USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 564 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 HIS : no HE2:sc= -0.794 K(o=-0.79,f=-2.3) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 40 THR OG1 : rot -130:sc= 0.337 USER MOD Set 2.2: A 58 LYS NZ :NH3+ -171:sc= -0.44! (180deg=-0.623!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -59:sc= 0.00837 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.0039) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.88) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -3.67! K(o=-3.7!,f=-1.5) USER MOD Single : A 26 THR OG1 : rot -34:sc= 0.95 USER MOD Single : A 27 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 152:sc= -0.492 (180deg=-1.77!) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= -0.486 (180deg=-0.53) USER MOD Single : A 33 MET CE :methyl -137:sc= -0.0967 (180deg=-0.955) USER MOD Single : A 37 GLN : amide:sc= -3.67! K(o=-3.7!,f=-2.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0117 (180deg=-0.163) USER MOD Single : A 47 HIS : no HD1:sc= -2.14! K(o=-2.1!,f=-1) USER MOD Single : A 53 THR OG1 : rot 103:sc= 1.32 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.38) USER MOD Single : A 68 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.072) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0937 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.737 -22.291 -9.175 1.00 0.00 N ATOM 2 CA GLY A 1 -32.079 -21.274 -9.975 1.00 0.00 C ATOM 3 C GLY A 1 -32.273 -21.491 -11.462 1.00 0.00 C ATOM 4 O GLY A 1 -33.403 -21.599 -11.938 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.575 -22.098 -8.166 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.759 -22.279 -9.370 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.350 -23.226 -9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.467 -20.293 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.013 -21.270 -9.747 1.00 0.00 H new ATOM 8 N SER A 2 -31.169 -21.553 -12.199 1.00 0.00 N ATOM 9 CA SER A 2 -31.223 -21.752 -13.642 1.00 0.00 C ATOM 10 C SER A 2 -32.050 -20.658 -14.311 1.00 0.00 C ATOM 11 O SER A 2 -32.827 -20.925 -15.227 1.00 0.00 O ATOM 12 CB SER A 2 -31.815 -23.125 -13.967 1.00 0.00 C ATOM 13 OG SER A 2 -31.443 -23.546 -15.268 1.00 0.00 O ATOM 0 H SER A 2 -30.226 -21.468 -11.820 1.00 0.00 H new ATOM 0 HA SER A 2 -30.205 -21.702 -14.029 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.473 -23.855 -13.233 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.902 -23.083 -13.892 1.00 0.00 H new ATOM 0 HG SER A 2 -31.765 -22.896 -15.927 1.00 0.00 H new ATOM 19 N SER A 3 -31.875 -19.425 -13.846 1.00 0.00 N ATOM 20 CA SER A 3 -32.607 -18.290 -14.396 1.00 0.00 C ATOM 21 C SER A 3 -32.101 -17.942 -15.792 1.00 0.00 C ATOM 22 O SER A 3 -30.951 -18.217 -16.135 1.00 0.00 O ATOM 23 CB SER A 3 -32.473 -17.075 -13.475 1.00 0.00 C ATOM 24 OG SER A 3 -33.518 -16.146 -13.701 1.00 0.00 O ATOM 0 H SER A 3 -31.233 -19.187 -13.090 1.00 0.00 H new ATOM 0 HA SER A 3 -33.658 -18.568 -14.469 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.490 -17.400 -12.435 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.510 -16.592 -13.643 1.00 0.00 H new ATOM 0 HG SER A 3 -33.411 -15.380 -13.099 1.00 0.00 H new ATOM 30 N GLY A 4 -32.969 -17.334 -16.595 1.00 0.00 N ATOM 31 CA GLY A 4 -32.593 -16.958 -17.946 1.00 0.00 C ATOM 32 C GLY A 4 -32.094 -15.529 -18.032 1.00 0.00 C ATOM 33 O GLY A 4 -32.496 -14.776 -18.919 1.00 0.00 O ATOM 0 H GLY A 4 -33.926 -17.095 -16.334 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.816 -17.633 -18.305 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.452 -17.080 -18.606 1.00 0.00 H new ATOM 37 N SER A 5 -31.217 -15.153 -17.106 1.00 0.00 N ATOM 38 CA SER A 5 -30.666 -13.803 -17.078 1.00 0.00 C ATOM 39 C SER A 5 -29.213 -13.799 -17.543 1.00 0.00 C ATOM 40 O SER A 5 -28.414 -14.637 -17.126 1.00 0.00 O ATOM 41 CB SER A 5 -30.765 -13.219 -15.668 1.00 0.00 C ATOM 42 OG SER A 5 -29.899 -13.897 -14.774 1.00 0.00 O ATOM 0 H SER A 5 -30.873 -15.764 -16.365 1.00 0.00 H new ATOM 0 HA SER A 5 -31.248 -13.185 -17.761 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.512 -12.159 -15.691 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.792 -13.294 -15.311 1.00 0.00 H new ATOM 0 HG SER A 5 -29.979 -13.504 -13.880 1.00 0.00 H new ATOM 48 N SER A 6 -28.878 -12.848 -18.409 1.00 0.00 N ATOM 49 CA SER A 6 -27.523 -12.736 -18.935 1.00 0.00 C ATOM 50 C SER A 6 -26.506 -12.653 -17.800 1.00 0.00 C ATOM 51 O SER A 6 -25.638 -13.515 -17.665 1.00 0.00 O ATOM 52 CB SER A 6 -27.402 -11.504 -19.834 1.00 0.00 C ATOM 53 OG SER A 6 -28.167 -11.659 -21.017 1.00 0.00 O ATOM 0 H SER A 6 -29.527 -12.144 -18.761 1.00 0.00 H new ATOM 0 HA SER A 6 -27.313 -13.629 -19.524 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.739 -10.620 -19.292 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.356 -11.340 -20.092 1.00 0.00 H new ATOM 0 HG SER A 6 -28.074 -10.858 -21.574 1.00 0.00 H new ATOM 59 N GLY A 7 -26.620 -11.607 -16.987 1.00 0.00 N ATOM 60 CA GLY A 7 -25.705 -11.429 -15.874 1.00 0.00 C ATOM 61 C GLY A 7 -24.252 -11.490 -16.303 1.00 0.00 C ATOM 62 O GLY A 7 -23.521 -12.402 -15.917 1.00 0.00 O ATOM 0 H GLY A 7 -27.329 -10.880 -17.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.900 -10.468 -15.397 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.893 -12.200 -15.126 1.00 0.00 H new ATOM 66 N ARG A 8 -23.833 -10.517 -17.106 1.00 0.00 N ATOM 67 CA ARG A 8 -22.459 -10.465 -17.590 1.00 0.00 C ATOM 68 C ARG A 8 -21.858 -9.079 -17.372 1.00 0.00 C ATOM 69 O ARG A 8 -21.137 -8.561 -18.226 1.00 0.00 O ATOM 70 CB ARG A 8 -22.405 -10.828 -19.075 1.00 0.00 C ATOM 71 CG ARG A 8 -23.220 -9.899 -19.960 1.00 0.00 C ATOM 72 CD ARG A 8 -22.801 -10.008 -21.417 1.00 0.00 C ATOM 73 NE ARG A 8 -23.456 -11.126 -22.092 1.00 0.00 N ATOM 74 CZ ARG A 8 -23.250 -11.436 -23.368 1.00 0.00 C ATOM 75 NH1 ARG A 8 -22.413 -10.716 -24.102 1.00 0.00 N ATOM 76 NH2 ARG A 8 -23.883 -12.468 -23.911 1.00 0.00 N ATOM 0 H ARG A 8 -24.425 -9.754 -17.435 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.873 -11.189 -17.024 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -21.367 -10.813 -19.406 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -22.766 -11.848 -19.204 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.279 -10.141 -19.866 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.097 -8.871 -19.621 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.043 -9.080 -21.934 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.720 -10.132 -21.475 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.106 -11.700 -21.555 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.925 -9.922 -23.688 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -22.257 -10.956 -25.081 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -24.528 -13.024 -23.349 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -23.725 -12.706 -24.890 1.00 0.00 H new ATOM 90 N THR A 9 -22.159 -8.483 -16.223 1.00 0.00 N ATOM 91 CA THR A 9 -21.650 -7.158 -15.893 1.00 0.00 C ATOM 92 C THR A 9 -20.904 -7.170 -14.564 1.00 0.00 C ATOM 93 O THR A 9 -21.307 -7.852 -13.621 1.00 0.00 O ATOM 94 CB THR A 9 -22.788 -6.122 -15.820 1.00 0.00 C ATOM 95 OG1 THR A 9 -23.753 -6.522 -14.842 1.00 0.00 O ATOM 96 CG2 THR A 9 -23.465 -5.966 -17.174 1.00 0.00 C ATOM 0 H THR A 9 -22.753 -8.897 -15.505 1.00 0.00 H new ATOM 0 HA THR A 9 -20.962 -6.877 -16.690 1.00 0.00 H new ATOM 0 HB THR A 9 -22.358 -5.162 -15.533 1.00 0.00 H new ATOM 0 HG1 THR A 9 -24.472 -5.857 -14.801 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.265 -5.230 -17.098 1.00 0.00 H new ATOM 0 HG22 THR A 9 -22.734 -5.633 -17.910 1.00 0.00 H new ATOM 0 HG23 THR A 9 -23.882 -6.924 -17.485 1.00 0.00 H new ATOM 104 N HIS A 10 -19.815 -6.411 -14.494 1.00 0.00 N ATOM 105 CA HIS A 10 -19.013 -6.334 -13.279 1.00 0.00 C ATOM 106 C HIS A 10 -18.018 -5.180 -13.356 1.00 0.00 C ATOM 107 O HIS A 10 -17.159 -5.147 -14.237 1.00 0.00 O ATOM 108 CB HIS A 10 -18.269 -7.650 -13.049 1.00 0.00 C ATOM 109 CG HIS A 10 -17.711 -7.789 -11.666 1.00 0.00 C ATOM 110 ND1 HIS A 10 -18.177 -8.715 -10.756 1.00 0.00 N ATOM 111 CD2 HIS A 10 -16.719 -7.115 -11.039 1.00 0.00 C ATOM 112 CE1 HIS A 10 -17.497 -8.602 -9.629 1.00 0.00 C ATOM 113 NE2 HIS A 10 -16.606 -7.639 -9.775 1.00 0.00 N ATOM 0 H HIS A 10 -19.468 -5.840 -15.265 1.00 0.00 H new ATOM 0 HA HIS A 10 -19.686 -6.154 -12.440 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -18.948 -8.480 -13.243 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -17.455 -7.729 -13.770 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -16.126 -6.314 -11.455 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -17.645 -9.196 -8.740 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -15.941 -7.334 -9.064 1.00 0.00 H new ATOM 121 N SER A 11 -18.141 -4.235 -12.430 1.00 0.00 N ATOM 122 CA SER A 11 -17.256 -3.077 -12.396 1.00 0.00 C ATOM 123 C SER A 11 -16.539 -2.980 -11.053 1.00 0.00 C ATOM 124 O SER A 11 -17.158 -3.099 -9.996 1.00 0.00 O ATOM 125 CB SER A 11 -18.048 -1.795 -12.659 1.00 0.00 C ATOM 126 OG SER A 11 -18.460 -1.719 -14.013 1.00 0.00 O ATOM 0 H SER A 11 -18.846 -4.249 -11.693 1.00 0.00 H new ATOM 0 HA SER A 11 -16.508 -3.200 -13.179 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.921 -1.763 -12.008 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.435 -0.928 -12.413 1.00 0.00 H new ATOM 0 HG SER A 11 -18.966 -0.892 -14.155 1.00 0.00 H new ATOM 132 N GLY A 12 -15.229 -2.761 -11.102 1.00 0.00 N ATOM 133 CA GLY A 12 -14.448 -2.651 -9.884 1.00 0.00 C ATOM 134 C GLY A 12 -13.680 -3.920 -9.571 1.00 0.00 C ATOM 135 O GLY A 12 -14.122 -4.738 -8.766 1.00 0.00 O ATOM 0 H GLY A 12 -14.694 -2.658 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.748 -1.821 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.111 -2.416 -9.051 1.00 0.00 H new ATOM 139 N GLU A 13 -12.526 -4.084 -10.211 1.00 0.00 N ATOM 140 CA GLU A 13 -11.696 -5.264 -9.998 1.00 0.00 C ATOM 141 C GLU A 13 -10.338 -4.876 -9.420 1.00 0.00 C ATOM 142 O GLU A 13 -9.316 -4.950 -10.103 1.00 0.00 O ATOM 143 CB GLU A 13 -11.506 -6.025 -11.311 1.00 0.00 C ATOM 144 CG GLU A 13 -11.107 -5.136 -12.477 1.00 0.00 C ATOM 145 CD GLU A 13 -10.665 -5.931 -13.691 1.00 0.00 C ATOM 146 OE1 GLU A 13 -10.244 -7.093 -13.518 1.00 0.00 O ATOM 147 OE2 GLU A 13 -10.741 -5.390 -14.814 1.00 0.00 O ATOM 0 H GLU A 13 -12.145 -3.415 -10.880 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.204 -5.911 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.743 -6.790 -11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.433 -6.541 -11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.950 -4.501 -12.750 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.298 -4.475 -12.165 1.00 0.00 H new ATOM 154 N LYS A 14 -10.334 -4.463 -8.158 1.00 0.00 N ATOM 155 CA LYS A 14 -9.103 -4.064 -7.486 1.00 0.00 C ATOM 156 C LYS A 14 -9.211 -4.279 -5.980 1.00 0.00 C ATOM 157 O LYS A 14 -9.978 -3.612 -5.286 1.00 0.00 O ATOM 158 CB LYS A 14 -8.790 -2.595 -7.781 1.00 0.00 C ATOM 159 CG LYS A 14 -8.348 -2.343 -9.212 1.00 0.00 C ATOM 160 CD LYS A 14 -9.506 -1.880 -10.080 1.00 0.00 C ATOM 161 CE LYS A 14 -9.070 -1.659 -11.520 1.00 0.00 C ATOM 162 NZ LYS A 14 -10.219 -1.730 -12.464 1.00 0.00 N ATOM 0 H LYS A 14 -11.171 -4.396 -7.579 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.293 -4.686 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.675 -1.994 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.007 -2.256 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.560 -1.590 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.922 -3.256 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.304 -2.622 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.917 -0.954 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.587 -0.686 -11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.328 -2.409 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.886 -2.063 -13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.932 -2.391 -12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.642 -0.786 -12.567 1.00 0.00 H new ATOM 176 N PRO A 15 -8.423 -5.232 -5.459 1.00 0.00 N ATOM 177 CA PRO A 15 -8.410 -5.555 -4.030 1.00 0.00 C ATOM 178 C PRO A 15 -7.788 -4.445 -3.190 1.00 0.00 C ATOM 179 O PRO A 15 -7.650 -4.577 -1.973 1.00 0.00 O ATOM 180 CB PRO A 15 -7.553 -6.822 -3.960 1.00 0.00 C ATOM 181 CG PRO A 15 -6.673 -6.751 -5.160 1.00 0.00 C ATOM 182 CD PRO A 15 -7.483 -6.066 -6.227 1.00 0.00 C ATOM 0 HA PRO A 15 -9.417 -5.682 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.968 -6.854 -3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.171 -7.720 -3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.762 -6.193 -4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.369 -7.747 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.855 -5.463 -6.883 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.006 -6.785 -6.858 1.00 0.00 H new ATOM 190 N TYR A 16 -7.416 -3.352 -3.845 1.00 0.00 N ATOM 191 CA TYR A 16 -6.807 -2.219 -3.159 1.00 0.00 C ATOM 192 C TYR A 16 -7.414 -0.903 -3.635 1.00 0.00 C ATOM 193 O TYR A 16 -7.915 -0.808 -4.755 1.00 0.00 O ATOM 194 CB TYR A 16 -5.295 -2.209 -3.388 1.00 0.00 C ATOM 195 CG TYR A 16 -4.567 -3.326 -2.676 1.00 0.00 C ATOM 196 CD1 TYR A 16 -4.266 -3.233 -1.322 1.00 0.00 C ATOM 197 CD2 TYR A 16 -4.178 -4.474 -3.355 1.00 0.00 C ATOM 198 CE1 TYR A 16 -3.600 -4.250 -0.666 1.00 0.00 C ATOM 199 CE2 TYR A 16 -3.514 -5.497 -2.707 1.00 0.00 C ATOM 200 CZ TYR A 16 -3.227 -5.381 -1.363 1.00 0.00 C ATOM 201 OH TYR A 16 -2.564 -6.397 -0.715 1.00 0.00 O ATOM 0 H TYR A 16 -7.525 -3.226 -4.851 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.005 -2.324 -2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.098 -2.282 -4.457 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.892 -1.253 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.558 -2.350 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.399 -4.568 -4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.373 -4.160 0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.221 -6.383 -3.250 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.375 -7.120 -1.348 1.00 0.00 H new ATOM 211 N GLU A 17 -7.362 0.111 -2.776 1.00 0.00 N ATOM 212 CA GLU A 17 -7.907 1.422 -3.109 1.00 0.00 C ATOM 213 C GLU A 17 -7.364 2.492 -2.166 1.00 0.00 C ATOM 214 O GLU A 17 -7.204 2.256 -0.968 1.00 0.00 O ATOM 215 CB GLU A 17 -9.435 1.396 -3.043 1.00 0.00 C ATOM 216 CG GLU A 17 -10.080 2.738 -3.344 1.00 0.00 C ATOM 217 CD GLU A 17 -11.501 2.832 -2.822 1.00 0.00 C ATOM 218 OE1 GLU A 17 -11.732 2.450 -1.656 1.00 0.00 O ATOM 219 OE2 GLU A 17 -12.382 3.290 -3.580 1.00 0.00 O ATOM 0 H GLU A 17 -6.949 0.050 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.599 1.668 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.808 0.656 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.742 1.070 -2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.480 3.533 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.081 2.903 -4.421 1.00 0.00 H new ATOM 226 N CYS A 18 -7.083 3.669 -2.715 1.00 0.00 N ATOM 227 CA CYS A 18 -6.557 4.775 -1.925 1.00 0.00 C ATOM 228 C CYS A 18 -7.644 5.373 -1.035 1.00 0.00 C ATOM 229 O CYS A 18 -8.695 5.793 -1.519 1.00 0.00 O ATOM 230 CB CYS A 18 -5.982 5.856 -2.842 1.00 0.00 C ATOM 231 SG CYS A 18 -4.963 7.097 -1.982 1.00 0.00 S ATOM 0 H CYS A 18 -7.211 3.881 -3.704 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.762 4.388 -1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.379 5.379 -3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.804 6.363 -3.347 1.00 0.00 H new ATOM 236 N TYR A 19 -7.382 5.407 0.267 1.00 0.00 N ATOM 237 CA TYR A 19 -8.338 5.950 1.224 1.00 0.00 C ATOM 238 C TYR A 19 -8.223 7.470 1.306 1.00 0.00 C ATOM 239 O TYR A 19 -8.714 8.090 2.249 1.00 0.00 O ATOM 240 CB TYR A 19 -8.112 5.336 2.607 1.00 0.00 C ATOM 241 CG TYR A 19 -6.654 5.237 2.995 1.00 0.00 C ATOM 242 CD1 TYR A 19 -5.943 6.362 3.396 1.00 0.00 C ATOM 243 CD2 TYR A 19 -5.986 4.019 2.960 1.00 0.00 C ATOM 244 CE1 TYR A 19 -4.611 6.276 3.751 1.00 0.00 C ATOM 245 CE2 TYR A 19 -4.654 3.924 3.314 1.00 0.00 C ATOM 246 CZ TYR A 19 -3.971 5.055 3.708 1.00 0.00 C ATOM 247 OH TYR A 19 -2.644 4.965 4.062 1.00 0.00 O ATOM 0 H TYR A 19 -6.516 5.065 0.683 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.341 5.697 0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.637 5.935 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.554 4.340 2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.441 7.320 3.431 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.517 3.131 2.651 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.073 7.160 4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.151 2.969 3.282 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.345 4.035 3.978 1.00 0.00 H new ATOM 257 N ILE A 20 -7.572 8.061 0.310 1.00 0.00 N ATOM 258 CA ILE A 20 -7.394 9.507 0.267 1.00 0.00 C ATOM 259 C ILE A 20 -8.172 10.123 -0.891 1.00 0.00 C ATOM 260 O ILE A 20 -8.936 11.071 -0.706 1.00 0.00 O ATOM 261 CB ILE A 20 -5.908 9.888 0.132 1.00 0.00 C ATOM 262 CG1 ILE A 20 -5.113 9.361 1.329 1.00 0.00 C ATOM 263 CG2 ILE A 20 -5.756 11.397 0.011 1.00 0.00 C ATOM 264 CD1 ILE A 20 -3.616 9.518 1.177 1.00 0.00 C ATOM 0 H ILE A 20 -7.159 7.561 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.777 9.900 1.209 