLN A 41 -3.048 -2.862 1.468 1.00 0.00 C ATOM 598 OE1 GLN A 41 -2.473 -2.795 0.380 1.00 0.00 O ATOM 599 NE2 GLN A 41 -2.503 -3.437 2.525 1.00 0.00 N ATOM 0 H GLN A 41 -7.904 -3.267 0.280 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.419 -2.047 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.409 -3.090 1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.195 -4.240 1.257 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.501 -1.330 1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.598 -2.077 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.014 -3.471 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.571 -3.847 2.459 1.00 0.00 H new ATOM 608 N LEU A 42 -4.824 -3.807 -2.290 1.00 0.00 N ATOM 609 CA LEU A 42 -4.442 -4.828 -3.254 1.00 0.00 C ATOM 610 C LEU A 42 -3.009 -5.297 -3.033 1.00 0.00 C ATOM 611 O LEU A 42 -2.083 -4.486 -2.914 1.00 0.00 O ATOM 612 CB LEU A 42 -4.605 -4.314 -4.688 1.00 0.00 C ATOM 613 CG LEU A 42 -5.028 -2.851 -4.821 1.00 0.00 C ATOM 614 CD1 LEU A 42 -3.943 -2.047 -5.518 1.00 0.00 C ATOM 615 CD2 LEU A 42 -6.344 -2.750 -5.579 1.00 0.00 C ATOM 0 H LEU A 42 -4.554 -2.858 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.108 -5.678 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.659 -4.449 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.343 -4.935 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.173 -2.436 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.259 -1.008 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.022 -2.099 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.768 -2.457 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.634 -1.703 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.224 -3.178 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.117 -3.297 -5.040 1.00 0.00 H new ATOM 627 N ALA A 43 -2.842 -6.609 -2.964 1.00 0.00 N ATOM 628 CA ALA A 43 -1.529 -7.218 -2.915 1.00 0.00 C ATOM 629 C ALA A 43 -1.298 -7.970 -4.213 1.00 0.00 C ATOM 630 O ALA A 43 -1.807 -9.077 -4.399 1.00 0.00 O ATOM 631 CB ALA A 43 -1.413 -8.148 -1.717 1.00 0.00 C ATOM 0 H ALA A 43 -3.613 -7.277 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.767 -6.447 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.419 -8.595 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.573 -7.581 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.164 -8.935 -1.793 1.00 0.00 H new ATOM 637 N ILE A 44 -0.566 -7.351 -5.123 1.00 0.00 N ATOM 638 CA ILE A 44 -0.387 -7.902 -6.457 1.00 0.00 C ATOM 639 C ILE A 44 1.074 -8.233 -6.723 1.00 0.00 C ATOM 640 O ILE A 44 1.963 -7.779 -6.001 1.00 0.00 O ATOM 641 CB ILE A 44 -0.895 -6.932 -7.552 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.050 -5.645 -7.583 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.372 -6.619 -7.347 1.00 0.00 C ATOM 644 CD1 ILE A 44 -0.617 -4.499 -6.767 1.00 0.00 C ATOM 0 H ILE A 44 -0.085 -6.466 -4.963 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.978 -8.817 -6.498 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.786 -7.421 -8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.951 -5.874 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.055 -5.320 -8.618 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.711 -5.936 -8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.950 -7.542 -7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.514 -6.155 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.042 -3.635 -6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.605 -4.237 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.696 -4.800 -5.722 1.00 0.00 H new ATOM 656 N VAL A 45 1.311 -9.021 -7.762 1.00 0.00 N ATOM 657 CA VAL A 45 2.663 -9.367 -8.166 1.00 0.00 C ATOM 658 C VAL A 45 3.329 -8.166 -8.828 1.00 0.00 C ATOM 659 O VAL A 45 2.778 -7.595 -9.772 1.00 0.00 O ATOM 660 CB VAL A 45 2.674 -10.555 -9.153 1.00 0.00 C ATOM 661 CG1 VAL A 45 4.091 -11.055 -9.388 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.788 -11.684 -8.647 1.00 0.00 C ATOM 0 H VAL A 45 0.580 -9.433 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 45 3.212 -9.656 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 45 2.275 -10.204 -10.105 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.071 -11.891 -10.087 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.697 -10.250 -9.804 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.523 -11.383 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.810 -12.510 -9.357 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.153 -12.027 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.765 -11.324 -8.541 1.00 0.00 H new ATOM 672 N PRO A 46 4.501 -7.746 -8.322 1.00 0.00 N ATOM 673 CA PRO A 46 5.259 -6.635 -8.903 1.00 0.00 C ATOM 674 C PRO A 46 5.482 -6.835 -10.401 1.00 0.00 C ATOM 675 O PRO A 46 6.148 -7.782 -10.819 1.00 0.00 O ATOM 676 CB PRO A 46 6.586 -6.673 -8.144 1.00 0.00 C ATOM 677 CG PRO A 46 6.261 -7.322 -6.845 1.00 0.00 C ATOM 678 CD PRO A 46 5.172 -8.315 -7.139 1.00 0.00 C ATOM 0 HA PRO A 46 4.741 -5.681 -8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.339 -7.239 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.986 -5.670 -7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.137 -7.817 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.930 -6.585 -6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.577 -9.306 -7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.485 -8.419 -6.299 1.00 0.00 H new ATOM 686 N GLY A 47 4.903 -5.954 -11.200 1.00 0.00 N ATOM 687 CA GLY A 47 4.951 -6.107 -12.639 1.00 0.00 C ATOM 688 C GLY A 47 3.566 -6.009 -13.236 1.00 0.00 C ATOM 689 O GLY A 47 3.400 -5.642 -14.400 1.00 0.00 O ATOM 0 H GLY A 47 4.397 -5.130 -10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.593 -5.338 -13.070 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.394 -7.070 -12.892 1.00 0.00 H new ATOM 693 N THR A 48 2.564 -6.353 -12.434 1.00 0.00 N ATOM 694 CA THR A 48 1.177 -6.188 -12.832 1.00 0.00 C ATOM 695 C THR A 48 0.784 -4.720 -12.743 1.00 0.00 C ATOM 696 O THR A 48 1.021 -4.067 -11.723 1.00 0.00 O ATOM 697 CB THR A 48 0.238 -7.038 -11.952 1.00 0.00 C ATOM 698 OG1 THR A 48 0.895 -8.258 -11.567 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.054 -7.364 -12.688 1.00 0.00 C ATOM 0 H THR A 48 2.691 -6.749 -11.502 1.00 0.00 H new ATOM 0 HA THR A 48 1.077 -6.530 -13.862 1.00 0.00 H new ATOM 0 HB THR A 48 -0.008 -6.459 -11.062 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.405 -8.109 -10.744 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.698 -7.964 -12.045 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.566 -6.439 -12.952 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.825 -7.923 -13.595 1.00 0.00 H new ATOM 707 N SER A 49 0.205 -4.202 -13.816 1.00 0.00 N ATOM 708 CA SER A 49 -0.160 -2.801 -13.878 1.00 0.00 C ATOM 709 C SER A 49 -1.405 -2.520 -13.041 1.00 0.00 C ATOM 710 O SER A 49 -2.479 -3.058 -13.309 1.00 0.00 O ATOM 711 CB SER A 49 -0.406 -2.386 -15.329 1.00 0.00 C ATOM 712 OG SER A 49 0.400 -3.134 -16.226 1.00 0.00 O ATOM 0 H SER A 49 -0.021 -4.735 -14.656 1.00 0.00 H new ATOM 0 HA SER A 49 0.666 -2.218 -13.470 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.458 -2.530 -15.577 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.193 -1.323 -15.446 1.00 0.00 H new ATOM 0 HG SER A 49 0.219 -2.847 -17.145 1.00 0.00 H new ATOM 718 N PRO A 50 -1.282 -1.668 -12.013 1.00 0.00 N ATOM 719 CA PRO A 50 -2.404 -1.308 -11.148 1.00 0.00 C ATOM 720 C PRO A 50 -3.414 -0.424 -11.864 1.00 0.00 C ATOM 721 O PRO A 50 -4.589 -0.379 -11.496 1.00 0.00 O ATOM 722 CB PRO A 50 -1.756 -0.554 -9.977 1.00 0.00 C ATOM 723 CG PRO A 50 -0.282 -0.753 -10.134 1.00 0.00 C ATOM 724 CD PRO A 50 -0.043 -1.002 -11.595 1.00 0.00 C ATOM 0 HA PRO A 50 -2.964 -2.187 -10.828 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.013 0.505 -10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.104 -0.943 -9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.267 0.125 -9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.062 -1.596 -9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.123 -0.074 -12.142 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.831 -1.631 -11.761 1.00 0.00 H new ATOM 732 N ASP A 51 -2.952 0.241 -12.917 1.00 0.00 N ATOM 733 CA ASP A 51 -3.800 1.101 -13.730 1.00 0.00 C ATOM 734 C ASP A 51 -4.778 0.237 -14.499 1.00 0.00 C ATOM 735 O ASP A 51 -5.850 0.680 -14.908 1.00 0.00 O ATOM 736 CB ASP A 51 -2.932 1.922 -14.691 1.00 0.00 C ATOM 737 CG ASP A 51 -3.716 2.550 -15.830 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.288 3.645 -15.628 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.780 1.950 -16.925 1.00 0.00 O ATOM 0 H ASP A 51 -1.982 0.199 -13.229 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.355 1.791 -13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.428 2.709 -14.130 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.156 1.279 -15.106 1.00 0.00 H new ATOM 744 N ALA A 52 -4.409 -1.025 -14.648 1.00 0.00 N ATOM 745 CA ALA A 52 -5.243 -1.973 -15.357 1.00 0.00 C ATOM 746 C ALA A 52 -6.426 -2.372 -14.490 1.00 0.00 C ATOM 747 O ALA A 52 -7.514 -2.643 -14.989 1.00 0.00 O ATOM 748 CB ALA A 52 -4.438 -3.195 -15.775 1.00 0.00 C ATOM 0 H ALA A 52 -3.538 -1.413 -14.287 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.620 -1.499 -16.263 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.085 -3.893 -16.306 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.622 -2.887 -16.429 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.029 -3.681 -14.890 1.00 0.00 H new ATOM 754 N LEU A 53 -6.208 -2.373 -13.182 1.00 0.00 N ATOM 755 CA LEU A 53 -7.262 -2.679 -12.228 1.00 0.00 C ATOM 756 C LEU A 53 -8.231 -1.509 -12.156 1.00 0.00 C ATOM 757 O LEU A 53 -9.453 -1.690 -12.168 1.00 0.00 O ATOM 758 CB LEU A 53 -6.669 -2.958 -10.843 1.00 0.00 C ATOM 759 CG LEU A 53 -5.409 -3.831 -10.829 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.719 -3.749 -9.473 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.757 -5.273 -11.168 1.00 0.00 C ATOM 0 H LEU A 53 -5.305 -2.164 -12.757 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.793 -3.572 -12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.435 -2.005 -10.368 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.431 -3.440 -10.231 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.720 -3.457 -11.587 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.826 -4.375 -9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.436 -2.716 -9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.400 -4.098 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.851 -5.879 -11.154 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.464 -5.659 -10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.206 -5.315 -12.160 1.00 0.00 H new ATOM 773 N THR A 54 -7.672 -0.305 -12.107 1.00 0.00 N ATOM 774 CA THR A 54 -8.470 0.909 -12.100 1.00 0.00 C ATOM 775 C THR A 54 -9.346 0.973 -13.348 1.00 0.00 C ATOM 776 O THR A 54 -10.557 1.190 -13.262 1.00 0.00 O ATOM 777 CB THR A 54 -7.572 2.162 -12.035 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.218 1.774 -11.784 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.036 3.117 -10.945 1.00 0.00 C ATOM 0 H THR A 54 -6.665 -0.147 -12.071 1.00 0.00 H new ATOM 0 HA THR A 54 -9.103 0.888 -11.213 1.00 0.00 H new ATOM 0 HB THR A 54 -7.639 2.676 -12.994 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.668 2.574 -11.650 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.384 3.990 -10.924 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.059 3.433 -11.150 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.999 2.613 -9.979 1.00 0.00 H new ATOM 787 N ALA A 55 -8.729 0.751 -14.505 1.00 0.00 N ATOM 788 CA ALA A 55 -9.445 0.757 -15.772 1.00 0.00 C ATOM 789 C ALA A 55 -10.440 -0.392 -15.849 1.00 0.00 C ATOM 790 O ALA A 55 -11.501 -0.259 -16.455 1.00 0.00 O