USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=25 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= -11.2! C(o=-13!,f=-20!) USER MOD Set 1.2: A 71 TYR OH : rot 76:sc= -1.82! USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 LYS NZ :NH3+ -120:sc= 0.0507 (180deg=-0.0634) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0843 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 0.154 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= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 11 SER OG : rot 27:sc= 0.212 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.456 X(o=-0.46,f=-0.00053) USER MOD Single : A 26 THR OG1 : rot -15:sc= 0.154 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 28 SER OG : rot 180:sc= -0.126 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 158:sc= -0.288 (180deg=-1.23) USER MOD Single : A 32 LYS NZ :NH3+ -121:sc= -1.1 (180deg=-3.56!) USER MOD Single : A 33 MET CE :methyl 151:sc= -0.133 (180deg=-0.457) USER MOD Single : A 37 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.035) 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) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 53 THR OG1 : rot 97:sc= 1.36 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.33) 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 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.010 8.525 -38.566 1.00 0.00 N ATOM 2 CA GLY A 1 -17.329 8.245 -37.315 1.00 0.00 C ATOM 3 C GLY A 1 -17.711 6.896 -36.736 1.00 0.00 C ATOM 4 O GLY A 1 -18.427 6.121 -37.370 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.309 8.760 -39.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.551 7.688 -38.862 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.658 9.328 -38.436 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.251 8.276 -37.477 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.565 9.027 -36.593 1.00 0.00 H new ATOM 8 N SER A 2 -17.231 6.615 -35.529 1.00 0.00 N ATOM 9 CA SER A 2 -17.521 5.348 -34.868 1.00 0.00 C ATOM 10 C SER A 2 -19.008 5.017 -34.956 1.00 0.00 C ATOM 11 O SER A 2 -19.395 3.993 -35.519 1.00 0.00 O ATOM 12 CB SER A 2 -17.086 5.403 -33.402 1.00 0.00 C ATOM 13 OG SER A 2 -15.708 5.717 -33.291 1.00 0.00 O ATOM 0 H SER A 2 -16.640 7.247 -34.989 1.00 0.00 H new ATOM 0 HA SER A 2 -16.961 4.564 -35.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.676 6.150 -32.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.283 4.443 -32.924 1.00 0.00 H new ATOM 0 HG SER A 2 -15.455 5.748 -32.345 1.00 0.00 H new ATOM 19 N SER A 3 -19.837 5.893 -34.396 1.00 0.00 N ATOM 20 CA SER A 3 -21.281 5.693 -34.407 1.00 0.00 C ATOM 21 C SER A 3 -21.677 4.536 -33.496 1.00 0.00 C ATOM 22 O SER A 3 -22.527 3.718 -33.845 1.00 0.00 O ATOM 23 CB SER A 3 -21.769 5.425 -35.832 1.00 0.00 C ATOM 24 OG SER A 3 -23.120 5.820 -35.992 1.00 0.00 O ATOM 0 H SER A 3 -19.533 6.748 -33.929 1.00 0.00 H new ATOM 0 HA SER A 3 -21.751 6.603 -34.034 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.143 5.965 -36.542 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.668 4.364 -36.061 1.00 0.00 H new ATOM 0 HG SER A 3 -23.407 5.640 -36.912 1.00 0.00 H new ATOM 30 N GLY A 4 -21.052 4.473 -32.323 1.00 0.00 N ATOM 31 CA GLY A 4 -21.351 3.413 -31.379 1.00 0.00 C ATOM 32 C GLY A 4 -20.633 3.595 -30.056 1.00 0.00 C ATOM 33 O GLY A 4 -19.426 3.373 -29.962 1.00 0.00 O ATOM 0 H GLY A 4 -20.344 5.138 -32.011 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.426 3.380 -31.204 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.069 2.454 -31.813 1.00 0.00 H new ATOM 37 N SER A 5 -21.376 4.003 -29.032 1.00 0.00 N ATOM 38 CA SER A 5 -20.802 4.220 -27.710 1.00 0.00 C ATOM 39 C SER A 5 -20.802 2.928 -26.898 1.00 0.00 C ATOM 40 O SER A 5 -21.849 2.319 -26.680 1.00 0.00 O ATOM 41 CB SER A 5 -21.582 5.304 -26.964 1.00 0.00 C ATOM 42 OG SER A 5 -22.972 5.026 -26.968 1.00 0.00 O ATOM 0 H SER A 5 -22.377 4.190 -29.093 1.00 0.00 H new ATOM 0 HA SER A 5 -19.770 4.548 -27.839 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.224 5.372 -25.937 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.400 6.273 -27.429 1.00 0.00 H new ATOM 0 HG SER A 5 -23.113 4.060 -26.879 1.00 0.00 H new ATOM 48 N SER A 6 -19.619 2.516 -26.454 1.00 0.00 N ATOM 49 CA SER A 6 -19.481 1.294 -25.670 1.00 0.00 C ATOM 50 C SER A 6 -19.185 1.617 -24.208 1.00 0.00 C ATOM 51 O SER A 6 -18.237 2.339 -23.900 1.00 0.00 O ATOM 52 CB SER A 6 -18.367 0.417 -26.245 1.00 0.00 C ATOM 53 OG SER A 6 -18.055 -0.652 -25.369 1.00 0.00 O ATOM 0 H SER A 6 -18.743 3.010 -26.624 1.00 0.00 H new ATOM 0 HA SER A 6 -20.425 0.751 -25.721 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.675 0.020 -27.212 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.477 1.022 -26.417 1.00 0.00 H new ATOM 0 HG SER A 6 -17.342 -1.198 -25.760 1.00 0.00 H new ATOM 59 N GLY A 7 -20.004 1.077 -23.312 1.00 0.00 N ATOM 60 CA GLY A 7 -19.815 1.319 -21.893 1.00 0.00 C ATOM 61 C GLY A 7 -21.038 0.956 -21.075 1.00 0.00 C ATOM 62 O GLY A 7 -21.764 1.834 -20.609 1.00 0.00 O ATOM 0 H GLY A 7 -20.795 0.476 -23.543 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.961 0.741 -21.540 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.576 2.371 -21.736 1.00 0.00 H new ATOM 66 N ARG A 8 -21.268 -0.341 -20.900 1.00 0.00 N ATOM 67 CA ARG A 8 -22.414 -0.818 -20.135 1.00 0.00 C ATOM 68 C ARG A 8 -21.959 -1.591 -18.901 1.00 0.00 C ATOM 69 O ARG A 8 -22.456 -1.368 -17.796 1.00 0.00 O ATOM 70 CB ARG A 8 -23.303 -1.706 -21.007 1.00 0.00 C ATOM 71 CG ARG A 8 -24.746 -1.774 -20.535 1.00 0.00 C ATOM 72 CD ARG A 8 -25.503 -2.902 -21.219 1.00 0.00 C ATOM 73 NE ARG A 8 -26.706 -3.280 -20.481 1.00 0.00 N ATOM 74 CZ ARG A 8 -27.693 -3.999 -21.004 1.00 0.00 C ATOM 75 NH1 ARG A 8 -27.620 -4.416 -22.260 1.00 0.00 N ATOM 76 NH2 ARG A 8 -28.755 -4.302 -20.269 1.00 0.00 N ATOM 0 H ARG A 8 -20.676 -1.081 -21.278 1.00 0.00 H new ATOM 0 HA ARG A 8 -22.988 0.049 -19.809 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.282 -1.333 -22.031 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -22.888 -2.714 -21.026 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.770 -1.920 -19.455 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -25.242 -0.825 -20.739 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.778 -2.594 -22.228 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.850 -3.769 -21.317 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.793 -2.975 -19.511 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -26.805 -4.185 -22.827 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.379 -4.968 -22.659 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.814 -3.983 -19.302 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.513 -4.854 -20.671 1.00 0.00 H new ATOM 90 N THR A 9 -21.011 -2.503 -19.095 1.00 0.00 N ATOM 91 CA THR A 9 -20.491 -3.311 -17.999 1.00 0.00 C ATOM 92 C THR A 9 -19.546 -2.500 -17.120 1.00 0.00 C ATOM 93 O THR A 9 -18.513 -2.016 -17.583 1.00 0.00 O ATOM 94 CB THR A 9 -19.748 -4.555 -18.521 1.00 0.00 C ATOM 95 OG1 THR A 9 -19.325 -5.370 -17.423 1.00 0.00 O ATOM 96 CG2 THR A 9 -18.542 -4.154 -19.357 1.00 0.00 C ATOM 0 H THR A 9 -20.588 -2.700 -20.002 1.00 0.00 H new ATOM 0 HA THR A 9 -21.349 -3.632 -17.408 1.00 0.00 H new ATOM 0 HB THR A 9 -20.433 -5.123 -19.150 1.00 0.00 H new ATOM 0 HG1 THR A 9 -18.855 -6.160 -17.764 1.00 0.00 H new ATOM 0 HG21 THR A 9 -18.033 -5.049 -19.715 1.00 0.00 H new ATOM 0 HG22 THR A 9 -18.871 -3.559 -20.209 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.856 -3.566 -18.747 1.00 0.00 H new ATOM 104 N HIS A 10 -19.904 -2.357 -15.848 1.00 0.00 N ATOM 105 CA HIS A 10 -19.086 -1.606 -14.903 1.00 0.00 C ATOM 106 C HIS A 10 -18.698 -2.474 -13.710 1.00 0.00 C ATOM 107 O HIS A 10 -19.447 -2.582 -12.739 1.00 0.00 O ATOM 108 CB HIS A 10 -19.836 -0.363 -14.421 1.00 0.00 C ATOM 109 CG HIS A 10 -18.959 0.637 -13.734 1.00 0.00 C ATOM 110 ND1 HIS A 10 -19.434 1.549 -12.816 1.00 0.00 N ATOM 111 CD2 HIS A 10 -17.629 0.864 -13.834 1.00 0.00 C ATOM 112 CE1 HIS A 10 -18.434 2.296 -12.382 1.00 0.00 C ATOM 113 NE2 HIS A 10 -17.327 1.900 -12.984 1.00 0.00 N ATOM 0 H HIS A 10 -20.755 -2.751 -15.448 1.00 0.00 H new ATOM 0 HA HIS A 10 -18.176 -1.296 -15.416 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -20.318 0.114 -15.274 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -20.628 -0.669 -13.738 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -16.934 0.330 -14.465 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -18.509 3.094 -11.658 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -16.399 2.299 -12.841 1.00 0.00 H new ATOM 121 N SER A 11 -17.524 -3.092 -13.791 1.00 0.00 N ATOM 122 CA SER A 11 -17.039 -3.955 -12.720 1.00 0.00 C ATOM 123 C SER A 11 -15.514 -3.942 -12.661 1.00 0.00 C ATOM 124 O SER A 11 -14.842 -3.911 -13.691 1.00 0.00 O ATOM 125 CB SER A 11 -17.541 -5.386 -12.923 1.00 0.00 C ATOM 126 OG SER A 11 -18.835 -5.555 -12.370 1.00 0.00 O ATOM 0 H SER A 11 -16.891 -3.011 -14.587 1.00 0.00 H new ATOM 0 HA SER A 11 -17.425 -3.573 -11.775 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.564 -5.619 -13.987 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.849 -6.087 -12.457 1.00 0.00 H new ATOM 0 HG SER A 11 -19.301 -4.693 -12.359 1.00 0.00 H new ATOM 132 N GLY A 12 -14.975 -3.966 -11.446 1.00 0.00 N ATOM 133 CA GLY A 12 -13.534 -3.957 -11.274 1.00 0.00 C ATOM 134 C GLY A 12 -13.103 -4.583 -9.963 1.00 0.00 C ATOM 135 O GLY A 12 -13.734 -4.369 -8.928 1.00 0.00 O ATOM 0 H GLY A 12 -15.510 -3.992 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.069 -4.495 -12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.172 -2.930 -11.319 1.00 0.00 H new ATOM 139 N GLU A 13 -12.026 -5.361 -10.006 1.00 0.00 N ATOM 140 CA GLU A 13 -11.513 -6.023 -8.811 1.00 0.00 C ATOM 141 C GLU A 13 -10.174 -5.424 -8.390 1.00 0.00 C ATOM 142 O GLU A 13 -9.235 -5.354 -9.184 1.00 0.00 O ATOM 143 CB GLU A 13 -11.358 -7.524 -9.060 1.00 0.00 C ATOM 144 CG GLU A 13 -10.319 -7.862 -10.116 1.00 0.00 C ATOM 145 CD GLU A 13 -10.177 -9.355 -10.339 1.00 0.00 C ATOM 146 OE1 GLU A 13 -11.213 -10.031 -10.510 1.00 0.00 O ATOM 147 OE2 GLU A 13 -9.029 -9.848 -10.341 1.00 0.00 O ATOM 0 H GLU A 13 -11.492 -5.549 -10.854 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.230 -5.868 -8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.085 -8.013 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.321 -7.934 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.593 -7.383 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.355 -7.450 -9.817 1.00 0.00 H new ATOM 154 N LYS A 14 -10.094 -4.993 -7.136 1.00 0.00 N ATOM 155 CA LYS A 14 -8.871 -4.401 -6.607 1.00 0.00 C ATOM 156 C LYS A 14 -8.773 -4.612 -5.099 1.00 0.00 C ATOM 157 O LYS A 14 -9.466 -3.969 -4.312 1.00 0.00 O ATOM 158 CB LYS A 14 -8.824 -2.905 -6.927 1.00 0.00 C ATOM 159 CG LYS A 14 -8.895 -2.599 -8.413 1.00 0.00 C ATOM 160 CD LYS A 14 -9.085 -1.113 -8.668 1.00 0.00 C ATOM 161 CE LYS A 14 -8.589 -0.717 -10.050 1.00 0.00 C ATOM 162 NZ LYS A 14 -9.538 -1.134 -11.120 1.00 0.00 N ATOM 0 H LYS A 14 -10.862 -5.043 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.023 -4.895 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.652 -2.408 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.904 -2.484 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.981 -2.939 -8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.719 -3.154 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.141 -0.858 -8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.549 -0.541 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.448 0.363 -10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.615 -1.172 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.164 -0.846 -12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.653 -2.167 -11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.460 -0.680 -10.962 1.00 0.00 H new ATOM 176 N PRO A 15 -7.890 -5.533 -4.686 1.00 0.00 N ATOM 177 CA PRO A 15 -7.678 -5.849 -3.270 1.00 0.00 C ATOM 178 C PRO A 15 -6.992 -4.712 -2.520 1.00 0.00 C ATOM 179 O PRO A 15 -6.696 -4.831 -1.330 1.00 0.00 O ATOM 180 CB PRO A 15 -6.775 -7.084 -3.313 1.00 0.00 C ATOM 181 CG PRO A 15 -6.063 -6.988 -4.618 1.00 0.00 C ATOM 182 CD PRO A 15 -7.029 -6.338 -5.570 1.00 0.00 C ATOM 0 HA PRO A 15 -8.618 -6.011 -2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.073 -7.091 -2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.358 -8.003 -3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.152 -6.397 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.768 -7.975 -4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.514 -5.717 -6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.604 -7.078 -6.126 1.00 0.00 H new ATOM 190 N TYR A 16 -6.742 -3.612 -3.221 1.00 0.00 N ATOM 191 CA TYR A 16 -6.089 -2.455 -2.621 1.00 0.00 C ATOM 192 C TYR A 16 -6.836 -1.170 -2.963 1.00 0.00 C ATOM 193 O TYR A 16 -7.546 -1.101 -3.965 1.00 0.00 O ATOM 194 CB TYR A 16 -4.639 -2.358 -3.097 1.00 0.00 C ATOM 195 CG TYR A 16 -3.730 -3.403 -2.490 1.00 0.00 C ATOM 196 CD1 TYR A 16 -3.198 -3.234 -1.217 1.00 0.00 C ATOM 197 CD2 TYR A 16 -3.404 -4.559 -3.188 1.00 0.00 C ATOM 198 CE1 TYR A 16 -2.368 -4.186 -0.658 1.00 0.00 C ATOM 199 CE2 TYR A 16 -2.575 -5.517 -2.637 1.00 0.00 C ATOM 200 CZ TYR A 16 -2.059 -5.326 -1.372 1.00 0.00 C ATOM 201 OH TYR A 16 -1.232 -6.277 -0.820 1.00 0.00 O ATOM 0 H TYR A 16 -6.982 -3.497 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.101 -2.583 -1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.615 -2.454 -4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.252 -1.368 -2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.438 -2.343 -0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.806 -4.711 -4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.963 -4.039 0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.332 -6.410 -3.193 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.117 -7.017 -1.452 1.00 0.00 H new ATOM 211 N GLU A 17 -6.667 -0.153 -2.123 1.00 0.00 N ATOM 212 CA GLU A 17 -7.325 1.130 -2.336 1.00 0.00 C ATOM 213 C GLU A 17 -6.706 2.212 -1.456 1.00 0.00 C ATOM 214 O GLU A 17 -6.385 1.972 -0.291 1.00 0.00 O ATOM 215 CB GLU A 17 -8.823 1.016 -2.044 1.00 0.00 C ATOM 216 CG GLU A 17 -9.582 2.318 -2.237 1.00 0.00 C ATOM 217 CD GLU A 17 -10.890 2.349 -1.471 1.00 0.00 C ATOM 218 OE1 GLU A 17 -10.858 2.182 -0.234 1.00 0.00 O ATOM 219 OE2 GLU A 17 -11.946 2.541 -2.109 1.00 0.00 O ATOM 0 H GLU A 17 -6.080 -0.193 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.186 1.411 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.254 0.254 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.960 0.674 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.956 3.150 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.783 2.463 -3.298 1.00 0.00 H new ATOM 226 N CYS A 18 -6.540 3.403 -2.020 1.00 0.00 N ATOM 227 CA CYS A 18 -5.959 4.523 -1.289 1.00 0.00 C ATOM 228 C CYS A 18 -6.932 5.051 -0.239 1.00 0.00 C ATOM 229 O CYS A 18 -8.061 5.427 -0.557 1.00 0.00 O ATOM 230 CB CYS A 18 -5.575 5.645 -2.255 1.00 0.00 C ATOM 231 SG CYS A 18 -4.618 6.992 -1.487 1.00 0.00 S ATOM 0 H CYS A 18 -6.800 3.618 -2.983 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.063 4.167 -0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.994 5.222 -3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.483 6.061 -2.691 1.00 0.00 H new ATOM 236 N TYR A 19 -6.487 5.077 1.012 1.00 0.00 N ATOM 237 CA TYR A 19 -7.318 5.557 2.109 1.00 0.00 C ATOM 238 C TYR A 19 -7.290 7.080 2.188 1.00 0.00 C ATOM 239 O TYR A 19 -7.671 7.668 3.201 1.00 0.00 O ATOM 240 CB TYR A 19 -6.845 4.958 3.435 1.00 0.00 C ATOM 241 CG TYR A 19 -5.343 4.969 3.603 1.00 0.00 C ATOM 242 CD1 TYR A 19 -4.659 6.156 3.837 1.00 0.00 C ATOM 243 CD2 TYR A 19 -4.607 3.793 3.528 1.00 0.00 C ATOM 244 CE1 TYR A 19 -3.286 6.171 3.990 1.00 0.00 C ATOM 245 CE2 TYR A 19 -3.234 3.798 3.682 1.00 0.00 C ATOM 246 CZ TYR A 19 -2.578 4.989 3.912 1.00 0.00 C ATOM 247 OH TYR A 19 -1.211 5.000 4.066 1.00 0.00 O ATOM 0 H TYR A 19 -5.555 4.771 1.292 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.343 5.240 1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.298 5.513 4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.203 3.931 3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.210 7.083 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.117 2.859 3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.770 7.102 4.170 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.678 2.874 3.623 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.865 4.087 3.984 1.00 0.00 H new ATOM 257 N ILE A 20 -6.836 7.714 1.111 1.00 0.00 N ATOM 258 CA ILE A 20 -6.760 9.168 1.057 1.00 0.00 C ATOM 259 C ILE A 20 -7.760 9.734 0.054 1.00 0.00 C ATOM 260 O ILE A 20 -8.514 10.656 0.366 1.00 0.00 O ATOM 261 CB ILE A 20 -5.345 9.644 0.678 1.00 0.00 C ATOM 262 CG1 ILE A 20 -4.325 9.151 1.707 1.00 0.00 C ATOM 263 CG2 ILE A 20 -5.307 11.161 0.571 1.00 0.00 C ATOM 264 CD1 ILE A 20 -2.889 9.403 1.303 1.00 0.00 C ATOM 0 H ILE A 20 -6.516 7.243 0.265 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.003 9.534 2.055 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.085 9.225 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.517 