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.512 9.429 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.436 9.886 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.347 8.306 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.700 11.650 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.293 11.747 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.166 11.876 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.117 9.123 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.280 8.970 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.371 10.574 1.063 1.00 0.00 H new ATOM 276 N CYS A 21 -7.974 9.577 -2.086 1.00 0.00 N ATOM 277 CA CYS A 21 -8.657 10.070 -3.275 1.00 0.00 C ATOM 278 C CYS A 21 -9.691 9.061 -3.767 1.00 0.00 C ATOM 279 O CYS A 21 -10.510 9.367 -4.635 1.00 0.00 O ATOM 280 CB CYS A 21 -7.646 10.363 -4.386 1.00 0.00 C ATOM 281 SG CYS A 21 -6.533 8.971 -4.763 1.00 0.00 S ATOM 0 H CYS A 21 -7.345 8.792 -2.256 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.173 10.993 -3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.187 10.638 -5.292 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.046 11.227 -4.099 1.00 0.00 H new ATOM 286 N HIS A 22 -9.648 7.857 -3.205 1.00 0.00 N ATOM 287 CA HIS A 22 -10.581 6.802 -3.585 1.00 0.00 C ATOM 288 C HIS A 22 -10.214 6.216 -4.945 1.00 0.00 C ATOM 289 O HIS A 22 -11.088 5.891 -5.748 1.00 0.00 O ATOM 290 CB HIS A 22 -12.010 7.345 -3.620 1.00 0.00 C ATOM 291 CG HIS A 22 -12.346 8.223 -2.454 1.00 0.00 C ATOM 292 ND1 HIS A 22 -13.044 7.777 -1.352 1.00 0.00 N ATOM 293 CD2 HIS A 22 -12.073 9.529 -2.222 1.00 0.00 C ATOM 294 CE1 HIS A 22 -13.188 8.771 -0.493 1.00 0.00 C ATOM 295 NE2 HIS A 22 -12.608 9.845 -0.997 1.00 0.00 N ATOM 0 H HIS A 22 -8.977 7.588 -2.485 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.519 6.010 -2.839 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.153 7.909 -4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.707 6.508 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.535 10.197 -2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.694 8.715 0.459 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.564 10.760 -0.549 1.00 0.00 H new ATOM 303 N ALA A 23 -8.916 6.084 -5.196 1.00 0.00 N ATOM 304 CA ALA A 23 -8.433 5.536 -6.457 1.00 0.00 C ATOM 305 C ALA A 23 -8.105 4.053 -6.321 1.00 0.00 C ATOM 306 O ALA A 23 -7.106 3.682 -5.704 1.00 0.00 O ATOM 307 CB ALA A 23 -7.212 6.307 -6.935 1.00 0.00 C ATOM 0 H ALA A 23 -8.180 6.349 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.226 5.640 -7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.862 5.886 -7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.477 7.354 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.420 6.234 -6.189 1.00 0.00 H new ATOM 313 N ARG A 24 -8.952 3.208 -6.901 1.00 0.00 N ATOM 314 CA ARG A 24 -8.752 1.765 -6.843 1.00 0.00 C ATOM 315 C ARG A 24 -7.409 1.377 -7.456 1.00 0.00 C ATOM 316 O ARG A 24 -6.858 2.106 -8.281 1.00 0.00 O ATOM 317 CB ARG A 24 -9.886 1.042 -7.572 1.00 0.00 C ATOM 318 CG ARG A 24 -11.235 1.179 -6.887 1.00 0.00 C ATOM 319 CD ARG A 24 -11.452 0.080 -5.858 1.00 0.00 C ATOM 320 NE ARG A 24 -12.099 -1.094 -6.439 1.00 0.00 N ATOM 321 CZ ARG A 24 -13.416 -1.227 -6.551 1.00 0.00 C ATOM 322 NH1 ARG A 24 -14.221 -0.264 -6.125 1.00 0.00 N ATOM 323 NH2 ARG A 24 -13.929 -2.325 -7.091 1.00 0.00 N ATOM 0 H ARG A 24 -9.783 3.498 -7.416 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.754 1.465 -5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.962 1.433 -8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.636 -0.016 -7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.300 2.152 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.029 1.142 -7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.493 -0.210 -5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.063 0.464 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.507 -1.853 -6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.830 0.582 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.232 -0.369 -6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.312 -3.068 -7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.940 -2.427 -7.177 1.00 0.00 H new ATOM 337 N PHE A 25 -6.889 0.225 -7.047 1.00 0.00 N ATOM 338 CA PHE A 25 -5.611 -0.260 -7.554 1.00 0.00 C ATOM 339 C PHE A 25 -5.569 -1.785 -7.554 1.00 0.00 C ATOM 340 O PHE A 25 -5.884 -2.427 -6.551 1.00 0.00 O ATOM 341 CB PHE A 25 -4.460 0.294 -6.711 1.00 0.00 C ATOM 342 CG PHE A 25 -4.243 1.769 -6.888 1.00 0.00 C ATOM 343 CD1 PHE A 25 -3.493 2.250 -7.949 1.00 0.00 C ATOM 344 CD2 PHE A 25 -4.789 2.676 -5.993 1.00 0.00 C ATOM 345 CE1 PHE A 25 -3.291 3.607 -8.114 1.00 0.00 C ATOM 346 CE2 PHE A 25 -4.591 4.034 -6.153 1.00 0.00 C ATOM 347 CZ PHE A 25 -3.841 4.500 -7.216 1.00 0.00 C ATOM 0 H PHE A 25 -7.333 -0.390 -6.366 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.500 0.089 -8.581 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.659 0.088 -5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.543 -0.234 -6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.061 1.556 -8.655 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.376 2.317 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.703 3.969 -8.945 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.022 4.730 -5.448 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.685 5.561 -7.344 1.00 0.00 H new ATOM 357 N THR A 26 -5.177 -2.361 -8.686 1.00 0.00 N ATOM 358 CA THR A 26 -5.094 -3.810 -8.819 1.00 0.00 C ATOM 359 C THR A 26 -3.742 -4.329 -8.344 1.00 0.00 C ATOM 360 O THR A 26 -3.460 -5.523 -8.437 1.00 0.00 O ATOM 361 CB THR A 26 -5.319 -4.254 -10.277 1.00 0.00 C ATOM 362 OG1 THR A 26 -5.290 -5.683 -10.363 1.00 0.00 O ATOM 363 CG2 THR A 26 -4.258 -3.664 -11.192 1.00 0.00 C ATOM 0 H THR A 26 -4.912 -1.845 -9.525 1.00 0.00 H new ATOM 0 HA THR A 26 -5.881 -4.231 -8.194 1.00 0.00 H new ATOM 0 HB THR A 26 -6.295 -3.891 -10.598 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.643 -6.037 -9.717 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.438 -3.991 -12.216 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.302 -2.576 -11.146 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.272 -4.001 -10.871 1.00 0.00 H new ATOM 371 N GLN A 27 -2.911 -3.425 -7.836 1.00 0.00 N ATOM 372 CA GLN A 27 -1.588 -3.794 -7.346 1.00 0.00 C ATOM 373 C GLN A 27 -1.291 -3.113 -6.014 1.00 0.00 C ATOM 374 O GLN A 27 -1.328 -1.887 -5.911 1.00 0.00 O ATOM 375 CB GLN A 27 -0.519 -3.420 -8.374 1.00 0.00 C ATOM 376 CG GLN A 27 -0.435 -4.385 -9.545 1.00 0.00 C ATOM 377 CD GLN A 27 0.460 -5.574 -9.258 1.00 0.00 C ATOM 378 OE1 GLN A 27 1.630 -5.591 -9.642 1.00 0.00 O ATOM 379 NE2 GLN A 27 -0.085 -6.577 -8.581 1.00 0.00 N ATOM 0 H GLN A 27 -3.130 -2.432 -7.753 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.572 -4.873 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.726 -2.419 -8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.451 -3.379 -7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.436 -4.740 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.060 -3.856 -10.421 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.059 -6.521 -8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.470 -7.404 -8.360 1.00 0.00 H new ATOM 388 N SER A 28 -0.997 -3.917 -4.997 1.00 0.00 N ATOM 389 CA SER A 28 -0.697 -3.392 -3.670 1.00 0.00 C ATOM 390 C SER A 28 0.459 -2.398 -3.727 1.00 0.00 C ATOM 391 O SER A 28 0.463 -1.392 -3.020 1.00 0.00 O ATOM 392 CB SER A 28 -0.356 -4.534 -2.712 1.00 0.00 C ATOM 393 OG SER A 28 0.805 -5.226 -3.136 1.00 0.00 O ATOM 0 H SER A 28 -0.960 -4.934 -5.067 1.00 0.00 H new ATOM 0 HA SER A 28 -1.582 -2.872 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.200 -4.137 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.195 -5.227 -2.654 1.00 0.00 H new ATOM 0 HG SER A 28 1.003 -5.950 -2.506 1.00 0.00 H new ATOM 399 N GLY A 29 1.440 -2.690 -4.576 1.00 0.00 N ATOM 400 CA GLY A 29 2.589 -1.814 -4.711 1.00 0.00 C ATOM 401 C GLY A 29 2.228 -0.472 -5.317 1.00 0.00 C ATOM 402 O GLY A 29 2.560 0.578 -4.766 1.00 0.00 O ATOM 0 H GLY A 29 1.459 -3.517 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.039 -1.657 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.341 -2.300 -5.333 1.00 0.00 H new ATOM 406 N THR A 30 1.546 -0.505 -6.458 1.00 0.00 N ATOM 407 CA THR A 30 1.142 0.717 -7.142 1.00 0.00 C ATOM 408 C THR A 30 0.440 1.675 -6.187 1.00 0.00 C ATOM 409 O THR A 30 0.800 2.848 -6.093 1.00 0.00 O ATOM 410 CB THR A 30 0.206 0.414 -8.327 1.00 0.00 C ATOM 411 OG1 THR A 30 0.894 -0.372 -9.307 1.00 0.00 O ATOM 412 CG2 THR A 30 -0.296 1.701 -8.964 1.00 0.00 C ATOM 0 H THR A 30 1.262 -1.365 -6.928 1.00 0.00 H new ATOM 0 HA THR A 30 2.052 1.185 -7.518 1.00 0.00 H new ATOM 0 HB THR A 30 -0.651 -0.144 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.291 -0.562 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.955 1.461 -9.798 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.845 2.283 -8.224 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.552 2.282 -9.327 1.00 0.00 H new ATOM 420 N MET A 31 -0.564 1.167 -5.478 1.00 0.00 N ATOM 421 CA MET A 31 -1.315 1.979 -4.528 1.00 0.00 C ATOM 422 C MET A 31 -0.377 2.681 -3.552 1.00 0.00 C ATOM 423 O MET A 31 -0.335 3.910 -3.490 1.00 0.00 O ATOM 424 CB MET A 31 -2.313 1.110 -3.760 1.00 0.00 C ATOM 425 CG MET A 31 -3.318 1.912 -2.949 1.00 0.00 C ATOM 426 SD MET A 31 -4.213 0.900 -1.755 1.00 0.00 S ATOM 427 CE MET A 31 -2.854 0.143 -0.867 1.00 0.00 C ATOM 0 H MET A 31 -0.875 0.198 -5.544 1.00 0.00 H new ATOM 0 HA MET A 31 -1.861 2.738 -5.088 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.850 0.477 -4.466 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.765 0.447 -3.091 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.798 2.713 -2.423 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.030 2.384 -3.625 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.168 -0.088 0.151 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.556 -0.776 -1.372 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.009 0.831 -0.839 1.00 0.00 H new ATOM 437 N LYS A 32 0.374 1.894 -2.790 1.00 0.00 N ATOM 438 CA LYS A 32 1.313 2.439 -1.817 1.00 0.00 C ATOM 439 C LYS A 32 2.222 3.480 -2.462 1.00 0.00 C ATOM 440 O LYS A 32 2.546 4.499 -1.852 1.00 0.00 O ATOM 441 CB LYS A 32 2.157 1.317 -1.207 1.00 0.00 C ATOM 442 CG LYS A 32 1.337 0.268 -0.477 1.00 0.00 C ATOM 443 CD LYS A 32 2.221 -0.816 0.118 1.00 0.00 C ATOM 444 CE LYS A 32 1.420 -1.774 0.986 1.00 0.00 C ATOM 445 NZ LYS A 32 0.806 -2.868 0.184 1.00 0.00 N ATOM 0 H LYS A 32 0.351 0.875 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 32 0.739 2.923 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.729 0.833 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.877 1.751 -0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.759 0.743 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.623 -0.182 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.708 -1.371 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.010 -0.357 0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.070 -2.203 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.637 -1.223 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.474 -3.621 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.001 -2.492 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.513 -3.256 -0.472 1.00 0.00 H new ATOM 459 N MET A 33 2.630 3.218 -3.699 1.00 0.00 N ATOM 460 CA MET A 33 3.500 4.134 -4.428 1.00 0.00 C ATOM 461 C MET A 33 2.742 5.393 -4.837 1.00 0.00 C ATOM 462 O MET A 33 3.344 6.436 -5.095 1.00 0.00 O ATOM 463 CB MET A 33 4.077 3.447 -5.667 1.00 0.00 C ATOM 464 CG MET A 33 5.399 2.742 -5.410 1.00 0.00 C ATOM 465 SD MET A 33 6.039 1.911 -6.877 1.00 0.00 S ATOM 466 CE MET A 33 5.410 0.252 -6.628 1.00 0.00 C ATOM 0 H MET A 33 2.372 2.379 -4.218 1.00 0.00 H new ATOM 0 HA MET A 33 4.318 4.422 -3.768 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.354 2.721 -6.040 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.217 4.190 -6.452 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.132 3.469 -5.060 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.268 2.012 -4.612 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.188 -0.472 -6.870 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.111 0.129 -5.587 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.548 0.089 -7.275 1.00 0.00 H new ATOM 476 N HIS A 34 1.418 5.290 -4.893 1.00 0.00 N ATOM 477 CA HIS A 34 0.578 6.421 -5.271 1.00 0.00 C ATOM 478 C HIS A 34 0.335 7.339 -4.077 1.00 0.00 C ATOM 479 O HIS A 34 0.335 8.563 -4.213 1.00 0.00 O ATOM 480 CB HIS A 34 -0.757 5.928 -5.830 1.00 0.00 C ATOM 481 CG HIS A 34 -1.818 6.985 -5.865 1.00 0.00 C ATOM 482 ND1 HIS A 34 -2.009 7.824 -6.942 1.00 0.00 N ATOM 483 CD2 HIS A 34 -2.749 7.335 -4.947 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.011 8.645 -6.685 1.00 0.00 C ATOM 485 NE2 HIS A 34 -3.478 8.369 -5.481 1.00 0.00 N ATOM 0 H HIS A 34 0.904 4.435 -4.681 1.00 0.00 H new ATOM 0 HA HIS A 34 1.099 6.987 -6.043 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.601 5.548 -6.840 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.108 5.092 -5.225 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.462 7.812 -7.803 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.892 6.885 -3.976 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.385 9.412 -7.347 1.00 0.00 H new ATOM 493 N ILE A 35 0.128 6.741 -2.909 1.00 0.00 N ATOM 494 CA ILE A 35 -0.116 7.505 -1.692 1.00 0.00 C ATOM 495 C ILE A 35 1.127 8.283 -1.273 1.00 0.00 C ATOM 496 O ILE A 35 1.029 9.355 -0.674 1.00 0.00 O ATOM 497 CB ILE A 35 -0.552 6.592 -0.531 1.00 0.00 C ATOM 498 CG1 ILE A 35 -1.800 5.797 -0.919 1.00 0.00 C ATOM 499 CG2 ILE A 35 -0.810 7.415 0.722 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.212 4.775 0.117 1.00 0.00 C ATOM 0 H ILE A 35 0.124 5.729 -2.780 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.922 8.204 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 35 0.253 5.888 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.626 6.490 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.617 5.289 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.117 6.755 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.102 7.940 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.600 8.140 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.104 4.249 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.403 4.060 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.427 5.279 1.060 1.00 0.00 H new ATOM 512 N LEU A 36 2.295 7.738 -1.593 1.00 0.00 N ATOM 513 CA LEU A 36 3.559 8.381 -1.252 1.00 0.00 C ATOM 514 C LEU A 36 4.008 9.324 -2.364 1.00 0.00 C ATOM 515 O LEU A 36 4.980 10.063 -2.209 1.00 0.00 O ATOM 516 CB LEU A 36 4.638 7.328 -0.995 1.00 0.00 C ATOM 517 CG LEU A 36 5.462 6.901 -2.210 1.00 0.00 C ATOM 518 CD1 LEU A 36 6.578 7.899 -2.475 1.00 0.00 C ATOM 519 CD2 LEU A 36 6.030 5.504 -2.005 1.00 0.00 C ATOM 0 H LEU A 36 2.393 6.852 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 36 3.407 8.965 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.319 7.713 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.161 6.442 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 36 4.807 6.881 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.154 7.579 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.149 8.882 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.233 7.952 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.614 5.217 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.671 5.498 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.213 4.796 -1.865 1.00 0.00 H new ATOM 531 N GLN A 37 3.292 9.294 -3.483 1.00 0.00 N ATOM 532 CA GLN A 37 3.616 10.147 -4.620 1.00 0.00 C ATOM 533 C GLN A 37 2.672 11.343 -4.690 1.00 0.00 C ATOM 534 O GLN A 37 3.096 12.468 -4.955 1.00 0.00 O ATOM 535 CB GLN A 37 3.542 9.348 -5.922 1.00 0.00 C ATOM 536 CG GLN A 37 4.771 8.490 -6.180 1.00 0.00 C ATOM 537 CD GLN A 37 4.600 7.571 -7.373 1.00 0.00 C ATOM 538 OE1 GLN A 37 4.388 8.026 -8.497 1.00 0.00 O ATOM 539 NE2 GLN A 37 4.692 6.267 -7.134 1.00 0.00 N ATOM 0 H GLN A 37 2.484 8.688 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 37 4.633 10.517 -4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.661 8.707 -5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.410 10.038 -6.755 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.633 9.137 -6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.985 7.893 -5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.869 5.933 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.586 5.600 -7.898 1.00 0.00 H new ATOM 548 N LYS A 38 1.389 11.093 -4.450 1.00 0.00 N ATOM 549 CA LYS A 38 0.384 12.149 -4.484 1.00 0.00 C ATOM 550 C LYS A 38 0.084 12.660 -3.079 1.00 0.00 C ATOM 551 O LYS A 38 -0.251 13.830 -2.891 1.00 0.00 O ATOM 552 CB LYS A 38 -0.901 11.636 -5.137 1.00 0.00 C ATOM 553 CG LYS A 38 -0.715 11.187 -6.576 1.00 0.00 C ATOM 554 CD LYS A 38 -0.485 12.368 -7.504 1.00 0.00 C ATOM 555 CE LYS A 38 0.328 11.967 -8.725 1.00 0.00 C ATOM 556 NZ LYS A 38 0.114 12.902 -9.864 1.00 0.00 N ATOM 0 H LYS A 38 1.021 10.168 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 38 0.780 12.975 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.288 