USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 795 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 35 HIS HE2 : A 35 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 71 THR OG1 : rot 63:sc= 1.03 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 GLN : amide:sc=-0.00352 K(o=-1,f=-8.1!) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 174:sc= -0.994 (180deg=-1.54) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 31:sc= 0.778 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0399) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.41 K(o=-0.41,f=-3.2!) USER MOD Single : A 27 SER OG : rot 180:sc=-0.00231 USER MOD Single : A 28 SER OG : rot 5:sc= 1.08 USER MOD Single : A 32 GLN : amide:sc= -1.17 K(o=-1.2,f=-3!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -1.08! F(o=-1.8,f=-1.1!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 49 SER OG : rot -58:sc= 0.0768 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 0.9 (180deg=0.753) USER MOD Single : A 59 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 172:sc= -3.07! (180deg=-3.44!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.606 K(o=-0.61,f=-1.6!) USER MOD Single : A 93 HIS :FLIP no HE2:sc= -1.23 F(o=-2.3!,f=-1.2) USER MOD Single : A 94 ASN : amide:sc= -1.06! C(o=-1.1!,f=-1.1!) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.146 F(o=-0.79,f=-0.15) USER MOD Single : A 96 ASN : amide:sc= -0.631 X(o=-0.63,f=-0.39) USER MOD Single : A 97 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.1!) USER MOD Single : A 98 MET CE :methyl -121:sc= 0 (180deg=-0.000312) USER MOD Single : A 101 THR OG1 : rot -19:sc= 0.31 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.891 -13.048 17.974 1.00 0.00 N ATOM 2 CA GLY A 1 -40.519 -12.792 16.691 1.00 0.00 C ATOM 3 C GLY A 1 -41.923 -13.358 16.611 1.00 0.00 C ATOM 4 O GLY A 1 -42.119 -14.568 16.716 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.934 -12.642 17.979 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.456 -12.612 18.730 1.00 0.00 H new ATOM 0 H3 GLY A 1 -39.833 -14.074 18.133 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -40.553 -11.717 16.514 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.910 -13.226 15.898 1.00 0.00 H new ATOM 8 N SER A 2 -42.904 -12.479 16.425 1.00 0.00 N ATOM 9 CA SER A 2 -44.298 -12.897 16.337 1.00 0.00 C ATOM 10 C SER A 2 -44.425 -14.206 15.562 1.00 0.00 C ATOM 11 O SER A 2 -45.156 -15.110 15.964 1.00 0.00 O ATOM 12 CB SER A 2 -45.137 -11.810 15.663 1.00 0.00 C ATOM 13 OG SER A 2 -46.480 -12.230 15.499 1.00 0.00 O ATOM 0 H SER A 2 -42.758 -11.474 16.332 1.00 0.00 H new ATOM 0 HA SER A 2 -44.668 -13.056 17.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 -45.108 -10.900 16.262 1.00 0.00 H new ATOM 0 HB3 SER A 2 -44.708 -11.565 14.691 1.00 0.00 H new ATOM 0 HG SER A 2 -46.995 -11.517 15.067 1.00 0.00 H new ATOM 19 N SER A 3 -43.706 -14.298 14.447 1.00 0.00 N ATOM 20 CA SER A 3 -43.740 -15.493 13.613 1.00 0.00 C ATOM 21 C SER A 3 -42.327 -15.961 13.276 1.00 0.00 C ATOM 22 O SER A 3 -42.019 -17.149 13.356 1.00 0.00 O ATOM 23 CB SER A 3 -44.519 -15.220 12.325 1.00 0.00 C ATOM 24 OG SER A 3 -44.638 -16.395 11.542 1.00 0.00 O ATOM 0 H SER A 3 -43.093 -13.559 14.101 1.00 0.00 H new ATOM 0 HA SER A 3 -44.242 -16.282 14.