9.642 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.467 8.082 1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.300 11.482 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.009 11.489 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.584 11.600 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.222 9.028 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.679 8.889 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.730 10.474 1.174 1.00 0.00 H new ATOM 276 N CYS A 21 -7.762 9.174 -1.151 1.00 0.00 N ATOM 277 CA CYS A 21 -8.669 9.621 -2.201 1.00 0.00 C ATOM 278 C CYS A 21 -9.626 8.503 -2.605 1.00 0.00 C ATOM 279 O CYS A 21 -10.455 8.674 -3.499 1.00 0.00 O ATOM 280 CB CYS A 21 -7.878 10.095 -3.421 1.00 0.00 C ATOM 281 SG CYS A 21 -6.911 8.784 -4.236 1.00 0.00 S ATOM 0 H CYS A 21 -7.145 8.409 -1.425 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.254 10.454 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.570 10.524 -4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.202 10.893 -3.115 1.00 0.00 H new ATOM 286 N HIS A 22 -9.506 7.359 -1.939 1.00 0.00 N ATOM 287 CA HIS A 22 -10.360 6.213 -2.227 1.00 0.00 C ATOM 288 C HIS A 22 -10.077 5.661 -3.621 1.00 0.00 C ATOM 289 O HIS A 22 -10.968 5.126 -4.280 1.00 0.00 O ATOM 290 CB HIS A 22 -11.833 6.606 -2.112 1.00 0.00 C ATOM 291 CG HIS A 22 -12.185 7.231 -0.797 1.00 0.00 C ATOM 292 ND1 HIS A 22 -12.906 6.576 0.179 1.00 0.00 N ATOM 293 CD2 HIS A 22 -11.910 8.459 -0.298 1.00 0.00 C ATOM 294 CE1 HIS A 22 -13.060 7.374 1.221 1.00 0.00 C ATOM 295 NE2 HIS A 22 -12.464 8.523 0.957 1.00 0.00 N ATOM 0 H HIS A 22 -8.825 7.201 -1.196 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.141 5.435 -1.495 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.078 7.303 -2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.450 5.720 -2.260 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.357 9.243 -0.795 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.584 7.129 2.133 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.422 9.327 1.583 1.00 0.00 H new ATOM 303 N ALA A 23 -8.831 5.796 -4.063 1.00 0.00 N ATOM 304 CA ALA A 23 -8.430 5.310 -5.378 1.00 0.00 C ATOM 305 C ALA A 23 -8.085 3.825 -5.332 1.00 0.00 C ATOM 306 O ALA A 23 -7.028 3.439 -4.833 1.00 0.00 O ATOM 307 CB ALA A 23 -7.248 6.113 -5.899 1.00 0.00 C ATOM 0 H ALA A 23 -8.082 6.238 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.271 5.440 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.959 5.739 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.528 7.163 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.408 6.012 -5.211 1.00 0.00 H new ATOM 313 N ARG A 24 -8.984 2.997 -5.855 1.00 0.00 N ATOM 314 CA ARG A 24 -8.774 1.554 -5.872 1.00 0.00 C ATOM 315 C ARG A 24 -7.549 1.192 -6.706 1.00 0.00 C ATOM 316 O ARG A 24 -7.163 1.930 -7.614 1.00 0.00 O ATOM 317 CB ARG A 24 -10.011 0.845 -6.427 1.00 0.00 C ATOM 318 CG ARG A 24 -11.285 1.149 -5.657 1.00 0.00 C ATOM 319 CD ARG A 24 -11.536 0.120 -4.567 1.00 0.00 C ATOM 320 NE ARG A 24 -12.957 -0.011 -4.254 1.00 0.00 N ATOM 321 CZ ARG A 24 -13.814 -0.695 -5.004 1.00 0.00 C ATOM 322 NH1 ARG A 24 -13.397 -1.307 -6.103 1.00 0.00 N ATOM 323 NH2 ARG A 24 -15.092 -0.768 -4.653 1.00 0.00 N ATOM 0 H ARG A 24 -9.864 3.300 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.603 1.224 -4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.148 1.135 -7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.838 -0.231 -6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.215 2.142 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.131 1.167 -6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.144 -0.846 -4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.991 0.405 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.310 0.448 -3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.415 -1.254 -6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.058 -1.831 -6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.416 -0.299 -3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.750 -1.293 -5.229 1.00 0.00 H new ATOM 337 N PHE A 25 -6.941 0.053 -6.392 1.00 0.00 N ATOM 338 CA PHE A 25 -5.759 -0.406 -7.111 1.00 0.00 C ATOM 339 C PHE A 25 -5.672 -1.930 -7.098 1.00 0.00 C ATOM 340 O PHE A 25 -5.754 -2.559 -6.042 1.00 0.00 O ATOM 341 CB PHE A 25 -4.495 0.194 -6.493 1.00 0.00 C ATOM 342 CG PHE A 25 -4.403 1.685 -6.645 1.00 0.00 C ATOM 343 CD1 PHE A 25 -3.952 2.248 -7.829 1.00 0.00 C ATOM 344 CD2 PHE A 25 -4.768 2.525 -5.605 1.00 0.00 C ATOM 345 CE1 PHE A 25 -3.866 3.620 -7.971 1.00 0.00 C ATOM 346 CE2 PHE A 25 -4.684 3.898 -5.742 1.00 0.00 C ATOM 347 CZ PHE A 25 -4.233 4.446 -6.927 1.00 0.00 C ATOM 0 H PHE A 25 -7.248 -0.569 -5.644 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.842 -0.073 -8.146 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.464 -0.058 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.621 -0.265 -6.955 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.665 1.607 -8.650 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.122 2.102 -4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.512 4.046 -8.898 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.971 4.542 -4.923 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.168 5.518 -7.037 1.00 0.00 H new ATOM 357 N THR A 26 -5.505 -2.518 -8.278 1.00 0.00 N ATOM 358 CA THR A 26 -5.408 -3.966 -8.404 1.00 0.00 C ATOM 359 C THR A 26 -4.079 -4.478 -7.860 1.00 0.00 C ATOM 360 O THR A 26 -3.928 -5.667 -7.582 1.00 0.00 O ATOM 361 CB THR A 26 -5.556 -4.415 -9.870 1.00 0.00 C ATOM 362 OG1 THR A 26 -5.417 -5.837 -9.964 1.00 0.00 O ATOM 363 CG2 THR A 26 -4.515 -3.739 -10.750 1.00 0.00 C ATOM 0 H THR A 26 -5.434 -2.013 -9.161 1.00 0.00 H new ATOM 0 HA THR A 26 -6.225 -4.388 -7.818 1.00 0.00 H new ATOM 0 HB THR A 26 -6.547 -4.124 -10.218 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.030 -6.184 -9.133 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.639 -4.071 -11.781 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.643 -2.658 -10.699 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.517 -4.003 -10.401 1.00 0.00 H new ATOM 371 N GLN A 27 -3.118 -3.572 -7.710 1.00 0.00 N ATOM 372 CA GLN A 27 -1.801 -3.933 -7.198 1.00 0.00 C ATOM 373 C GLN A 27 -1.415 -3.050 -6.016 1.00 0.00 C ATOM 374 O GLN A 27 -1.942 -1.949 -5.853 1.00 0.00 O ATOM 375 CB GLN A 27 -0.751 -3.812 -8.304 1.00 0.00 C ATOM 376 CG GLN A 27 -0.998 -4.741 -9.482 1.00 0.00 C ATOM 377 CD GLN A 27 0.190 -4.824 -10.420 1.00 0.00 C ATOM 378 OE1 GLN A 27 1.267 -4.305 -10.123 1.00 0.00 O ATOM 379 NE2 GLN A 27 0.001 -5.478 -11.559 1.00 0.00 N ATOM 0 H GLN A 27 -3.227 -2.583 -7.936 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.843 -4.967 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.730 -2.783 -8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.232 -4.024 -7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.233 -5.738 -9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.870 -4.394 -10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.908 -5.893 -11.764 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.765 -5.566 -12.229 1.00 0.00 H new ATOM 388 N SER A 28 -0.493 -3.540 -5.194 1.00 0.00 N ATOM 389 CA SER A 28 -0.040 -2.797 -4.024 1.00 0.00 C ATOM 390 C SER A 28 1.019 -1.769 -4.410 1.00 0.00 C ATOM 391 O SER A 28 0.937 -0.602 -4.027 1.00 0.00 O ATOM 392 CB SER A 28 0.524 -3.755 -2.972 1.00 0.00 C ATOM 393 OG SER A 28 1.670 -4.430 -3.459 1.00 0.00 O ATOM 0 H SER A 28 -0.045 -4.448 -5.316 1.00 0.00 H new ATOM 0 HA SER A 28 -0.897 -2.271 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.781 -3.199 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.238 -4.482 -2.692 1.00 0.00 H new ATOM 0 HG SER A 28 2.012 -5.034 -2.768 1.00 0.00 H new ATOM 399 N GLY A 29 2.015 -2.211 -5.173 1.00 0.00 N ATOM 400 CA GLY A 29 3.076 -1.317 -5.599 1.00 0.00 C ATOM 401 C GLY A 29 2.545 -0.052 -6.244 1.00 0.00 C ATOM 402 O GLY A 29 3.035 1.045 -5.974 1.00 0.00 O ATOM 0 H GLY A 29 2.106 -3.172 -5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.691 -1.052 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.723 -1.837 -6.305 1.00 0.00 H new ATOM 406 N THR A 30 1.540 -0.204 -7.101 1.00 0.00 N ATOM 407 CA THR A 30 0.944 0.934 -7.789 1.00 0.00 C ATOM 408 C THR A 30 0.274 1.884 -6.803 1.00 0.00 C ATOM 409 O THR A 30 0.431 3.101 -6.894 1.00 0.00 O ATOM 410 CB THR A 30 -0.094 0.480 -8.832 1.00 0.00 C ATOM 411 OG1 THR A 30 0.531 -0.356 -9.813 1.00 0.00 O ATOM 412 CG2 THR A 30 -0.736 1.678 -9.514 1.00 0.00 C ATOM 0 H THR A 30 1.122 -1.104 -7.335 1.00 0.00 H new ATOM 0 HA THR A 30 1.755 1.455 -8.297 1.00 0.00 H new