10.802 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.654 12.423 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.132 10.504 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.595 10.633 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.445 12.774 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.034 13.161 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.387 11.946 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.054 10.956 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.685 12.595 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.892 12.903 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.399 13.862 -9.583 1.00 0.00 H new ATOM 570 N HIS A 39 0.208 11.777 -2.093 1.00 0.00 N ATOM 571 CA HIS A 39 -0.048 12.140 -0.704 1.00 0.00 C ATOM 572 C HIS A 39 1.198 11.928 0.152 1.00 0.00 C ATOM 573 O HIS A 39 1.126 11.361 1.243 1.00 0.00 O ATOM 574 CB HIS A 39 -1.210 11.318 -0.146 1.00 0.00 C ATOM 575 CG HIS A 39 -2.412 11.297 -1.039 1.00 0.00 C ATOM 576 ND1 HIS A 39 -3.123 12.431 -1.371 1.00 0.00 N ATOM 577 CD2 HIS A 39 -3.026 10.270 -1.672 1.00 0.00 C ATOM 578 CE1 HIS A 39 -4.124 12.102 -2.168 1.00 0.00 C ATOM 579 NE2 HIS A 39 -4.087 10.797 -2.367 1.00 0.00 N ATOM 0 H HIS A 39 0.484 10.805 -2.230 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.313 13.197 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.873 10.295 0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.496 11.721 0.825 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -2.910 13.376 -1.051 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.736 9.230 -1.637 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.849 12.784 -2.586 1.00 0.00 H new ATOM 587 N THR A 40 2.340 12.387 -0.351 1.00 0.00 N ATOM 588 CA THR A 40 3.601 12.246 0.366 1.00 0.00 C ATOM 589 C THR A 40 3.582 13.032 1.672 1.00 0.00 C ATOM 590 O THR A 40 4.177 12.616 2.665 1.00 0.00 O ATOM 591 CB THR A 40 4.790 12.722 -0.490 1.00 0.00 C ATOM 592 OG1 THR A 40 5.989 12.721 0.293 1.00 0.00 O ATOM 593 CG2 THR A 40 4.537 14.119 -1.038 1.00 0.00 C ATOM 0 H THR A 40 2.417 12.859 -1.252 1.00 0.00 H new ATOM 0 HA THR A 40 3.723 11.185 0.586 1.00 0.00 H new ATOM 0 HB THR A 40 4.904 12.035 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.443 13.584 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.390 14.434 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.640 14.110 -1.657 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.399 14.815 -0.211 1.00 0.00 H new ATOM 601 N GLU A 41 2.895 14.170 1.662 1.00 0.00 N ATOM 602 CA GLU A 41 2.800 15.014 2.848 1.00 0.00 C ATOM 603 C GLU A 41 1.601 14.616 3.704 1.00 0.00 C ATOM 604 O GLU A 41 1.724 14.426 4.913 1.00 0.00 O ATOM 605 CB GLU A 41 2.687 16.486 2.445 1.00 0.00 C ATOM 606 CG GLU A 41 1.519 16.775 1.518 1.00 0.00 C ATOM 607 CD GLU A 41 1.483 18.220 1.059 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.568 18.817 0.892 1.00 0.00 O ATOM 609 OE2 GLU A 41 0.371 18.755 0.868 1.00 0.00 O ATOM 0 H GLU A 41 2.397 14.528 0.847 1.00 0.00 H new ATOM 0 HA GLU A 41 3.707 14.874 3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.585 17.093 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.612 16.792 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.581 16.122 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.586 16.537 2.029 1.00 0.00 H new ATOM 616 N ASN A 42 0.441 14.493 3.067 1.00 0.00 N ATOM 617 CA ASN A 42 -0.781 14.119 3.769 1.00 0.00 C ATOM 618 C ASN A 42 -0.511 13.003 4.774 1.00 0.00 C ATOM 619 O ASN A 42 -0.962 13.061 5.918 1.00 0.00 O ATOM 620 CB ASN A 42 -1.852 13.674 2.771 1.00 0.00 C ATOM 621 CG ASN A 42 -3.258 13.924 3.282 1.00 0.00 C ATOM 622 OD1 ASN A 42 -3.567 13.649 4.442 1.00 0.00 O ATOM 623 ND2 ASN A 42 -4.118 14.447 2.416 1.00 0.00 N ATOM 0 H ASN A 42 0.322 14.647 2.066 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.141 14.993 4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.711 14.205 1.830 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.729 12.612 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.078 14.637 2.702 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.818 14.659 1.464 1.00 0.00 H new ATOM 630 N VAL A 43 0.228 11.988 4.338 1.00 0.00 N ATOM 631 CA VAL A 43 0.559 10.859 5.199 1.00 0.00 C ATOM 632 C VAL A 43 1.610 11.247 6.233 1.00 0.00 C ATOM 633 O VAL A 43 2.511 12.036 5.952 1.00 0.00 O ATOM 634 CB VAL A 43 1.079 9.662 4.380 1.00 0.00 C ATOM 635 CG1 VAL A 43 2.198 10.098 3.448 1.00 0.00 C ATOM 636 CG2 VAL A 43 1.547 8.548 5.304 1.00 0.00 C ATOM 0 H VAL A 43 0.609 11.924 3.394 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.360 10.570 5.709 1.00 0.00 H new ATOM 0 HB VAL A 43 0.261 9.278 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.552 9.239 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.825 10.859 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.020 10.509 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.911 7.710 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.351 8.917 5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.715 8.217 5.925 1.00 0.00 H new ATOM 646 N ALA A 44 1.487 10.686 7.432 1.00 0.00 N ATOM 647 CA ALA A 44 2.428 10.971 8.508 1.00 0.00 C ATOM 648 C ALA A 44 3.631 10.036 8.448 1.00 0.00 C ATOM 649 O ALA A 44 4.764 10.477 8.255 1.00 0.00 O ATOM 650 CB ALA A 44 1.735 10.857 9.858 1.00 0.00 C ATOM 0 H ALA A 44 0.745 10.032 7.682 1.00 0.00 H new ATOM 0 HA ALA A 44 2.788 11.992 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.449 11.072 10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.912 11.571 9.906 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.346 9.846 9.983 1.00 0.00 H new ATOM 656 N LYS A 45 3.378 8.742 8.616 1.00 0.00 N ATOM 657 CA LYS A 45 4.440 7.744 8.580 1.00 0.00 C ATOM 658 C LYS A 45 4.602 7.171 7.176 1.00 0.00 C ATOM 659 O LYS A 45 3.619 6.953 6.466 1.00 0.00 O ATOM 660 CB LYS A 45 4.141 6.616 9.571 1.00 0.00 C ATOM 661 CG LYS A 45 5.384 6.025 10.213 1.00 0.00 C ATOM 662 CD LYS A 45 5.066 5.374 11.548 1.00 0.00 C ATOM 663 CE LYS A 45 6.330 5.097 12.348 1.00 0.00 C ATOM 664 NZ LYS A 45 6.942 6.351 12.869 1.00 0.00 N ATOM 0 H LYS A 45 2.446 8.360 8.778 1.00 0.00 H new ATOM 0 HA LYS A 45 5.372 8.232 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.484 6.996 10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.598 5.825 9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.825 5.287 9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.128 6.809 10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.405 6.023 12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.528 4.441 11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.095 4.434 13.181 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.051 4.575 11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.638 6.118 13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.416 6.855 12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.200 6.957 13.273 1.00 0.00 H new ATOM 678 N PHE A 46 5.847 6.929 6.780 1.00 0.00 N ATOM 679 CA PHE A 46 6.137 6.381 5.460 1.00 0.00 C ATOM 680 C PHE A 46 6.458 4.891 5.548 1.00 0.00 C ATOM 681 O PHE A 46 7.035 4.426 6.531 1.00 0.00 O ATOM 682 CB PHE A 46 7.307 7.129 4.819 1.00 0.00 C ATOM 683 CG PHE A 46 7.046 8.596 4.625 1.00 0.00 C ATOM 684 CD1 PHE A 46 6.937 9.444 5.715 1.00 0.00 C ATOM 685 CD2 PHE A 46 6.911 9.126 3.352 1.00 0.00 C ATOM 686 CE1 PHE A 46 6.696 10.793 5.539 1.00 0.00 C ATOM 687 CE2 PHE A 46 6.670 10.475 3.170 1.00 0.00 C ATOM 688 CZ PHE A 46 6.564 11.310 4.265 1.00 0.00 C ATOM 0 H PHE A 46 6.672 7.104 7.354 1.00 0.00 H new ATOM 0 HA PHE A 46 5.250 6.508 4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.193 7.005 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.531 6.677 3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.042 9.046 6.714 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.995 8.478 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.611 11.443 6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.565 10.876 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.378 12.365 4.125 1.00 0.00 H new ATOM 698 N HIS A 47 6.079 4.148 4.513 1.00 0.00 N ATOM 699 CA HIS A 47 6.326 2.711 4.472 1.00 0.00 C ATOM 700 C HIS A 47 6.803 2.281 3.088 1.00 0.00 C ATOM 701 O HIS A 47 6.244 2.694 2.072 1.00 0.00 O ATOM 702 CB HIS A 47 5.059 1.944 4.850 1.00 0.00 C ATOM 703 CG HIS A 47 4.887 1.761 6.326 1.00 0.00 C ATOM 704 ND1 HIS A 47 5.433 0.704 7.022 1.00 0.00 N ATOM 705 CD2 HIS A 47 4.226 2.509 7.240 1.00 0.00 C ATOM 706 CE1 HIS A 47 5.114 0.809 8.300 1.00 0.00 C ATOM 707 NE2 HIS A 47 4.382 1.896 8.458 1.00 0.00 N ATOM 0 H HIS A 47 5.600 4.517 3.692 1.00 0.00 H new ATOM 0 HA HIS A 47 