ATOM 791 CB ALA A 55 -8.469 0.698 -16.936 1.00 0.00 C ATOM 0 H ALA A 55 -7.730 0.564 -14.589 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.006 1.689 -15.835 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.022 0.703 -17.875 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.807 1.563 -16.900 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.877 -0.215 -16.869 1.00 0.00 H new ATOM 797 N ALA A 56 -10.096 -1.521 -15.233 1.00 0.00 N ATOM 798 CA ALA A 56 -10.993 -2.668 -15.198 1.00 0.00 C ATOM 799 C ALA A 56 -12.265 -2.340 -14.429 1.00 0.00 C ATOM 800 O ALA A 56 -13.366 -2.647 -14.880 1.00 0.00 O ATOM 801 CB ALA A 56 -10.305 -3.879 -14.584 1.00 0.00 C ATOM 0 H ALA A 56 -9.207 -1.663 -14.754 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.263 -2.909 -16.226 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.996 -4.722 -14.570 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.428 -4.139 -15.177 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.997 -3.645 -13.565 1.00 0.00 H new ATOM 807 N VAL A 57 -12.115 -1.700 -13.271 1.00 0.00 N ATOM 808 CA VAL A 57 -13.269 -1.325 -12.462 1.00 0.00 C ATOM 809 C VAL A 57 -14.038 -0.175 -13.116 1.00 0.00 C ATOM 810 O VAL A 57 -15.269 -0.183 -13.151 1.00 0.00 O ATOM 811 CB VAL A 57 -12.867 -0.935 -11.030 1.00 0.00 C ATOM 812 CG1 VAL A 57 -14.092 -0.587 -10.197 1.00 0.00 C ATOM 813 CG2 VAL A 57 -12.077 -2.055 -10.371 1.00 0.00 C ATOM 0 H VAL A 57 -11.213 -1.433 -12.876 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.914 -2.202 -12.402 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.232 -0.051 -11.087 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.781 -0.315 -9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.616 0.252 -10.654 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.758 -1.449 -10.151 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.802 -1.759 -9.359 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.688 -2.957 -10.332 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.174 -2.252 -10.949 1.00 0.00 H new ATOM 823 N ALA A 58 -13.311 0.806 -13.648 1.00 0.00 N ATOM 824 CA ALA A 58 -13.937 1.922 -14.351 1.00 0.00 C ATOM 825 C ALA A 58 -14.632 1.446 -15.624 1.00 0.00 C ATOM 826 O ALA A 58 -15.578 2.068 -16.104 1.00 0.00 O ATOM 827 CB ALA A 58 -12.904 2.992 -14.677 1.00 0.00 C ATOM 0 H ALA A 58 -12.293 0.850 -13.606 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.692 2.355 -13.695 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.387 3.817 -15.201 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.458 3.361 -13.753 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.126 2.566 -15.311 1.00 0.00 H new ATOM 833 N GLY A 59 -14.153 0.336 -16.161 1.00 0.00 N ATOM 834 CA GLY A 59 -14.752 -0.239 -17.347 1.00 0.00 C ATOM 835 C GLY A 59 -15.830 -1.245 -17.004 1.00 0.00 C ATOM 836 O GLY A 59 -16.470 -1.811 -17.889 1.00 0.00 O ATOM 0 H GLY A 59 -13.354 -0.181 -15.794 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.178 0.555 -17.960 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.980 -0.724 -17.945 1.00 0.00 H new ATOM 840 N LEU A 60 -16.034 -1.463 -15.711 1.00 0.00 N ATOM 841 CA LEU A 60 -17.042 -2.401 -15.234 1.00 0.00 C ATOM 842 C LEU A 60 -18.380 -1.706 -15.065 1.00 0.00 C ATOM 843 O LEU A 60 -19.352 -2.301 -14.600 1.00 0.00 O ATOM 844 CB LEU A 60 -16.613 -3.004 -13.898 1.00 0.00 C ATOM 845 CG LEU A 60 -16.137 -4.452 -13.946 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.276 -4.755 -12.732 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.322 -5.402 -14.010 1.00 0.00 C ATOM 0 H LEU A 60 -15.510 -0.999 -14.969 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.144 -3.195 -15.974 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.812 -2.391 -13.485 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.452 -2.940 -13.206 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.538 -4.595 -14.846 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.940 -5.791 -12.774 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.410 -4.093 -12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.859 -4.599 -11.824 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.962 -6.430 -14.044 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.947 -5.265 -13.127 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.908 -5.193 -14.905 1.00 0.00 H new ATOM 859 N GLY A 61 -18.419 -0.448 -15.454 1.00 0.00 N ATOM 860 CA GLY A 61 -19.596 0.364 -15.234 1.00 0.00 C ATOM 861 C GLY A 61 -19.559 1.009 -13.868 1.00 0.00 C ATOM 862 O GLY A 61 -20.540 1.597 -13.413 1.00 0.00 O ATOM 0 H GLY A 61 -17.651 0.032 -15.923 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.660 1.134 -16.003 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.490 -0.253 -15.325 1.00 0.00 H new ATOM 866 N TYR A 62 -18.411 0.881 -13.213 1.00 0.00 N ATOM 867 CA TYR A 62 -18.190 1.461 -11.903 1.00 0.00 C ATOM 868 C TYR A 62 -17.102 2.523 -11.996 1.00 0.00 C ATOM 869 O TYR A 62 -16.726 2.929 -13.096 1.00 0.00 O ATOM 870 CB TYR A 62 -17.782 0.368 -10.915 1.00 0.00 C ATOM 871 CG TYR A 62 -18.848 -0.678 -10.671 1.00 0.00 C ATOM 872 CD1 TYR A 62 -20.175 -0.314 -10.471 1.00 0.00 C ATOM 873 CD2 TYR A 62 -18.527 -2.030 -10.626 1.00 0.00 C ATOM 874 CE1 TYR A 62 -21.149 -1.265 -10.237 1.00 0.00 C ATOM 875 CE2 TYR A 62 -19.496 -2.986 -10.389 1.00 0.00 C ATOM 876 CZ TYR A 62 -20.804 -2.598 -10.193 1.00 0.00 C ATOM 877 OH TYR A 62 -21.774 -3.545 -9.951 1.00 0.00 O ATOM 0 H TYR A 62 -17.608 0.370 -13.580 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.111 1.925 -11.549 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.884 -0.125 -11.287 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.521 0.833 -9.964 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.449 0.730 -10.499 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.503 -2.338 -10.779 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -22.176 -0.965 -10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.230 -4.032 -10.357 1.00 0.00 H new ATOM 0 HH TYR A 62 -21.368 -4.437 -9.953 1.00 0.00 H new ATOM 887 N LYS A 63 -16.597 2.988 -10.861 1.00 0.00 N ATOM 888 CA LYS A 63 -15.522 3.964 -10.871 1.00 0.00 C ATOM 889 C LYS A 63 -14.445 3.575 -9.873 1.00 0.00 C ATOM 890 O LYS A 63 -14.724 3.367 -8.692 1.00 0.00 O ATOM 891 CB LYS A 63 -16.059 5.359 -10.547 1.00 0.00 C ATOM 892 CG LYS A 63 -15.972 6.327 -11.712 1.00 0.00 C ATOM 893 CD LYS A 63 -14.737 7.207 -11.613 1.00 0.00 C ATOM 894 CE LYS A 63 -15.112 8.667 -11.435 1.00 0.00 C ATOM 895 NZ LYS A 63 -15.421 9.326 -12.731 1.00 0.00 N ATOM 0 H LYS A 63 -16.912 2.707 -9.932 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.086 3.982 -11.870 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.099 5.275 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.502 5.767 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.949 5.770 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.865 6.952 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.123 6.882 -10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.133 7.092 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.977 8.741 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.293 9.195 -10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.672 10.321 -12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.588 9.279 -13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.220 8.840 -13.186 1.00 0.00 H new ATOM 909 N ALA A 64 -13.221 3.456 -10.349 1.00 0.00 N ATOM 910 CA ALA A 64 -12.111 3.142 -9.473 1.00 0.00 C ATOM 911 C ALA A 64 -11.138 4.307 -9.383 1.00 0.00 C ATOM 912 O ALA A 64 -10.739 4.876 -10.399 1.00 0.00 O ATOM 913 CB ALA A 64 -11.395 1.892 -9.951 1.00 0.00 C ATOM 0 H ALA A 64 -12.971 3.571 -11.331 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.511 2.957 -8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.564 1.670 -9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.091 