ATOM 0 HB THR A 30 -0.872 -0.084 -8.317 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.136 -0.642 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.465 1.332 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.236 2.297 -8.768 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.032 2.265 -10.017 1.00 0.00 H new ATOM 420 N MET A 31 -0.472 1.319 -5.859 1.00 0.00 N ATOM 421 CA MET A 31 -1.165 2.117 -4.854 1.00 0.00 C ATOM 422 C MET A 31 -0.169 2.822 -3.938 1.00 0.00 C ATOM 423 O MET A 31 -0.200 4.044 -3.793 1.00 0.00 O ATOM 424 CB MET A 31 -2.100 1.233 -4.026 1.00 0.00 C ATOM 425 CG MET A 31 -2.866 1.994 -2.956 1.00 0.00 C ATOM 426 SD MET A 31 -3.628 0.903 -1.739 1.00 0.00 S ATOM 427 CE MET A 31 -2.180 0.126 -1.027 1.00 0.00 C ATOM 0 H MET A 31 -0.612 0.313 -5.769 1.00 0.00 H new ATOM 0 HA MET A 31 -1.755 2.874 -5.371 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.811 0.746 -4.693 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.516 0.444 -3.552 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.188 2.681 -2.449 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.639 2.600 -3.429 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.424 -0.259 -0.037 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.856 -0.695 -1.667 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.378 0.859 -0.944 1.00 0.00 H new ATOM 437 N LYS A 32 0.714 2.043 -3.322 1.00 0.00 N ATOM 438 CA LYS A 32 1.720 2.592 -2.421 1.00 0.00 C ATOM 439 C LYS A 32 2.412 3.799 -3.047 1.00 0.00 C ATOM 440 O LYS A 32 2.589 4.830 -2.399 1.00 0.00 O ATOM 441 CB LYS A 32 2.758 1.523 -2.069 1.00 0.00 C ATOM 442 CG LYS A 32 2.185 0.354 -1.287 1.00 0.00 C ATOM 443 CD LYS A 32 3.282 -0.488 -0.658 1.00 0.00 C ATOM 444 CE LYS A 32 2.716 -1.487 0.339 1.00 0.00 C ATOM 445 NZ LYS A 32 2.339 -2.771 -0.316 1.00 0.00 N ATOM 0 H LYS A 32 0.753 1.030 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 32 1.216 2.916 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.208 1.149 -2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.557 1.982 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.520 0.727 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.583 -0.268 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.826 -1.020 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.999 0.162 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.453 -1.680 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.841 -1.057 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.327 -2.955 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.529 -2.709 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.897 -3.547 0.094 1.00 0.00 H new ATOM 459 N MET A 33 2.798 3.664 -4.311 1.00 0.00 N ATOM 460 CA MET A 33 3.467 4.745 -5.026 1.00 0.00 C ATOM 461 C MET A 33 2.535 5.939 -5.201 1.00 0.00 C ATOM 462 O MET A 33 2.953 7.090 -5.070 1.00 0.00 O ATOM 463 CB MET A 33 3.954 4.258 -6.392 1.00 0.00 C ATOM 464 CG MET A 33 5.372 3.712 -6.373 1.00 0.00 C ATOM 465 SD MET A 33 5.834 2.924 -7.927 1.00 0.00 S ATOM 466 CE MET A 33 6.109 1.239 -7.383 1.00 0.00 C ATOM 0 H MET A 33 2.659 2.817 -4.862 1.00 0.00 H new ATOM 0 HA MET A 33 4.326 5.061 -4.434 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.279 3.482 -6.753 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.901 5.083 -7.103 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.067 4.524 -6.161 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.468 2.991 -5.562 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.894 0.553 -8.202 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.148 1.121 -7.074 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.453 1.017 -6.542 1.00 0.00 H new ATOM 476 N HIS A 34 1.270 5.659 -5.498 1.00 0.00 N ATOM 477 CA HIS A 34 0.278 6.711 -5.691 1.00 0.00 C ATOM 478 C HIS A 34 0.119 7.547 -4.424 1.00 0.00 C ATOM 479 O HIS A 34 -0.082 8.759 -4.491 1.00 0.00 O ATOM 480 CB HIS A 34 -1.068 6.105 -6.088 1.00 0.00 C ATOM 481 CG HIS A 34 -2.222 7.045 -5.918 1.00 0.00 C ATOM 482 ND1 HIS A 34 -2.690 7.853 -6.932 1.00 0.00 N ATOM 483 CD2 HIS A 34 -3.003 7.302 -4.843 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.709 8.568 -6.488 1.00 0.00 C ATOM 485 NE2 HIS A 34 -3.919 8.252 -5.223 1.00 0.00 N ATOM 0 H HIS A 34 0.908 4.712 -5.610 1.00 0.00 H new ATOM 0 HA HIS A 34 0.626 7.362 -6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.020 5.786 -7.129 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.246 5.212 -5.489 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.309 7.893 -7.877 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.921 6.845 -3.868 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.274 9.288 -7.062 1.00 0.00 H new ATOM 493 N ILE A 35 0.211 6.890 -3.273 1.00 0.00 N ATOM 494 CA ILE A 35 0.077 7.573 -1.992 1.00 0.00 C ATOM 495 C ILE A 35 1.288 8.457 -1.711 1.00 0.00 C ATOM 496 O ILE A 35 1.164 9.527 -1.114 1.00 0.00 O ATOM 497 CB ILE A 35 -0.092 6.571 -0.834 1.00 0.00 C ATOM 498 CG1 ILE A 35 -1.263 5.627 -1.115 1.00 0.00 C ATOM 499 CG2 ILE A 35 -0.303 7.309 0.479 1.00 0.00 C ATOM 500 CD1 ILE A 35 -1.519 4.635 -0.002 1.00 0.00 C ATOM 0 H ILE A 35 0.378 5.886 -3.201 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.816 8.194 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 35 0.818 5.977 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.164 6.218 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.067 5.082 -2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.421 6.587 1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.559 7.944 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.199 7.926 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.362 3.998 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.632 4.019 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.747 5.172 0.919 1.00 0.00 H new ATOM 512 N LEU A 36 2.458 8.004 -2.148 1.00 0.00 N ATOM 513 CA LEU A 36 3.692 8.754 -1.947 1.00 0.00 C ATOM 514 C LEU A 36 3.957 9.694 -3.119 1.00 0.00 C ATOM 515 O LEU A 36 4.824 10.563 -3.046 1.00 0.00 O ATOM 516 CB LEU A 36 4.872 7.796 -1.770 1.00 0.00 C ATOM 517 CG LEU A 36 5.478 7.234 -3.057 1.00 0.00 C ATOM 518 CD1 LEU A 36 6.643 8.095 -3.519 1.00 0.00 C ATOM 519 CD2 LEU A 36 5.926 5.794 -2.850 1.00 0.00 C ATOM 0 H LEU A 36 2.578 7.121 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 36 3.579 9.353 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.656 8.315 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.546 6.961 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 36 4.713 7.248 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.061 7.680 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.293 9.110 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.411 8.113 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.355 5.410 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.676 5.756 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.069 5.183 -2.566 1.00 0.00 H new ATOM 531 N GLN A 37 3.201 9.512 -4.198 1.00 0.00 N ATOM 532 CA GLN A 37 3.353 10.345 -5.385 1.00 0.00 C ATOM 533 C GLN A 37 2.332 11.478 -5.389 1.00 0.00 C ATOM 534 O GLN A 37 2.631 12.596 -5.811 1.00 0.00 O ATOM 535 CB GLN A 37 3.200 9.499 -6.650 1.00 0.00 C ATOM 536 CG GLN A 37 4.448 8.709 -7.009 1.00 0.00 C ATOM 537 CD GLN A 37 4.617 8.532 -8.505 1.00 0.00 C ATOM 538 OE1 GLN A 37 4.684 7.409 -9.005 1.00 0.00 O ATOM 539 NE2 GLN A 37 4.687 9.643 -9.228 1.00 0.00 N ATOM 0 H GLN A 37 2.478 8.796 -4.274 1.00 0.00 H new ATOM 0 HA GLN A 37 4.352 10.781 -5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.368 8.807 -6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.941 10.151 -7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.324 9.218 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.402 7.729 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.627 10.553 -8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.801 9.587 -10.240 1.00 0.00 H new ATOM 548 N LYS A 38 1.126 11.182 -4.918 1.00 0.00 N ATOM 549 CA LYS A 38 0.060 12.176 -4.867 1.00 0.00 C ATOM 550 C LYS A 38 -0.075 12.757 -3.463 1.00 0.00 C ATOM 551 O LYS A 38 -0.368 13.942 -3.296 1.00 0.00 O ATOM 552 CB LYS A 38 -1.268 11.551 -5.301 1.00 0.00 C ATOM 553 CG LYS A 38 -1.251 11.010 -6.720 1.00 0.00 C ATOM 554 CD LYS A 38 -1.174 12.131 -7.743 1.00 0.00 C ATOM 555 CE LYS A 38 -0.441 11.689 -9.000 1.00 0.00 C ATOM 556 NZ LYS A 38 -0.709 12.599 -10.148 1.00 0.00 N ATOM 0 H LYS A 38 0.862 10.262 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 38 0.317 12.984 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.520 10.742 -4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.057 12.298 