7.110 2.481 5.194 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.192 2.474 4.455 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.080 0.965 4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.678 3.419 7.047 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.403 0.122 9.082 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.995 2.227 9.342 1.00 0.00 H new ATOM 715 N CYS A 48 7.839 1.450 3.057 1.00 0.00 N ATOM 716 CA CYS A 48 8.392 0.964 1.798 1.00 0.00 C ATOM 717 C CYS A 48 7.330 0.230 0.984 1.00 0.00 C ATOM 718 O CYS A 48 6.686 -0.706 1.458 1.00 0.00 O ATOM 719 CB CYS A 48 9.579 0.035 2.063 1.00 0.00 C ATOM 720 SG CYS A 48 10.290 -0.710 0.561 1.00 0.00 S ATOM 0 H CYS A 48 8.313 1.099 3.889 1.00 0.00 H new ATOM 0 HA CYS A 48 8.734 1.825 1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.357 0.596 2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.260 -0.762 2.735 1.00 0.00 H new ATOM 725 N PRO A 49 7.142 0.665 -0.271 1.00 0.00 N ATOM 726 CA PRO A 49 6.160 0.063 -1.178 1.00 0.00 C ATOM 727 C PRO A 49 6.561 -1.340 -1.619 1.00 0.00 C ATOM 728 O PRO A 49 5.948 -1.919 -2.516 1.00 0.00 O ATOM 729 CB PRO A 49 6.151 1.018 -2.374 1.00 0.00 C ATOM 730 CG PRO A 49 7.492 1.666 -2.352 1.00 0.00 C ATOM 731 CD PRO A 49 7.874 1.776 -0.902 1.00 0.00 C ATOM 0 HA PRO A 49 5.186 -0.057 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.986 0.481 -3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.353 1.756 -2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.221 1.073 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.459 2.649 -2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.951 1.679 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.583 2.739 -0.482 1.00 0.00 H new ATOM 739 N HIS A 50 7.595 -1.882 -0.983 1.00 0.00 N ATOM 740 CA HIS A 50 8.078 -3.220 -1.310 1.00 0.00 C ATOM 741 C HIS A 50 8.076 -4.115 -0.074 1.00 0.00 C ATOM 742 O HIS A 50 7.255 -5.025 0.045 1.00 0.00 O ATOM 743 CB HIS A 50 9.487 -3.146 -1.899 1.00 0.00 C ATOM 744 CG HIS A 50 9.631 -2.120 -2.980 1.00 0.00 C ATOM 745 ND1 HIS A 50 8.815 -2.076 -4.090 1.00 0.00 N ATOM 746 CD2 HIS A 50 10.504 -1.094 -3.116 1.00 0.00 C ATOM 747 CE1 HIS A 50 9.180 -1.069 -4.863 1.00 0.00 C ATOM 748 NE2 HIS A 50 10.202 -0.456 -4.294 1.00 0.00 N ATOM 0 H HIS A 50 8.114 -1.416 -0.239 1.00 0.00 H new ATOM 0 HA HIS A 50 7.405 -3.652 -2.051 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.194 -2.922 -1.100 1.00 0.00 H new ATOM 0 HB3 HIS A 50 9.757 -4.123 -2.299 1.00 0.00 H new ATOM 0 HD1 HIS A 50 8.049 -2.721 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.291 -0.827 -2.426 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.721 -0.794 -5.801 1.00 0.00 H new ATOM 756 N CYS A 51 9.001 -3.852 0.842 1.00 0.00 N ATOM 757 CA CYS A 51 9.108 -4.633 2.068 1.00 0.00 C ATOM 758 C CYS A 51 8.623 -3.828 3.271 1.00 0.00 C ATOM 759 O CYS A 51 8.247 -2.663 3.140 1.00 0.00 O ATOM 760 CB CYS A 51 10.554 -5.080 2.289 1.00 0.00 C ATOM 761 SG CYS A 51 11.680 -3.736 2.785 1.00 0.00 S ATOM 0 H CYS A 51 9.688 -3.103 0.758 1.00 0.00 H new ATOM 0 HA CYS A 51 8.475 -5.514 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.570 -5.855 3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.928 -5.532 1.370 1.00 0.00 H new ATOM 766 N ASP A 52 8.635 -4.458 4.441 1.00 0.00 N ATOM 767 CA ASP A 52 8.199 -3.800 5.667 1.00 0.00 C ATOM 768 C ASP A 52 9.324 -2.961 6.263 1.00 0.00 C ATOM 769 O ASP A 52 10.065 -3.422 7.132 1.00 0.00 O ATOM 770 CB ASP A 52 7.725 -4.838 6.686 1.00 0.00 C ATOM 771 CG ASP A 52 6.645 -5.744 6.129 1.00 0.00 C ATOM 772 OD1 ASP A 52 5.633 -5.218 5.621 1.00 0.00 O ATOM 773 OD2 ASP A 52 6.810 -6.980 6.203 1.00 0.00 O ATOM 0 H ASP A 52 8.942 -5.423 4.566 1.00 0.00 H new ATOM 0 HA ASP A 52 7.369 -3.138 5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.573 -5.443 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.346 -4.327 7.571 1.00 0.00 H new ATOM 778 N THR A 53 9.447 -1.724 5.791 1.00 0.00 N ATOM 779 CA THR A 53 10.483 -0.820 6.275 1.00 0.00 C ATOM 780 C THR A 53 9.923 0.576 6.520 1.00 0.00 C ATOM 781 O THR A 53 9.547 1.279 5.582 1.00 0.00 O ATOM 782 CB THR A 53 11.655 -0.724 5.280 1.00 0.00 C ATOM 783 OG1 THR A 53 12.257 -2.012 5.107 1.00 0.00 O ATOM 784 CG2 THR A 53 12.699 0.268 5.769 1.00 0.00 C ATOM 0 H THR A 53 8.841 -1.325 5.074 1.00 0.00 H new ATOM 0 HA THR A 53 10.848 -1.232 7.216 1.00 0.00 H new ATOM 0 HB THR A 53 11.264 -0.375 4.324 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.968 -2.396 4.253 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.517 0.319 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.244 1.253 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.085 -0.057 6.735 1.00 0.00 H new ATOM 792 N VAL A 54 9.871 0.974 7.788 1.00 0.00 N ATOM 793 CA VAL A 54 9.359 2.288 8.156 1.00 0.00 C ATOM 794 C VAL A 54 10.359 3.385 7.808 1.00 0.00 C ATOM 795 O VAL A 54 11.551 3.266 8.095 1.00 0.00 O ATOM 796 CB VAL A 54 9.034 2.363 9.660 1.00 0.00 C ATOM 797 CG1 VAL A 54 8.579 3.764 10.039 1.00 0.00 C ATOM 798 CG2 VAL A 54 7.978 1.332 10.028 1.00 0.00 C ATOM 0 H VAL A 54 10.177 0.405 8.577 1.00 0.00 H new ATOM 0 HA VAL A 54 8.443 2.441 7.586 1.00 0.00 H new ATOM 0 HB VAL A 54 9.940 2.138 10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.354 3.798 11.105 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.371 4.478 9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.685 4.022 9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.760 1.399 11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.068 1.524 9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.348 0.333 9.795 1.00 0.00 H new ATOM 808 N ILE A 55 9.867 4.453 7.189 1.00 0.00 N ATOM 809 CA ILE A 55 10.717 5.572 6.804 1.00 0.00 C ATOM 810 C ILE A 55 10.230 6.874 7.430 1.00 0.00 C ATOM 811 O ILE A 55 9.032 7.159 7.442 1.00 0.00 O ATOM 812 CB ILE A 55 10.769 5.739 5.274 1.00 0.00 C ATOM 813 CG1 ILE A 55 11.189 4.426 4.609 1.00 0.00 C ATOM 814 CG2 ILE A 55 11.725 6.860 4.895 1.00 0.00 C ATOM 815 CD1 ILE A 55 12.526 3.906 5.090 1.00 0.00 C ATOM 0 H ILE A 55 8.884 4.567 6.943 1.00 0.00 H new ATOM 0 HA ILE A 55 11.719 5.348 7.171 1.00 0.00 H new ATOM 0 HB ILE A 55 9.773 6.002 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.425 3.672 4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.232 4.572 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.750 6.965 3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.386 7.794 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.725 6.625 5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.760 2.973 4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.301 4.642 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.482 3.727 6.164 1.00 0.00 H new ATOM 827 N ALA A 56 11.166 7.662 7.948 1.00 0.00 N ATOM 828 CA ALA A 56 10.832 8.936 8.572 1.00 0.00 C ATOM 829 C ALA A 56 10.530 10.000 7.522 1.00 0.00 C ATOM 830 O ALA A 56 9.383 10.415 7.358 1.00 0.00 O ATOM 831 CB ALA A 56 11.967 9.393 9.478 1.00 0.00 C ATOM 0 H ALA A 56 12.162 7.440 7.948 1.00 0.00 H new ATOM 0 HA ALA A 56 9.935 8.793 9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.704 10.346 9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.134 8.648 10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.877 9.513 8.890 1.00 0.00 H new ATOM 837 N ARG A 57 11.566 10.437 6.814 1.00 0.00 N ATOM 838 CA ARG A 57 11.411 11.453 5.780 1.00 0.00 C ATOM 839 C ARG A 57 11.601 10.851 4.391 1.00 0.00 C ATOM 840 O ARG A 57 12.223 9.800 4.239 1.00 0.00 O ATOM 841 CB ARG A 57 12.414 12.588 5.997 1.00 0.00 C ATOM 842 CG ARG A 57 13.863 12.161 5.830 1.00 0.00 C ATOM 843 CD ARG A 57 14.472 11.728 7.155 1.00 0.00 C ATOM 844 NE ARG A 57 15.920 11.913 7.178 1.00 0.00 N ATOM 845 CZ ARG A 57 16.623 12.072 8.294 1.00 0.00 C ATOM 846 NH1 ARG A 57 16.014 12.066 9.471 1.00 0.00 N ATOM 847 NH2 ARG A 57 17.938 12.235 8.233 1.00 0.00 N ATOM 0 H ARG A 57 12.522 10.103 6.937 1.00 0.00 H new ATOM 0 HA ARG A 57 10.399 11.852 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.198 13.392 5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.277 12.996 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.922 11.340 5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.441 12.986 5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.021 12.300 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.238 10.679 7.336 1.00 0.00 H new ATOM 0 HE ARG A 57 16.419 11.921 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 57 15.003 11.939 9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 57 16.556 12.188 10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 57 18.410 12.238 7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 57 18.477 