1.053 -9.955 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.015 2.054 -10.960 1.00 0.00 H new ATOM 919 N THR A 65 -10.783 4.668 -8.164 1.00 0.00 N ATOM 920 CA THR A 65 -9.719 5.623 -7.926 1.00 0.00 C ATOM 921 C THR A 65 -8.633 4.928 -7.116 1.00 0.00 C ATOM 922 O THR A 65 -8.691 3.713 -6.938 1.00 0.00 O ATOM 923 CB THR A 65 -10.228 6.873 -7.182 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.464 6.585 -6.510 1.00 0.00 O ATOM 925 CG2 THR A 65 -10.432 8.030 -8.150 1.00 0.00 C ATOM 0 H THR A 65 -11.222 4.309 -7.316 1.00 0.00 H new ATOM 0 HA THR A 65 -9.324 5.965 -8.883 1.00 0.00 H new ATOM 0 HB THR A 65 -9.476 7.158 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.166 6.419 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.792 8.902 -7.604 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.486 8.270 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.165 7.747 -8.905 1.00 0.00 H new ATOM 933 N LEU A 66 -7.659 5.663 -6.609 1.00 0.00 N ATOM 934 CA LEU A 66 -6.575 5.032 -5.867 1.00 0.00 C ATOM 935 C LEU A 66 -5.948 5.995 -4.871 1.00 0.00 C ATOM 936 O LEU A 66 -5.738 7.171 -5.172 1.00 0.00 O ATOM 937 CB LEU A 66 -5.507 4.495 -6.828 1.00 0.00 C ATOM 938 CG LEU A 66 -4.574 5.546 -7.438 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.119 5.155 -7.224 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.866 5.726 -8.921 1.00 0.00 C ATOM 0 H LEU A 66 -7.593 6.677 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.000 4.198 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.900 3.763 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.007 3.965 -7.639 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.753 6.497 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.470 5.913 -7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.916 5.079 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.927 4.193 -7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.193 6.476 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.717 4.779 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.898 6.052 -9.052 1.00 0.00 H new ATOM 952 N ALA A 67 -5.666 5.490 -3.683 1.00 0.00 N ATOM 953 CA ALA A 67 -5.011 6.278 -2.655 1.00 0.00 C ATOM 954 C ALA A 67 -3.702 5.618 -2.242 1.00 0.00 C ATOM 955 O ALA A 67 -3.662 4.422 -1.949 1.00 0.00 O ATOM 956 CB ALA A 67 -5.926 6.451 -1.452 1.00 0.00 C ATOM 0 H ALA A 67 -5.882 4.532 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.790 7.266 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.419 7.044 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.839 6.960 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.177 5.473 -1.042 1.00 0.00 H new ATOM 962 N ASP A 68 -2.630 6.384 -2.253 1.00 0.00 N ATOM 963 CA ASP A 68 -1.344 5.883 -1.825 1.00 0.00 C ATOM 964 C ASP A 68 -0.964 6.466 -0.470 1.00 0.00 C ATOM 965 O ASP A 68 -1.375 7.583 -0.139 1.00 0.00 O ATOM 966 CB ASP A 68 -0.267 6.189 -2.867 1.00 0.00 C ATOM 967 CG ASP A 68 1.047 5.503 -2.553 1.00 0.00 C ATOM 968 OD1 ASP A 68 1.022 4.416 -1.941 1.00 0.00 O ATOM 969 OD2 ASP A 68 2.110 6.058 -2.909 1.00 0.00 O ATOM 0 H ASP A 68 -2.626 7.358 -2.555 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.418 4.800 -1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.615 5.871 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.109 7.266 -2.918 1.00 0.00 H new ATOM 974 N ALA A 69 -0.199 5.697 0.304 1.00 0.00 N ATOM 975 CA ALA A 69 0.296 6.118 1.617 1.00 0.00 C ATOM 976 C ALA A 69 -0.830 6.232 2.644 1.00 0.00 C ATOM 977 O ALA A 69 -0.536 6.550 3.814 1.00 0.00 O ATOM 978 CB ALA A 69 1.063 7.434 1.511 1.00 0.00 C ATOM 979 OXT ALA A 69 -2.004 5.987 2.285 1.00 0.00 O ATOM 0 H ALA A 69 0.097 4.758 0.037 1.00 0.00 H new ATOM 0 HA ALA A 69 0.979 5.344 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.421 7.727 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.912 7.307 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.404 8.209 1.119 1.00 0.00 H new TER 985 ALA A 69