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.399 10.342 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.149 10.417 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.181 12.457 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.664 12.989 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.631 11.658 -8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.746 10.676 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.191 12.263 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.729 12.609 -10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.394 13.561 -9.909 1.00 0.00 H new ATOM 570 N HIS A 39 0.143 11.918 -2.456 1.00 0.00 N ATOM 571 CA HIS A 39 0.049 12.350 -1.066 1.00 0.00 C ATOM 572 C HIS A 39 1.405 12.256 -0.374 1.00 0.00 C ATOM 573 O HIS A 39 1.510 11.752 0.745 1.00 0.00 O ATOM 574 CB HIS A 39 -0.980 11.503 -0.315 1.00 0.00 C ATOM 575 CG HIS A 39 -2.271 11.334 -1.055 1.00 0.00 C ATOM 576 ND1 HIS A 39 -3.138 12.377 -1.303 1.00 0.00 N ATOM 577 CD2 HIS A 39 -2.841 10.235 -1.603 1.00 0.00 C ATOM 578 CE1 HIS A 39 -4.186 11.927 -1.970 1.00 0.00 C ATOM 579 NE2 HIS A 39 -4.030 10.630 -2.165 1.00 0.00 N ATOM 0 H HIS A 39 0.386 10.935 -2.576 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.272 13.392 -1.056 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.553 10.520 -0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.182 11.964 0.652 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -2.993 13.345 -1.016 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.436 9.234 -1.599 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.027 12.519 -2.300 1.00 0.00 H new ATOM 587 N THR A 40 2.443 12.743 -1.048 1.00 0.00 N ATOM 588 CA THR A 40 3.793 12.712 -0.499 1.00 0.00 C ATOM 589 C THR A 40 3.869 13.479 0.817 1.00 0.00 C ATOM 590 O THR A 40 4.545 13.055 1.753 1.00 0.00 O ATOM 591 CB THR A 40 4.814 13.307 -1.487 1.00 0.00 C ATOM 592 OG1 THR A 40 6.047 13.579 -0.812 1.00 0.00 O ATOM 593 CG2 THR A 40 4.280 14.587 -2.112 1.00 0.00 C ATOM 0 H THR A 40 2.374 13.163 -1.975 1.00 0.00 H new ATOM 0 HA THR A 40 4.038 11.665 -0.321 1.00 0.00 H new ATOM 0 HB THR A 40 4.986 12.579 -2.279 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.691 13.956 -1.447 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.018 14.989 -2.806 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.356 14.372 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.082 15.319 -1.329 1.00 0.00 H new ATOM 601 N GLU A 41 3.171 14.608 0.880 1.00 0.00 N ATOM 602 CA GLU A 41 3.161 15.433 2.082 1.00 0.00 C ATOM 603 C GLU A 41 1.973 15.082 2.973 1.00 0.00 C ATOM 604 O GLU A 41 2.048 15.188 4.196 1.00 0.00 O ATOM 605 CB GLU A 41 3.112 16.916 1.709 1.00 0.00 C ATOM 606 CG GLU A 41 1.787 17.349 1.104 1.00 0.00 C ATOM 607 CD GLU A 41 1.721 18.842 0.852 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.534 19.344 0.047 1.00 0.00 O ATOM 609 OE2 GLU A 41 0.857 19.509 1.459 1.00 0.00 O ATOM 0 H GLU A 41 2.605 14.972 0.113 1.00 0.00 H new ATOM 0 HA GLU A 41 4.079 15.235 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.307 17.513 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.912 17.130 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.630 16.819 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.975 17.061 1.772 1.00 0.00 H new ATOM 616 N ASN A 42 0.876 14.664 2.349 1.00 0.00 N ATOM 617 CA ASN A 42 -0.329 14.298 3.084 1.00 0.00 C ATOM 618 C ASN A 42 -0.189 12.910 3.703 1.00 0.00 C ATOM 619 O ASN A 42 -1.025 12.034 3.485 1.00 0.00 O ATOM 620 CB ASN A 42 -1.547 14.335 2.159 1.00 0.00 C ATOM 621 CG ASN A 42 -2.141 15.726 2.041 1.00 0.00 C ATOM 622 OD1 ASN A 42 -1.837 16.465 1.105 1.00 0.00 O ATOM 623 ND2 ASN A 42 -2.993 16.088 2.994 1.00 0.00 N ATOM 0 H ASN A 42 0.797 14.570 1.336 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.468 15.022 3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.259 13.981 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.306 13.649 2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.425 17.012 2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.216 15.442 3.751 1.00 0.00 H new ATOM 630 N VAL A 43 0.875 12.718 4.477 1.00 0.00 N ATOM 631 CA VAL A 43 1.125 11.438 5.129 1.00 0.00 C ATOM 632 C VAL A 43 2.268 11.546 6.132 1.00 0.00 C ATOM 633 O VAL A 43 3.220 12.298 5.924 1.00 0.00 O ATOM 634 CB VAL A 43 1.460 10.340 4.101 1.00 0.00 C ATOM 635 CG1 VAL A 43 2.641 10.759 3.239 1.00 0.00 C ATOM 636 CG2 VAL A 43 1.742 9.022 4.804 1.00 0.00 C ATOM 0 H VAL A 43 1.577 13.433 4.668 1.00 0.00 H new ATOM 0 HA VAL A 43 0.209 11.166 5.654 1.00 0.00 H new ATOM 0 HB VAL A 43 0.598 10.200 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.863 9.972 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.395 11.678 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.512 10.928 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.977 8.258 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.588 9.144 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.864 8.718 5.373 1.00 0.00 H new ATOM 646 N ALA A 44 2.167 10.789 7.219 1.00 0.00 N ATOM 647 CA ALA A 44 3.194 10.797 8.254 1.00 0.00 C ATOM 648 C ALA A 44 4.235 9.712 8.003 1.00 0.00 C ATOM 649 O ALA A 44 5.390 10.004 7.695 1.00 0.00 O ATOM 650 CB ALA A 44 2.562 10.619 9.626 1.00 0.00 C ATOM 0 H ALA A 44 1.384 10.162 7.406 1.00 0.00 H new ATOM 0 HA ALA A 44 3.700 11.762 8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.340 10.627 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.862 11.434 9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.030 9.669 9.661 1.00 0.00 H new ATOM 656 N LYS A 45 3.818 8.457 8.138 1.00 0.00 N ATOM 657 CA LYS A 45 4.714 7.326 7.926 1.00 0.00 C ATOM 658 C LYS A 45 4.858 7.018 6.439 1.00 0.00 C ATOM 659 O LYS A 45 3.869 6.959 5.708 1.00 0.00 O ATOM 660 CB LYS A 45 4.193 6.091 8.666 1.00 0.00 C ATOM 661 CG LYS A 45 4.346 6.177 10.174 1.00 0.00 C ATOM 662 CD LYS A 45 3.433 5.192 10.884 1.00 0.00 C ATOM 663 CE LYS A 45 3.784 5.069 12.359 1.00 0.00 C ATOM 664 NZ LYS A 45 4.862 4.068 12.591 1.00 0.00 N ATOM 0 H LYS A 45 2.865 8.198 8.393 1.00 0.00 H new ATOM 0 HA LYS A 45 5.695 7.592 8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.140 5.950 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.724 5.210 8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.382 5.977 10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.119 7.190 10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.397 5.516 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.510 4.215 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.102 6.040 12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.895 4.782 12.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.072 4.014 13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.549 3.136 12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.719 4.354 12.075 1.00 0.00 H new ATOM 678 N PHE A 46 6.096 6.820 5.998 1.00 0.00 N ATOM 679 CA PHE A 46 6.369 6.517 4.598 1.00 0.00 C ATOM 680 C PHE A 46 6.602 5.022 4.400 1.00 0.00 C ATOM 681 O PHE A 46 7.679 4.505 4.697 1.00 0.00 O ATOM 682 CB PHE A 46 7.589 7.303 4.112 1.00 0.00 C ATOM 683 CG PHE A 46 7.325 8.771 3.938 1.00 0.00 C ATOM 684 CD1 PHE A 46 7.286 9.617 5.035 1.00 0.00 C ATOM 685 CD2 PHE A 46 7.116 9.306 2.677 1.00 0.00 C ATOM 686 CE1 PHE A 46 7.043 10.968 4.877 1.00 0.00 C ATOM 687 CE2 PHE A 46 6.873 10.657 2.513 1.00 0.00 C ATOM 688 CZ PHE A 46 6.837 11.489 3.614 1.00 0.00 C ATOM 0 H PHE A 46 6.926 6.864 6.590 1.00 0.00 H new ATOM 0 HA PHE A 46 5.498 6.812 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.404 7.170 4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.924 6.887 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.447 9.216 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.143 8.660 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.014 11.616 5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.711 11.061 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.648 12.545 3.488 1.00 0.00 H new ATOM 698 N HIS A 47 5.583 4.332 3.897 1.00 0.00 N ATOM 699 CA HIS A 47 5.676 2.896 3.660 1.00 0.00 C ATOM 700 C HIS A 47 6.338 2.609 2.316 1.00 0.00 C ATOM 701 O HIS A 47 5.954 3.171 1.290 1.00 0.00 O ATOM 702 CB HIS A 47 4.286 2.260 3.702 1.00 0.00 C ATOM 703 CG HIS A 47 3.795 1.986 5.090 1.00 0.00 C ATOM 704 ND1 HIS A 47 3.489 0.721 5.545 1.00 0.00 N ATOM 705 CD2 HIS A 47 3.558 2.824 6.127 1.00 0.00 C ATOM 706 CE1 HIS A 47 3.083 0.793 6.800 1.00 0.00 C ATOM 707 NE2 HIS A 47 3.117 2.058 7.178 1.00 0.00 N ATOM 0 H HIS A 47 4.684 4.744 3.646 1.00 0.00 H new ATOM 0 HA HIS A 47 6.291 2.462 4.448 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.579 