12.357 9.090 1.00 0.00 H new ATOM 861 N LYS A 58 11.059 11.523 3.381 1.00 0.00 N ATOM 862 CA LYS A 58 11.169 11.056 2.005 1.00 0.00 C ATOM 863 C LYS A 58 12.620 11.083 1.534 1.00 0.00 C ATOM 864 O LYS A 58 13.130 10.094 1.008 1.00 0.00 O ATOM 865 CB LYS A 58 10.306 11.919 1.081 1.00 0.00 C ATOM 866 CG LYS A 58 8.856 11.473 1.012 1.00 0.00 C ATOM 867 CD LYS A 58 8.638 10.455 -0.095 1.00 0.00 C ATOM 868 CE LYS A 58 8.562 11.123 -1.460 1.00 0.00 C ATOM 869 NZ LYS A 58 7.168 11.511 -1.810 1.00 0.00 N ATOM 0 H LYS A 58 10.539 12.394 3.490 1.00 0.00 H new ATOM 0 HA LYS A 58 10.813 10.026 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.343 12.953 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.731 11.900 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.561 11.041 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.216 12.339 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.451 9.729 -0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.717 9.903 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.198 12.008 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.952 10.444 -2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.133 11.821 -2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.537 10.694 -1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.859 12.289 -1.193 1.00 0.00 H new ATOM 883 N SER A 59 13.279 12.221 1.729 1.00 0.00 N ATOM 884 CA SER A 59 14.670 12.377 1.323 1.00 0.00 C ATOM 885 C SER A 59 15.473 11.119 1.639 1.00 0.00 C ATOM 886 O SER A 59 16.423 10.781 0.932 1.00 0.00 O ATOM 887 CB SER A 59 15.296 13.584 2.023 1.00 0.00 C ATOM 888 OG SER A 59 16.526 13.944 1.419 1.00 0.00 O ATOM 0 H SER A 59 12.872 13.048 2.166 1.00 0.00 H new ATOM 0 HA SER A 59 14.691 12.540 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.608 14.428 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.458 13.354 3.076 1.00 0.00 H new ATOM 0 HG SER A 59 16.904 14.719 1.884 1.00 0.00 H new ATOM 894 N ASP A 60 15.085 10.430 2.706 1.00 0.00 N ATOM 895 CA ASP A 60 15.767 9.208 3.117 1.00 0.00 C ATOM 896 C ASP A 60 15.187 7.994 2.398 1.00 0.00 C ATOM 897 O ASP A 60 15.916 7.076 2.020 1.00 0.00 O ATOM 898 CB ASP A 60 15.655 9.021 4.631 1.00 0.00 C ATOM 899 CG ASP A 60 16.805 9.666 5.380 1.00 0.00 C ATOM 900 OD1 ASP A 60 17.439 10.584 4.818 1.00 0.00 O ATOM 901 OD2 ASP A 60 17.069 9.254 6.529 1.00 0.00 O ATOM 0 H ASP A 60 14.302 10.697 3.302 1.00 0.00 H new ATOM 0 HA ASP A 60 16.819 9.300 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.714 9.448 4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.627 7.956 4.862 1.00 0.00 H new ATOM 906 N LEU A 61 13.871 7.994 2.214 1.00 0.00 N ATOM 907 CA LEU A 61 13.192 6.892 1.541 1.00 0.00 C ATOM 908 C LEU A 61 14.025 6.370 0.375 1.00 0.00 C ATOM 909 O LEU A 61 14.280 5.172 0.268 1.00 0.00 O ATOM 910 CB LEU A 61 11.819 7.343 1.041 1.00 0.00 C ATOM 911 CG LEU A 61 11.025 6.311 0.239 1.00 0.00 C ATOM 912 CD1 LEU A 61 10.778 5.063 1.072 1.00 0.00 C ATOM 913 CD2 LEU A 61 9.707 6.905 -0.238 1.00 0.00 C ATOM 0 H LEU A 61 13.253 8.745 2.521 1.00 0.00 H new ATOM 0 HA LEU A 61 13.062 6.084 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.221 7.643 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.953 8.230 0.422 1.00 0.00 H new ATOM 0 HG LEU A 61 11.612 6.029 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.212 4.340 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.733 4.625 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.212 5.328 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.155 6.157 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.115 7.215 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.906 7.769 -0.872 1.00 0.00 H new ATOM 925 N GLY A 62 14.448 7.280 -0.497 1.00 0.00 N ATOM 926 CA GLY A 62 15.250 6.893 -1.643 1.00 0.00 C ATOM 927 C GLY A 62 16.420 6.010 -1.260 1.00 0.00 C ATOM 928 O GLY A 62 16.552 4.890 -1.756 1.00 0.00 O ATOM 0 H GLY A 62 14.250 8.278 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.621 6.367 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.622 7.788 -2.141 1.00 0.00 H new ATOM 932 N VAL A 63 17.275 6.514 -0.376 1.00 0.00 N ATOM 933 CA VAL A 63 18.442 5.763 0.074 1.00 0.00 C ATOM 934 C VAL A 63 18.097 4.296 0.303 1.00 0.00 C ATOM 935 O VAL A 63 18.859 3.402 -0.067 1.00 0.00 O ATOM 936 CB VAL A 63 19.022 6.352 1.373 1.00 0.00 C ATOM 937 CG1 VAL A 63 20.193 5.515 1.863 1.00 0.00 C ATOM 938 CG2 VAL A 63 19.441 7.799 1.162 1.00 0.00 C ATOM 0 H VAL A 63 17.182 7.439 0.043 1.00 0.00 H new ATOM 0 HA VAL A 63 19.190 5.838 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 63 18.246 6.331 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 63 20.590 5.947 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.856 4.496 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 63 20.974 5.501 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 63 19.849 8.199 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 63 20.200 7.848 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.575 8.389 0.862 1.00 0.00 H new ATOM 948 N HIS A 64 16.942 4.054 0.915 1.00 0.00 N ATOM 949 CA HIS A 64 16.494 2.694 1.193 1.00 0.00 C ATOM 950 C HIS A 64 16.124 1.970 -0.097 1.00 0.00 C ATOM 951 O HIS A 64 16.398 0.779 -0.253 1.00 0.00 O ATOM 952 CB HIS A 64 15.296 2.713 2.143 1.00 0.00 C ATOM 953 CG HIS A 64 14.564 1.408 2.210 1.00 0.00 C ATOM 954 ND1 HIS A 64 15.093 0.279 2.798 1.00 0.00 N ATOM 955 CD2 HIS A 64 13.336 1.057 1.761 1.00 0.00 C ATOM 956 CE1 HIS A 64 14.223 -0.711 2.706 1.00 0.00 C ATOM 957 NE2 HIS A 64 13.148 -0.265 2.081 1.00 0.00 N ATOM 0 H HIS A 64 16.299 4.782 1.228 1.00 0.00 H new ATOM 0 HA HIS A 64 17.315 2.157 1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.640 2.979 3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.604 3.493 1.826 1.00 0.00 H new ATOM 0 HD1 HIS A 64 16.012 0.218 3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.635 1.698 1.247 1.00 0.00 H new ATOM 0 HE1 HIS A 64 14.366 -1.715 3.079 1.00 0.00 H new ATOM 965 N LEU A 65 15.500 2.695 -1.019 1.00 0.00 N ATOM 966 CA LEU A 65 15.092 2.121 -2.296 1.00 0.00 C ATOM 967 C LEU A 65 16.304 1.825 -3.173 1.00 0.00 C ATOM 968 O LEU A 65 16.275 0.917 -4.004 1.00 0.00 O ATOM 969 CB LEU A 65 14.141 3.073 -3.025 1.00 0.00 C ATOM 970 CG LEU A 65 12.673 3.008 -2.603 1.00 0.00 C ATOM 971 CD1 LEU A 65 11.901 4.186 -3.176 1.00 0.00 C ATOM 972 CD2 LEU A 65 12.048 1.693 -3.046 1.00 0.00 C ATOM 0 H LEU A 65 15.266 3.681 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 65 14.575 1.183 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.496 4.093 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.201 2.866 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 65 12.625 3.062 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.858 4.123 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.333 5.117 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.957 4.163 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.003 1.664 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.108 1.609 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.585 0.862 -2.588 1.00 0.00 H new ATOM 984 N ARG A 66 17.369 2.596 -2.981 1.00 0.00 N ATOM 985 CA ARG A 66 18.593 2.416 -3.753 1.00 0.00 C ATOM 986 C ARG A 66 19.486 1.355 -3.117 1.00 0.00 C ATOM 987 O ARG A 66 20.056 0.511 -3.809 1.00 0.00 O ATOM 988 CB ARG A 66 19.352 3.739 -3.861 1.00 0.00 C ATOM 989 CG ARG A 66 18.582 4.825 -4.595 1.00 0.00 C ATOM 990 CD ARG A 66 19.433 6.069 -4.802 1.00 0.00 C ATOM 991 NE ARG A 66 19.361 6.976 -3.660 1.00 0.00 N ATOM 992 CZ ARG A 66 18.406 7.886 -3.502 1.00 0.00 C ATOM 993 NH1 ARG A 66 17.447 8.008 -4.409 1.00 0.00 N ATOM 994 NH2 ARG A 66 18.410 8.676 -2.436 1.00 0.00 N ATOM 0 H ARG A 66 17.409 3.352 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 66 18.316 2.081 -4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.595 4.092 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.297 3.565 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.248 4.446 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.688 5.085 -4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.470 5.776 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.102 6.590 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 66 20.084 6.907 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.441 7.403 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.715 8.707 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.147 8.585 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.676 9.374 -2.316 1.00 0.00 H new ATOM 1008 N LYS A 67 19.604 1.404 -1.794 1.00 0.00 N ATOM 1009 CA LYS A 67 20.427 0.448 -1.063 1.00 0.00 C ATOM 1010 C LYS A 67 19.776 -0.931 -1.049 1.00 0.00 C ATOM 1011 O LYS A 67 20.217 -1.842 -1.749 1.00 0.00 O ATOM 1012 CB LYS A 67 20.654 0.931 0.371 1.00 0.00 C ATOM 1013 CG LYS A 67 21.869 1.829 0.525 1.00 0.00 C ATOM 1014 CD LYS A 67 21.839 2.982 -0.465 1.00 0.00 C ATOM 1015 CE LYS A 67 23.198 3.658 -0.574 1.00 0.00 C ATOM 1016 NZ LYS A 67 23.577 4.349 0.689 1.00 0.00 N ATOM 0 H LYS A 67 19.140 2.096 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 67 21.389 0.371 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.769 1.470 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.767 0.065 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.906 2.222 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.776 1.244 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.535 2.614 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.092 3.712 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.955 2.914 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.180 4.379 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.827 5.337 0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.776 4.326 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.394 3.868 1.116 1.00 0.00 H new ATOM 1030 N GLN A 68 18.724 -1.077 -0.249 1.00 0.00 N ATOM 1031 CA GLN A 68 18.013 -2.345 -0.145 1.00 0.00 C ATOM 1032 C GLN A 68 17.526 -2.809 -1.514 1.00 0.00 C ATOM 1033 O GLN A 68 17.732 -3.960 -1.901 1.00 0.00 O ATOM 1034 CB GLN A 68 16.828 -2.213 0.813 1.00 0.00 C ATOM 1035 CG GLN A 68 17.235 -2.130 2.275 1.00 0.00 C ATOM 1036 CD GLN A 68 17.846 -3.421 2.785 1.00 0.00 C ATOM 1037 OE1 GLN A 68 17.133 -4.353 3.160 1.00 0.00 O ATOM 1038 NE2 GLN A 68 19.172 -3.483 2.801 1.00 0.00 N ATOM 0 H GLN A 68 18.346 -0.332 0.336 1.00 0.00 H new ATOM 0 HA GLN A 68 18.706 -3.090 0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.258 -1.321 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.164 -3.067 0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.951 -1.318 2.403 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.361 -1.883 2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 68 19.724 -2.687 2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 68 19.639 -4.327 3.133 1.00 0.00 H new ATOM 1047 N HIS A 69 16.877 -1.906 -2.243 1.00 0.00 N ATOM 1048 CA HIS A 69 16.360 -2.223 -3.570 1.00 0.00 C ATOM 1049 C HIS A 69 17.201 -1.556 -4.654 1.00 0.00 C ATOM 1050 O HIS A 69 18.204 -0.905 -4.363 1.00 0.00 O ATOM 1051 CB HIS A 69 14.903 -1.778 -3.692 1.00 0.00 C ATOM 1052 CG HIS A 69 14.001 -2.390 -2.664 1.00 0.00 C ATOM 1053 ND1 HIS A 69 13.446 -3.644 -2.800 1.00 0.00 N ATOM 1054 CD2 HIS A 69 13.561 -1.912 -1.476 1.00 0.00 C ATOM 1055 CE1 HIS A 69 12.702 -3.912 -1.742 1.00 0.00 C ATOM 1056 NE2 HIS A 69 12.755 -2.876 -0.923 1.00 0.00 N ATOM 0 H HIS A 69 16.697 -0.950 -1.937 1.00 0.00 H new ATOM 0 HA HIS A 69 16.414 -3.303 -3.706 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.855 -0.693 -3.605 1.00 0.00 H new ATOM 0 HB3 HIS A 69 14.535 -2.035 -4.685 1.00 0.00 H new ATOM 0 HD1 HIS A 69 13.588 -4.268 -3.594 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.800 -0.951 -1.044 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.145 -4.822 -1.575 1.00 0.00 H new ATOM 1064 N SER A 70 16.785 -1.723 -5.906 1.00 0.00 N ATOM 1065 CA SER A 70 17.502 -1.141 -7.034 1.00 0.00 C ATOM 1066 C SER A 70 16.767 0.082 -7.573 1.00 0.00 C ATOM 1067 O SER A 70 15.730 -0.041 -8.225 1.00 0.00 O ATOM 1068 CB SER A 70 17.674 -2.178 -8.146 1.00 0.00 C ATOM 1069 OG SER A 70 18.316 -3.345 -7.660 1.00 0.00 O ATOM 0 H SER A 70 15.955 -2.257 -6.164 1.00 0.00 H new ATOM 0 HA SER A 70 18.485 -0.827 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.699 -2.440 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.259 -1.750 -8.960 1.00 0.00 H new ATOM 0 HG SER A 70 18.413 -3.993 -8.389 1.00 0.00 H new ATOM 1075 N TYR A 71 17.311 1.261 -7.295 1.00 0.00 N ATOM 1076 CA TYR A 71 16.706 2.508 -7.749 1.00 0.00 C ATOM 1077 C TYR A 71 17.776 3.530 -8.119 1.00 0.00 C ATOM 1078 O TYR A 71 18.871 3.530 -7.555 1.00 0.00 O ATOM 1079 CB TYR A 71 15.792 3.080 -6.664 1.00 0.00 C ATOM 1080 CG TYR A 71 14.361 2.600 -6.762 1.00 0.00 C ATOM 1081 CD1 TYR A 71 13.952 1.438 -6.120 1.00 0.00 C ATOM 1082 CD2 TYR A 71 13.418 3.310 -7.495 1.00 0.00 C ATOM 1083 CE1 TYR A 71 12.647 0.995 -6.208 1.00 0.00 C ATOM 1084 CE2 TYR A 71 12.110 2.875 -7.587 1.00 0.00 C ATOM 1085 CZ TYR A 71 11.729 1.717 -6.942 1.00 0.00 C ATOM 1086 OH TYR A 71 10.427 1.280 -7.031 1.00 0.00 O ATOM 0 H TYR A 71 18.170 1.380 -6.758 1.00 0.00 H new ATOM 0 HA TYR A 71 16.113 2.292 -8.638 1.00 0.00 H new ATOM 0 HB2 TYR A 71 16.191 2.811 -5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 71 15.806 4.168 -6.725 1.00 0.00 H new ATOM 0 HD1 TYR A 71 14.667 0.871 -5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 71 13.713 4.217 -8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.347 0.088 -5.705 1.00 0.00 H new ATOM 0 HE2 TYR A 71 11.390 3.439 -8.161 1.00 0.00 H new ATOM 0 HH TYR A 71 9.910 1.903 -7.584 1.00 0.00 H new ATOM 1096 N SER A 72 17.451 4.400 -9.070 1.00 0.00 N ATOM 1097 CA SER A 72 18.385 5.426 -9.519 1.00 0.00 C ATOM 1098 C SER A 72 18.050 6.776 -8.892 1.00 0.00 C ATOM 1099 O SER A 72 16.890 7.072 -8.610 1.00 0.00 O ATOM 1100 CB SER A 72 18.358 5.538 -11.044 1.00 0.00 C ATOM 1101 OG SER A 72 17.036 5.723 -11.519 1.00 0.00 O ATOM 0 H SER A 72 16.548 4.415 -9.544 1.00 0.00 H new ATOM 0 HA SER A 72 19.386 5.136 -9.201 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.982 6.374 -11.361 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.783 4.637 -11.485 1.00 0.00 H new ATOM 0 HG SER A 72 17.046 5.793 -12.496 1.00 0.00 H new ATOM 1107 N GLY A 73 19.077 7.593 -8.678 1.00 0.00 N ATOM 1108 CA GLY A 73 18.873 8.903 -8.087 1.00 0.00 C ATOM 1109 C GLY A 73 19.545 10.007 -8.878 1.00 0.00 C ATOM 1110 O GLY A 73 19.960 9.817 -10.021 1.00 0.00 O ATOM 0 H GLY A 73 20.047 7.371 -8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.804 9.106 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 73 19.260 8.903 -7.068 1.00 0.00 H new ATOM 1114 N PRO A 74 19.658 11.195 -8.265 1.00 0.00 N ATOM 1115 CA PRO A 74 20.283 12.358 -8.901 1.00 0.00 C ATOM 1116 C PRO A 74 21.790 12.189 -9.066 1.00 0.00 C ATOM 1117 O PRO A 74 22.530 12.142 -8.084 1.00 0.00 O ATOM 1118 CB PRO A 74 19.977 13.501 -7.930 1.00 0.00 C ATOM 1119 CG PRO A 74 19.793 12.837 -6.609 1.00 0.00 C ATOM 1120 CD PRO A 74 19.186 11.493 -6.902 1.00 0.00 C ATOM 0 HA PRO A 74 19.903 12.524 -9.909 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.792 14.224 -7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.080 14.044 -8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 74 20.745 12.730 -6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 74 19.142 13.427 -5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.517 10.739 -6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.098 11.524 -6.851 1.00 0.00 H new ATOM 1128 N SER A 75 22.237 12.099 -10.315 1.00 0.00 N ATOM 1129 CA SER A 75 23.656 11.932 -10.608 1.00 0.00 C ATOM 1130 C SER A 75 24.397 13.259 -10.482 1.00 0.00 C ATOM 1131 O SER A 75 25.436 13.343 -9.827 1.00 0.00 O ATOM 1132 CB SER A 75 23.843 11.362 -12.015 1.00 0.00 C ATOM 1133 OG SER A 75 23.290 12.225 -12.993 1.00 0.00 O ATOM 0 H SER A 75 21.638 12.139 -11.139 1.00 0.00 H new ATOM 0 HA SER A 75 24.072 11.234 -9.882 1.00 0.00 H new ATOM 0 HB2 SER A 75 24.905 11.216 -12.213 1.00 0.00 H new ATOM 0 HB3 SER A 75 23.369 10.383 -12.080 1.00 0.00 H new ATOM 0 HG SER A 75 23.424 11.839 -13.884 1.00 0.00 H new ATOM 1139 N SER A 76 23.854 14.295 -11.114 1.00 0.00 N ATOM 1140 CA SER A 76 24.464 15.619 -11.077 1.00 0.00 C ATOM 1141 C SER A 76 25.885 15.578 -11.633 1.00 0.00 C ATOM 1142 O SER A 76 26.797 16.190 -11.080 1.00 0.00 O ATOM 1143 CB SER A 76 24.481 16.156 -9.645 1.00 0.00 C ATOM 1144 OG SER A 76 23.193 16.080 -9.057 1.00 0.00 O ATOM 0 H SER A 76 22.993 14.243 -11.658 1.00 0.00 H new ATOM 0 HA SER A 76 23.867 16.285 -11.700 1.00 0.00 H new ATOM 0 HB2 SER A 76 25.191 15.585 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.824 17.191 -9.645 1.00 0.00 H new ATOM 0 HG SER A 76 23.230 16.427 -8.141 1.00 0.00 H new ATOM 1150 N GLY A 77 26.063 14.850 -12.731 1.00 0.00 N ATOM 1151 CA GLY A 77 27.374 14.742 -13.345 1.00 0.00 C ATOM 1152 C GLY A 77 27.306 14.233 -14.771 1.00 0.00 C ATOM 1153 O GLY A 77 26.410 14.638 -15.510 1.00 0.00 O ATOM 0 H GLY A 77 25.323 14.333 -13.206 1.00 0.00 H new ATOM 0 HA2 GLY A 77 27.859 15.718 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 77 27.995 14.071 -12.752 1.00 0.00 H new TER 1157 GLY A 77 HETATM 1158 ZN ZN A 201 -4.600 8.830 -3.489 1.00 0.00 ZN HETATM 1159 ZN ZN A 401 12.051 -2.113 1.159 1.00 0.00 ZN