2.919 3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.306 1.326 3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.691 3.896 6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.775 -0.041 7.413 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.858 2.409 8.100 1.00 0.00 H new ATOM 715 N CYS A 48 7.337 1.732 2.329 1.00 0.00 N ATOM 716 CA CYS A 48 8.054 1.371 1.112 1.00 0.00 C ATOM 717 C CYS A 48 7.097 0.820 0.060 1.00 0.00 C ATOM 718 O CYS A 48 6.228 -0.004 0.346 1.00 0.00 O ATOM 719 CB CYS A 48 9.139 0.338 1.422 1.00 0.00 C ATOM 720 SG CYS A 48 10.158 -0.124 -0.015 1.00 0.00 S ATOM 0 H CYS A 48 7.668 1.258 3.169 1.00 0.00 H new ATOM 0 HA CYS A 48 8.522 2.272 0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.789 0.733 2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.667 -0.559 1.823 1.00 0.00 H new ATOM 725 N PRO A 49 7.259 1.283 -1.189 1.00 0.00 N ATOM 726 CA PRO A 49 6.420 0.849 -2.309 1.00 0.00 C ATOM 727 C PRO A 49 6.687 -0.598 -2.708 1.00 0.00 C ATOM 728 O PRO A 49 5.845 -1.247 -3.330 1.00 0.00 O ATOM 729 CB PRO A 49 6.822 1.798 -3.441 1.00 0.00 C ATOM 730 CG PRO A 49 8.209 2.225 -3.104 1.00 0.00 C ATOM 731 CD PRO A 49 8.275 2.266 -1.602 1.00 0.00 C ATOM 0 HA PRO A 49 5.359 0.884 -2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.786 1.297 -4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.148 2.653 -3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.942 1.526 -3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.431 3.203 -3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.266 1.998 -1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.051 3.261 -1.217 1.00 0.00 H new ATOM 739 N HIS A 50 7.863 -1.100 -2.344 1.00 0.00 N ATOM 740 CA HIS A 50 8.241 -2.472 -2.663 1.00 0.00 C ATOM 741 C HIS A 50 7.867 -3.417 -1.525 1.00 0.00 C ATOM 742 O HIS A 50 6.990 -4.268 -1.674 1.00 0.00 O ATOM 743 CB HIS A 50 9.742 -2.559 -2.941 1.00 0.00 C ATOM 744 CG HIS A 50 10.270 -1.409 -3.742 1.00 0.00 C ATOM 745 ND1 HIS A 50 9.782 -1.072 -4.987 1.00 0.00 N ATOM 746 CD2 HIS A 50 11.249 -0.515 -3.469 1.00 0.00 C ATOM 747 CE1 HIS A 50 10.439 -0.022 -5.446 1.00 0.00 C ATOM 748 NE2 HIS A 50 11.334 0.336 -4.543 1.00 0.00 N ATOM 0 H HIS A 50 8.570 -0.577 -1.828 1.00 0.00 H new ATOM 0 HA HIS A 50 7.696 -2.774 -3.557 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.277 -2.606 -1.992 1.00 0.00 H new ATOM 0 HB3 HIS A 50 9.952 -3.488 -3.472 1.00 0.00 H new ATOM 0 HD1 HIS A 50 9.031 -1.558 -5.477 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.851 -0.478 -2.573 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.273 0.461 -6.397 1.00 0.00 H new ATOM 756 N CYS A 51 8.537 -3.260 -0.388 1.00 0.00 N ATOM 757 CA CYS A 51 8.277 -4.099 0.775 1.00 0.00 C ATOM 758 C CYS A 51 7.490 -3.333 1.834 1.00 0.00 C ATOM 759 O CYS A 51 7.174 -2.156 1.656 1.00 0.00 O ATOM 760 CB CYS A 51 9.593 -4.605 1.370 1.00 0.00 C ATOM 761 SG CYS A 51 10.531 -3.340 2.285 1.00 0.00 S ATOM 0 H CYS A 51 9.264 -2.559 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 51 7.681 -4.952 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.380 -5.439 2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.217 -4.994 0.565 1.00 0.00 H new ATOM 766 N ASP A 52 7.176 -4.007 2.934 1.00 0.00 N ATOM 767 CA ASP A 52 6.427 -3.390 4.022 1.00 0.00 C ATOM 768 C ASP A 52 7.368 -2.879 5.109 1.00 0.00 C ATOM 769 O ASP A 52 7.574 -3.539 6.128 1.00 0.00 O ATOM 770 CB ASP A 52 5.434 -4.390 4.618 1.00 0.00 C ATOM 771 CG ASP A 52 4.149 -4.477 3.818 1.00 0.00 C ATOM 772 OD1 ASP A 52 4.228 -4.673 2.587 1.00 0.00 O ATOM 773 OD2 ASP A 52 3.065 -4.349 4.424 1.00 0.00 O ATOM 0 H ASP A 52 7.429 -4.982 3.096 1.00 0.00 H new ATOM 0 HA ASP A 52 5.876 -2.542 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.898 -5.375 4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.202 -4.100 5.643 1.00 0.00 H new ATOM 778 N THR A 53 7.938 -1.700 4.884 1.00 0.00 N ATOM 779 CA THR A 53 8.859 -1.101 5.842 1.00 0.00 C ATOM 780 C THR A 53 8.525 0.366 6.083 1.00 0.00 C ATOM 781 O THR A 53 8.158 1.090 5.157 1.00 0.00 O ATOM 782 CB THR A 53 10.319 -1.212 5.363 1.00 0.00 C ATOM 783 OG1 THR A 53 10.727 -2.584 5.347 1.00 0.00 O ATOM 784 CG2 THR A 53 11.246 -0.412 6.265 1.00 0.00 C ATOM 0 H THR A 53 7.778 -1.140 4.046 1.00 0.00 H new ATOM 0 HA THR A 53 8.748 -1.654 6.775 1.00 0.00 H new ATOM 0 HB THR A 53 10.379 -0.805 4.354 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.624 -2.945 4.442 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.271 -0.505 5.907 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.951 0.637 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.181 -0.794 7.284 1.00 0.00 H new ATOM 792 N VAL A 54 8.654 0.801 7.333 1.00 0.00 N ATOM 793 CA VAL A 54 8.368 2.184 7.695 1.00 0.00 C ATOM 794 C VAL A 54 9.573 3.081 7.436 1.00 0.00 C ATOM 795 O VAL A 54 10.708 2.715 7.742 1.00 0.00 O ATOM 796 CB VAL A 54 7.962 2.303 9.176 1.00 0.00 C ATOM 797 CG1 VAL A 54 7.740 3.760 9.553 1.00 0.00 C ATOM 798 CG2 VAL A 54 6.716 1.476 9.455 1.00 0.00 C ATOM 0 H VAL A 54 8.955 0.215 8.112 1.00 0.00 H new ATOM 0 HA VAL A 54 7.536 2.509 7.070 1.00 0.00 H new ATOM 0 HB VAL A 54 8.774 1.913 9.790 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.454 3.825 10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.660 4.322 9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.947 4.179 8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.444 1.572 10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.895 1.834 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.915 0.429 9.226 1.00 0.00 H new ATOM 808 N ILE A 55 9.318 4.256 6.872 1.00 0.00 N ATOM 809 CA ILE A 55 10.382 5.206 6.573 1.00 0.00 C ATOM 810 C ILE A 55 10.067 6.583 7.149 1.00 0.00 C ATOM 811 O ILE A 55 8.987 7.129 6.925 1.00 0.00 O ATOM 812 CB ILE A 55 10.610 5.337 5.055 1.00 0.00 C ATOM 813 CG1 ILE A 55 10.886 3.965 4.439 1.00 0.00 C ATOM 814 CG2 ILE A 55 11.761 6.292 4.773 1.00 0.00 C ATOM 815 CD1 ILE A 55 12.256 3.416 4.773 1.00 0.00 C ATOM 0 H ILE A 55 8.384 4.573 6.613 1.00 0.00 H new ATOM 0 HA ILE A 55 11.290 4.819 7.036 1.00 0.00 H new ATOM 0 HB ILE A 55 9.707 5.743 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.128 3.262 4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.786 4.035 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.910 6.374 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.527 7.275 5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.671 5.912 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.382 2.441 4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.021 4.098 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.353 3.313 5.854 1.00 0.00 H new ATOM 827 N ALA A 56 11.020 7.140 7.890 1.00 0.00 N ATOM 828 CA ALA A 56 10.846 8.454 8.495 1.00 0.00 C ATOM 829 C ALA A 56 10.148 9.412 7.536 1.00 0.00 C ATOM 830 O ALA A 56 8.964 9.711 7.695 1.00 0.00 O ATOM 831 CB ALA A 56 12.192 9.020 8.922 1.00 0.00 C ATOM 0 H ALA A 56 11.920 6.701 8.085 1.00 0.00 H new ATOM 0 HA ALA A 56 10.215 8.340 9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.047 10.002 9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.654 8.352 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.841 9.112 8.051 1.00 0.00 H new ATOM 837 N ARG A 57 10.888 9.891 6.542 1.00 0.00 N ATOM 838 CA ARG A 57 10.339 10.817 5.558 1.00 0.00 C ATOM 839 C ARG A 57 10.767 10.427 4.147 1.00 0.00 C ATOM 840 O ARG A 57 11.433 9.411 3.946 1.00 0.00 O ATOM 841 CB ARG A 57 10.792 12.246 5.864 1.00 0.00 C ATOM 842 CG ARG A 57 12.301 12.426 5.838 1.00 0.00 C ATOM 843 CD ARG A 57 12.686 13.896 5.780 1.00 0.00 C ATOM 844 NE ARG A 57 12.370 14.494 4.485 1.00 0.00 N ATOM 845 CZ ARG A 57 12.211 15.799 4.298 1.00 0.00 C ATOM 846 NH1 ARG A 57 12.338 16.638 5.316 1.00 0.00 N ATOM 847 NH2 ARG A 57 11.925 16.267 3.090 1.00 0.00 N ATOM 0 H ARG A 57 11.869 9.654 6.396 1.00 0.00 H new ATOM 0 HA ARG A 57 9.252 10.768 5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.341 12.924 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.417 12.534 6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.738 11.969 6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.716 11.906 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.163 14.439 6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.753 13.999 5.976 1.00 0.00 H new ATOM 0 HE ARG A 57 12.266 13.875 3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.558 16.282 6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.215 17.640 5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.827 15.624 2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.803 17.270 2.947 1.00 0.00 H new ATOM 861 N LYS A 58 10.379 11.241 3.171 1.00 0.00 N ATOM 862 CA LYS A 58 10.723 10.983 1.777 1.00 0.00 C ATOM 863 C LYS A 58 12.230 10.818 1.610 1.00 0.00 C ATOM 864 O LYS A 58 12.716 9.725 1.320 1.00 0.00 O ATOM 865 CB LYS A 58 10.222 12.123 0.888 1.00 0.00 C ATOM 866 CG LYS A 58 9.868 11.684 -0.523 1.00 0.00 C ATOM 867 CD LYS A 58 8.571 10.893 -0.551 1.00 0.00 C ATOM 868 CE LYS A 58 8.233 10.427 -1.959 1.00 0.00 C ATOM 869 NZ LYS A 58 7.886 11.567 -2.852 1.00 0.00 N ATOM 0 H LYS A 58 9.826 12.085 3.319 1.00 0.00 H new ATOM 0 HA LYS A 58 10.238 10.055 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.344 12.574 1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.988 12.897 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.775 12.560 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.676 11.075 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.656 10.029 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.759 11.510 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.082 9.885 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.397 9.729 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.917 11.445 -3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.948 12.457 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.550 11.596 -3.652 1.00 0.00 H new ATOM 883 N SER A 59 12.964 11.910 1.795 1.00 0.00 N ATOM 884 CA SER A 59 14.416 11.887 1.662 1.00 0.00 C ATOM 885 C SER A 59 14.992 10.589 2.220 1.00 0.00 C ATOM 886 O SER A 59 15.854 9.963 1.603 1.00 0.00 O ATOM 887 CB SER A 59 15.035 13.085 2.385 1.00 0.00 C ATOM 888 OG SER A 59 14.924 14.264 1.606 1.00 0.00 O ATOM 0 H SER A 59 12.577 12.822 2.037 1.00 0.00 H new ATOM 0 HA SER A 59 14.660 11.946 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.538 13.231 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.085 12.883 2.597 1.00 0.00 H new ATOM 0 HG SER A 59 15.325 15.015 2.091 1.00 0.00 H new ATOM 894 N ASP A 60 14.508 10.191 3.392 1.00 0.00 N ATOM 895 CA ASP A 60 14.973 8.967 4.035 1.00 0.00 C ATOM 896 C ASP A 60 14.653 7.747 3.176 1.00 0.00 C ATOM 897 O ASP A 60 15.469 6.833 3.048 1.00 0.00 O ATOM 898 CB ASP A 60 14.333 8.816 5.415 1.00 0.00 C ATOM 899 CG ASP A 60 15.160 9.460 6.511 1.00 0.00 C ATOM 900 OD1 ASP A 60 15.583 10.621 6.330 1.00 0.00 O ATOM 901 OD2 ASP A 60 15.384 8.803 7.548 1.00 0.00 O ATOM 0 H ASP A 60 13.794 10.698 3.916 1.00 0.00 H new ATOM 0 HA ASP A 60 16.055 9.035 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.340 9.264 5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.202 7.757 5.638 1.00 0.00 H new ATOM 906 N LEU A 61 13.461 7.738 2.590 1.00 0.00 N ATOM 907 CA LEU A 61 13.032 6.630 1.744 1.00 0.00 C ATOM 908 C LEU A 61 14.143 6.217 0.783 1.00 0.00 C ATOM 909 O LEU A 61 14.628 5.088 0.828 1.00 0.00 O ATOM 910 CB LEU A 61 11.780 7.019 0.957 1.00 0.00 C ATOM 911 CG LEU A 61 11.199 5.939 0.043 1.00 0.00 C ATOM 912 CD1 LEU A 61 10.453 4.894 0.858 1.00 0.00 C ATOM 913 CD2 LEU A 61 10.281 6.560 -1.000 1.00 0.00 C ATOM 0 H LEU A 61 12.774 8.486 2.685 1.00 0.00 H new ATOM 0 HA LEU A 61 12.800 5.782 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.009 7.320 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.014 7.893 0.350 1.00 0.00 H new ATOM 0 HG LEU A 61 12.023 5.446 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.047 4.134 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.138 4.427 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.638 5.371 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.877 5.777 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.462 7.079 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.845 7.269 -1.605 1.00 0.00 H new ATOM 925 N GLY A 62 14.542 7.142 -0.085 1.00 0.00 N ATOM 926 CA GLY A 62 15.594 6.856 -1.042 1.00 0.00 C ATOM 927 C GLY A 62 16.676 5.964 -0.466 1.00 0.00 C ATOM 928 O GLY A 62 16.935 4.877 -0.981 1.00 0.00 O ATOM 0 H GLY A 62 14.155 8.084 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.161 6.376 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.040 7.792 -1.378 1.00 0.00 H new ATOM 932 N VAL A 63 17.312 6.426 0.606 1.00 0.00 N ATOM 933 CA VAL A 63 18.373 5.663 1.253 1.00 0.00 C ATOM 934 C VAL A 63 18.011 4.185 1.342 1.00 0.00 C ATOM 935 O VAL A 63 18.832 3.315 1.049 1.00 0.00 O ATOM 936 CB VAL A 63 18.663 6.195 2.670 1.00 0.00 C ATOM 937 CG1 VAL A 63 19.766 5.383 3.330 1.00 0.00 C ATOM 938 CG2 VAL A 63 19.033 7.670 2.619 1.00 0.00 C ATOM 0 H VAL A 63 17.111 7.325 1.045 1.00 0.00 H new ATOM 0 HA VAL A 63 19.266 5.779 0.639 1.00 0.00 H new ATOM 0 HB VAL A 63 17.759 6.091 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 63 19.957 5.773 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.457 4.340 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 63 20.676 5.453 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 63 19.235 8.030 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 63 19.922 7.801 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.207 8.238 2.190 1.00 0.00 H new ATOM 948 N HIS A 64 16.776 3.907 1.747 1.00 0.00 N ATOM 949 CA HIS A 64 16.305 2.532 1.874 1.00 0.00 C ATOM 950 C HIS A 64 16.101 1.899 0.500 1.00 0.00 C ATOM 951 O HIS A 64 16.438 0.734 0.286 1.00 0.00 O ATOM 952 CB HIS A 64 14.998 2.490 2.666 1.00 0.00 C ATOM 953 CG HIS A 64 14.269 1.187 2.550 1.00 0.00 C ATOM 954 ND1 HIS A 64 14.609 0.067 3.279 1.00 0.00 N ATOM 955 CD2 HIS A 64 13.211 0.829 1.785 1.00 0.00 C ATOM 956 CE1 HIS A 64 13.792 -0.924 2.967 1.00 0.00 C ATOM 957 NE2 HIS A 64 12.935 -0.487 2.062 1.00 0.00 N ATOM 0 H HIS A 64 16.084 4.615 1.993 1.00 0.00 H new ATOM 0 HA HIS A 64 17.064 1.961 2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.213 2.684 3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.347 3.293 2.320 1.00 0.00 H new ATOM 0 HD1 HIS A 64 15.372 0.012 3.954 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.682 1.461 1.087 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.820 -1.921 3.381 1.00 0.00 H new ATOM 965 N LEU A 65 15.547 2.674 -0.426 1.00 0.00 N ATOM 966 CA LEU A 65 15.297 2.189 -1.779 1.00 0.00 C ATOM 967 C LEU A 65 16.608 1.895 -2.503 1.00 0.00 C ATOM 968 O LEU A 65 16.645 1.100 -3.442 1.00 0.00 O ATOM 969 CB LEU A 65 14.485 3.217 -2.568 1.00 0.00 C ATOM 970 CG LEU A 65 12.987 3.265 -2.264 1.00 0.00 C ATOM 971 CD1 LEU A 65 12.320 4.387 -3.044 1.00 0.00 C ATOM 972 CD2 LEU A 65 12.334 1.929 -2.583 1.00 0.00 C ATOM 0 H LEU A 65 15.263 3.640 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 65 14.727 1.263 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.906 4.205 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.613 3.013 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 65 12.858 3.464 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.254 4.406 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.768 5.341 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.459 4.220 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.268 1.982 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.473 1.699 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.792 1.146 -1.978 1.00 0.00 H new ATOM 984 N ARG A 66 17.680 2.541 -2.058 1.00 0.00 N ATOM 985 CA ARG A 66 18.993 2.349 -2.663 1.00 0.00 C ATOM 986 C ARG A 66 19.782 1.275 -1.919 1.00 0.00 C ATOM 987 O ARG A 66 20.442 0.436 -2.533 1.00 0.00 O ATOM 988 CB ARG A 66 19.775 3.664 -2.663 1.00 0.00 C ATOM 989 CG ARG A 66 19.182 4.725 -3.575 1.00 0.00 C ATOM 990 CD ARG A 66 19.905 6.054 -3.427 1.00 0.00 C ATOM 991 NE ARG A 66 19.600 6.704 -2.155 1.00 0.00 N ATOM 992 CZ ARG A 66 19.873 7.978 -1.896 1.00 0.00 C ATOM 993 NH1 ARG A 66 20.453 8.736 -2.817 1.00 0.00 N ATOM 994 NH2 ARG A 66 19.565 8.497 -0.715 1.00 0.00 N ATOM 0 H ARG A 66 17.666 3.202 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 66 18.847 2.021 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.815 4.053 -1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.802 3.466 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.241 4.391 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.125 4.857 -3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.980 5.892 -3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.623 6.713 -4.248 1.00 0.00 H new ATOM 0 HE ARG A 66 19.153 6.149 -1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.691 8.341 -3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.661 9.714 -2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.118 7.918 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.775 9.475 -0.517 1.00 0.00 H new ATOM 1008 N LYS A 67 19.710 1.308 -0.592 1.00 0.00 N ATOM 1009 CA LYS A 67 20.417 0.339 0.237 1.00 0.00 C ATOM 1010 C LYS A 67 19.781 -1.043 0.120 1.00 0.00 C ATOM 1011 O LYS A 67 20.350 -1.948 -0.490 1.00 0.00 O ATOM 1012 CB LYS A 67 20.415 0.790 1.699 1.00 0.00 C ATOM 1013 CG LYS A 67 21.618 1.638 2.075 1.00 0.00 C ATOM 1014 CD LYS A 67 21.757 2.844 1.162 1.00 0.00 C ATOM 1015 CE LYS A 67 23.211 3.264 1.010 1.00 0.00 C ATOM 1016 NZ LYS A 67 23.414 4.144 -0.173 1.00 0.00 N ATOM 0 H LYS A 67 19.169 1.996 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 67 21.446 0.278 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.505 1.358 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.386 -0.090 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.520 1.972 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.523 1.033 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.341 2.610 0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.177 3.675 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.534 3.786 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.837 2.377 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.418 4.408 -0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.130 3.637 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 22.836 5.003 -0.070 1.00 0.00 H new ATOM 1030 N GLN A 68 18.598 -1.197 0.706 1.00 0.00 N ATOM 1031 CA GLN A 68 17.885 -2.468 0.666 1.00 0.00 C ATOM 1032 C GLN A 68 17.590 -2.881 -0.772 1.00 0.00 C ATOM 1033 O GLN A 68 17.840 -4.022 -1.165 1.00 0.00 O ATOM 1034 CB GLN A 68 16.581 -2.371 1.459 1.00 0.00 C ATOM 1035 CG GLN A 68 16.777 -2.454 2.964 1.00 0.00 C ATOM 1036 CD GLN A 68 17.417 -3.758 3.398 1.00 0.00 C ATOM 1037 OE1 GLN A 68 16.736 -4.768 3.578 1.00 0.00 O ATOM 1038 NE2 GLN A 68 18.734 -3.744 3.569 1.00 0.00 N ATOM 0 H GLN A 68 18.113 -0.457 1.214 1.00 0.00 H new ATOM 0 HA GLN A 68 18.522 -3.227 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.087 -1.430 1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.913 -3.172 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.399 -1.621 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.812 -2.345 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 68 19.260 -2.885 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 68 19.219 -4.592 3.860 1.00 0.00 H new ATOM 1047 N HIS A 69 17.057 -1.948 -1.554 1.00 0.00 N ATOM 1048 CA HIS A 69 16.728 -2.215 -2.949 1.00 0.00 C ATOM 1049 C HIS A 69 17.763 -1.592 -3.881 1.00 0.00 C ATOM 1050 O HIS A 69 18.762 -1.033 -3.429 1.00 0.00 O ATOM 1051 CB HIS A 69 15.336 -1.674 -3.280 1.00 0.00 C ATOM 1052 CG HIS A 69 14.241 -2.310 -2.480 1.00 0.00 C ATOM 1053 ND1 HIS A 69 13.767 -3.581 -2.730 1.00 0.00 N ATOM 1054 CD2 HIS A 69 13.528 -1.844 -1.428 1.00 0.00 C ATOM 1055 CE1 HIS A 69 12.808 -3.868 -1.867 1.00 0.00 C ATOM 1056 NE2 HIS A 69 12.644 -2.831 -1.066 1.00 0.00 N ATOM 0 H HIS A 69 16.844 -1.000 -1.245 1.00 0.00 H new ATOM 0 HA HIS A 69 16.735 -3.295 -3.097 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.323 -0.598 -3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.137 -1.829 -4.340 1.00 0.00 H new ATOM 0 HD1 HIS A 69 14.104 -4.202 -3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.634 -0.876 -0.960 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.253 -4.793 -1.824 1.00 0.00 H new ATOM 1064 N SER A 70 17.517 -1.693 -5.183 1.00 0.00 N ATOM 1065 CA SER A 70 18.430 -1.143 -6.178 1.00 0.00 C ATOM 1066 C SER A 70 17.871 0.145 -6.775 1.00 0.00 C ATOM 1067 O SER A 70 16.963 0.115 -7.606 1.00 0.00 O ATOM 1068 CB SER A 70 18.683 -2.165 -7.289 1.00 0.00 C ATOM 1069 OG SER A 70 19.106 -3.407 -6.752 1.00 0.00 O ATOM 0 H SER A 70 16.693 -2.151 -5.574 1.00 0.00 H new ATOM 0 HA SER A 70 19.373 -0.914 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.772 -2.308 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.441 -1.784 -7.973 1.00 0.00 H new ATOM 0 HG SER A 70 19.259 -4.043 -7.481 1.00 0.00 H new ATOM 1075 N TYR A 71 18.421 1.276 -6.345 1.00 0.00 N ATOM 1076 CA TYR A 71 17.977 2.575 -6.834 1.00 0.00 C ATOM 1077 C TYR A 71 19.167 3.444 -7.231 1.00 0.00 C ATOM 1078 O TYR A 71 19.207 4.637 -6.930 1.00 0.00 O ATOM 1079 CB TYR A 71 17.145 3.288 -5.767 1.00 0.00 C ATOM 1080 CG TYR A 71 15.661 3.019 -5.876 1.00 0.00 C ATOM 1081 CD1 TYR A 71 15.166 1.721 -5.836 1.00 0.00 C ATOM 1082 CD2 TYR A 71 14.754 4.062 -6.017 1.00 0.00 C ATOM 1083 CE1 TYR A 71 13.811 1.471 -5.936 1.00 0.00 C ATOM 1084 CE2 TYR A 71 13.397 3.821 -6.116 1.00 0.00 C ATOM 1085 CZ TYR A 71 12.931 2.523 -6.075 1.00 0.00 C ATOM 1086 OH TYR A 71 11.581 2.278 -6.174 1.00 0.00 O ATOM 0 H TYR A 71 19.175 1.319 -5.659 1.00 0.00 H new ATOM 0 HA TYR A 71 17.360 2.410 -7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 71 17.491 2.977 -4.781 1.00 0.00 H new ATOM 0 HB3 TYR A 71 17.317 4.362 -5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 71 15.852 0.894 -5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 71 15.116 5.079 -6.050 1.00 0.00 H new ATOM 0 HE1 TYR A 71 13.443 0.456 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 71 12.706 4.643 -6.225 1.00 0.00 H new ATOM 0 HH TYR A 71 11.222 2.062 -5.288 1.00 0.00 H new ATOM 1096 N SER A 72 20.135 2.835 -7.909 1.00 0.00 N ATOM 1097 CA SER A 72 21.328 3.550 -8.346 1.00 0.00 C ATOM 1098 C SER A 72 21.608 3.289 -9.823 1.00 0.00 C ATOM 1099 O SER A 72 21.809 4.219 -10.602 1.00 0.00 O ATOM 1100 CB SER A 72 22.535 3.132 -7.504 1.00 0.00 C ATOM 1101 OG SER A 72 23.684 3.886 -7.851 1.00 0.00 O ATOM 0 H SER A 72 20.116 1.848 -8.167 1.00 0.00 H new ATOM 0 HA SER A 72 21.152 4.617 -8.211 1.00 0.00 H new ATOM 0 HB2 SER A 72 22.310 3.271 -6.446 1.00 0.00 H new ATOM 0 HB3 SER A 72 22.735 2.071 -7.651 1.00 0.00 H new ATOM 0 HG SER A 72 24.441 3.601 -7.298 1.00 0.00 H new ATOM 1107 N GLY A 73 21.621 2.014 -10.200 1.00 0.00 N ATOM 1108 CA GLY A 73 21.878 1.652 -11.581 1.00 0.00 C ATOM 1109 C GLY A 73 22.291 0.201 -11.733 1.00 0.00 C ATOM 1110 O GLY A 73 21.617 -0.712 -11.256 1.00 0.00 O ATOM 0 H GLY A 73 21.458 1.226 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 73 20.982 1.836 -12.174 1.00 0.00 H new ATOM 0 HA3 GLY A 73 22.663 2.294 -11.982 1.00 0.00 H new ATOM 1114 N PRO A 74 23.424 -0.027 -12.413 1.00 0.00 N ATOM 1115 CA PRO A 74 23.951 -1.376 -12.643 1.00 0.00 C ATOM 1116 C PRO A 74 24.474 -2.020 -11.364 1.00 0.00 C ATOM 1117 O PRO A 74 24.209 -3.191 -11.094 1.00 0.00 O ATOM 1118 CB PRO A 74 25.097 -1.145 -13.632 1.00 0.00 C ATOM 1119 CG PRO A 74 25.523 0.263 -13.396 1.00 0.00 C ATOM 1120 CD PRO A 74 24.279 1.013 -13.009 1.00 0.00 C ATOM 0 HA PRO A 74 23.183 -2.056 -13.010 1.00 0.00 H new ATOM 0 HB2 PRO A 74 25.917 -1.841 -13.457 1.00 0.00 H new ATOM 0 HB3 PRO A 74 24.768 -1.292 -14.661 1.00 0.00 H new ATOM 0 HG2 PRO A 74 26.272 0.317 -12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 74 25.973 0.690 -14.292 1.00 0.00 H new ATOM 0 HD2 PRO A 74 24.496 1.811 -12.298 1.00 0.00 H new ATOM 0 HD3 PRO A 74 23.804 1.477 -13.874 1.00 0.00 H new ATOM 1128 N SER A 75 25.218 -1.247 -10.579 1.00 0.00 N ATOM 1129 CA SER A 75 25.781 -1.744 -9.329 1.00 0.00 C ATOM 1130 C SER A 75 25.780 -0.654 -8.261 1.00 0.00 C ATOM 1131 O SER A 75 26.270 0.452 -8.487 1.00 0.00 O ATOM 1132 CB SER A 75 27.206 -2.253 -9.553 1.00 0.00 C ATOM 1133 OG SER A 75 27.607 -3.123 -8.509 1.00 0.00 O ATOM 0 H SER A 75 25.445 -0.274 -10.787 1.00 0.00 H new ATOM 0 HA SER A 75 25.159 -2.569 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 75 27.263 -2.775 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 75 27.892 -1.408 -9.610 1.00 0.00 H new ATOM 0 HG SER A 75 28.520 -3.436 -8.677 1.00 0.00 H new ATOM 1139 N SER A 76 25.225 -0.976 -7.097 1.00 0.00 N ATOM 1140 CA SER A 76 25.156 -0.024 -5.994 1.00 0.00 C ATOM 1141 C SER A 76 26.470 0.738 -5.850 1.00 0.00 C ATOM 1142 O SER A 76 27.550 0.168 -5.999 1.00 0.00 O ATOM 1143 CB SER A 76 24.827 -0.748 -4.687 1.00 0.00 C ATOM 1144 OG SER A 76 24.674 0.171 -3.619 1.00 0.00 O ATOM 0 H SER A 76 24.817 -1.888 -6.893 1.00 0.00 H new ATOM 0 HA SER A 76 24.364 0.692 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.910 -1.325 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 76 25.621 -1.456 -4.450 1.00 0.00 H new ATOM 0 HG SER A 76 24.463 -0.317 -2.796 1.00 0.00 H new ATOM 1150 N GLY A 77 26.369 2.031 -5.560 1.00 0.00 N ATOM 1151 CA GLY A 77 27.556 2.851 -5.402 1.00 0.00 C ATOM 1152 C GLY A 77 28.429 2.391 -4.251 1.00 0.00 C ATOM 1153 O GLY A 77 29.310 1.560 -4.464 1.00 0.00 O ATOM 0 H GLY A 77 25.486 2.526 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 77 28.135 2.828 -6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 77 27.259 3.887 -5.238 1.00 0.00 H new TER 1157 GLY A 77 HETATM 1158 ZN ZN A 201 -4.856 8.684 -3.135 1.00 0.00 ZN HETATM 1159 ZN ZN A 401 11.553 -1.866 0.761 1.00 0.00 ZN