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 -45.511 -14.840 12.570 1.00 0.00 H new ATOM 0 HB3 SER A 3 -44.014 -14.445 11.749 1.00 0.00 H new ATOM 0 HG SER A 3 -45.141 -16.194 10.725 1.00 0.00 H new ATOM 30 N GLY A 4 -41.472 -15.016 12.899 1.00 0.00 N ATOM 31 CA GLY A 4 -40.102 -15.349 12.555 1.00 0.00 C ATOM 32 C GLY A 4 -39.925 -15.622 11.075 1.00 0.00 C ATOM 33 O GLY A 4 -40.903 -15.801 10.349 1.00 0.00 O ATOM 0 H GLY A 4 -41.703 -14.025 12.826 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -39.447 -14.529 12.851 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -39.791 -16.226 13.123 1.00 0.00 H new ATOM 37 N SER A 5 -38.675 -15.653 10.625 1.00 0.00 N ATOM 38 CA SER A 5 -38.374 -15.901 9.220 1.00 0.00 C ATOM 39 C SER A 5 -36.934 -16.376 9.048 1.00 0.00 C ATOM 40 O SER A 5 -35.989 -15.660 9.379 1.00 0.00 O ATOM 41 CB SER A 5 -38.607 -14.634 8.396 1.00 0.00 C ATOM 42 OG SER A 5 -39.965 -14.519 8.008 1.00 0.00 O ATOM 0 H SER A 5 -37.854 -15.509 11.213 1.00 0.00 H new ATOM 0 HA SER A 5 -39.042 -16.686 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.317 -13.760 8.978 1.00 0.00 H new ATOM 0 HB3 SER A 5 -37.973 -14.651 7.510 1.00 0.00 H new ATOM 0 HG SER A 5 -40.536 -14.931 8.689 1.00 0.00 H new ATOM 48 N SER A 6 -36.776 -17.589 8.528 1.00 0.00 N ATOM 49 CA SER A 6 -35.452 -18.163 8.316 1.00 0.00 C ATOM 50 C SER A 6 -35.446 -19.077 7.094 1.00 0.00 C ATOM 51 O SER A 6 -36.420 -19.779 6.825 1.00 0.00 O ATOM 52 CB SER A 6 -35.007 -18.944 9.553 1.00 0.00 C ATOM 53 OG SER A 6 -34.822 -18.081 10.662 1.00 0.00 O ATOM 0 H SER A 6 -37.548 -18.193 8.246 1.00 0.00 H new ATOM 0 HA SER A 6 -34.753 -17.346 8.141 1.00 0.00 H new ATOM 0 HB2 SER A 6 -35.753 -19.700 9.797 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.077 -19.471 9.339 1.00 0.00 H new ATOM 0 HG SER A 6 -34.539 -18.605 11.441 1.00 0.00 H new ATOM 59 N GLY A 7 -34.340 -19.062 6.357 1.00 0.00 N ATOM 60 CA GLY A 7 -34.226 -19.892 5.172 1.00 0.00 C ATOM 61 C GLY A 7 -32.865 -19.782 4.515 1.00 0.00 C ATOM 62 O GLY A 7 -31.976 -19.099 5.024 1.00 0.00 O ATOM 0 H GLY A 7 -33.520 -18.490 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -34.413 -20.932 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -34.996 -19.605 4.456 1.00 0.00 H new ATOM 66 N ALA A 8 -32.700 -20.457 3.382 1.00 0.00 N ATOM 67 CA ALA A 8 -31.437 -20.432 2.655 1.00 0.00 C ATOM 68 C ALA A 8 -31.672 -20.395 1.149 1.00 0.00 C ATOM 69 O ALA A 8 -32.811 -20.458 0.687 1.00 0.00 O ATOM 70 CB ALA A 8 -30.588 -21.638 3.029 1.00 0.00 C ATOM 0 H ALA A 8 -33.425 -21.028 2.948 1.00 0.00 H new ATOM 0 HA ALA A 8 -30.902 -19.525 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.648 -21.606 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.382 -21.620 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -31.125 -22.553 2.778 1.00 0.00 H new ATOM 76 N SER A 9 -30.587 -20.291 0.388 1.00 0.00 N ATOM 77 CA SER A 9 -30.676 -20.240 -1.067 1.00 0.00 C ATOM 78 C SER A 9 -29.590 -21.099 -1.708 1.00 0.00 C ATOM 79 O SER A 9 -28.424 -21.066 -1.313 1.00 0.00 O ATOM 80 CB SER A 9 -30.555 -18.796 -1.557 1.00 0.00 C ATOM 81 OG SER A 9 -30.507 -18.739 -2.972 1.00 0.00 O ATOM 0 H SER A 9 -29.636 -20.240 0.755 1.00 0.00 H new ATOM 0 HA SER A 9 -31.649 -20.635 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 9 -31.403 -18.214 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 9 -29.656 -18.342 -1.141 1.00 0.00 H new ATOM 0 HG SER A 9 -30.431 -17.805 -3.259 1.00 0.00 H new ATOM 87 N PRO A 10 -29.980 -21.887 -2.721 1.00 0.00 N ATOM 88 CA PRO A 10 -29.055 -22.769 -3.439 1.00 0.00 C ATOM 89 C PRO A 10 -28.061 -21.993 -4.296 1.00 0.00 C ATOM 90 O PRO A 10 -28.186 -20.780 -4.464 1.00 0.00 O ATOM 91 CB PRO A 10 -29.981 -23.610 -4.322 1.00 0.00 C ATOM 92 CG PRO A 10 -31.192 -22.763 -4.514 1.00 0.00 C ATOM 93 CD PRO A 10 -31.354 -21.976 -3.243 1.00 0.00 C ATOM 0 HA PRO A 10 -28.442 -23.359 -2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -29.510 -23.849 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -30.232 -24.557 -3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -31.072 -22.100 -5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -32.071 -23.378 -4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -31.777 -20.989 -3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -32.019 -22.479 -2.541 1.00 0.00 H new ATOM 101 N VAL A 11 -27.074 -22.701 -4.837 1.00 0.00 N ATOM 102 CA VAL A 11 -26.060 -22.078 -5.678 1.00 0.00 C ATOM 103 C VAL A 11 -25.994 -22.748 -7.046 1.00 0.00 C ATOM 104 O VAL A 11 -25.740 -23.948 -7.149 1.00 0.00 O ATOM 105 CB VAL A 11 -24.668 -22.142 -5.020 1.00 0.00 C ATOM 106 CG1 VAL A 11 -24.229 -23.587 -4.839 1.00 0.00 C ATOM 107 CG2 VAL A 11 -23.653 -21.367 -5.846 1.00 0.00 C ATOM 0 H VAL A 11 -26.956 -23.706 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 11 -26.348 -21.034 -5.801 1.00 0.00 H new ATOM 0 HB VAL A 11 -24.729 -21.680 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -23.244 -23.612 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -24.945 -24.108 -4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -24.183 -24.078 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.675 -21.423 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -23.592 -21.798 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -23.963 -20.324 -5.918 1.00 0.00 H new ATOM 117 N GLU A 12 -26.224 -21.964 -8.095 1.00 0.00 N ATOM 118 CA GLU A 12 -26.191 -22.482 -9.457 1.00 0.00 C ATOM 119 C GLU A 12 -25.521 -21.488 -10.401 1.00 0.00 C ATOM 120 O GLU A 12 -25.015 -20.452 -9.972 1.00 0.00 O ATOM 121 CB GLU A 12 -27.609 -22.788 -9.945 1.00 0.00 C ATOM 122 CG GLU A 12 -28.177 -24.083 -9.389 1.00 0.00 C ATOM 123 CD GLU A 12 -29.248 -24.681 -10.281 1.00 0.00 C ATOM 124 OE1 GLU A 12 -30.373 -24.139 -10.301 1.00 0.00 O ATOM 125 OE2 GLU A 12 -28.961 -25.690 -10.958 1.00 0.00 O ATOM 0 H GLU A 12 -26.435 -20.968 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 12 -25.609 -23.403 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -28.266 -21.964 -9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -27.606 -22.840 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -27.370 -24.805 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -28.596 -23.897 -8.400 1.00 0.00 H new ATOM 132 N ASN A 13 -25.521 -21.812 -11.690 1.00 0.00 N ATOM 133 CA ASN A 13 -24.912 -20.949 -12.696 1.00 0.00 C ATOM 134 C ASN A 13 -25.489 -19.538 -12.623 1.00 0.00 C ATOM 135 O ASN A 13 -26.673 -19.325 -12.884 1.00 0.00 O ATOM 136 CB ASN A 13 -25.130 -21.529 -14.095 1.00 0.00 C ATOM 137 CG ASN A 13 -24.595 -20.622 -15.186 1.00 0.00 C ATOM 138 OD1 ASN A 13 -23.384 -20.461 -15.337 1.00 0.00 O ATOM 139 ND2 ASN A 13 -25.499 -20.024 -15.954 1.00 0.00 N ATOM 0 H ASN A 13 -25.936 -22.666 -12.063 1.00 0.00 H new ATOM 0 HA ASN A 13 -23.842 -20.896 -12.494 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.642 -22.501 -14.163 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -26.195 -21.696 -14.254 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -25.199 -19.402 -16.705 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -26.493 -20.187 -15.793 1.00 0.00 H new ATOM 146 N LYS A 14 -24.643 -18.578 -12.267 1.00 0.00 N ATOM 147 CA LYS A 14 -25.065 -17.186 -12.161 1.00 0.00 C ATOM 148 C LYS A 14 -23.980 -16.247 -12.679 1.00 0.00 C ATOM 149 O LYS A 14 -22.831 -16.650 -12.854 1.00 0.00 O ATOM 150 CB LYS A 14 -25.401 -16.843 -10.708 1.00 0.00 C ATOM 151 CG LYS A 14 -26.649 -17.538 -10.192 1.00 0.00 C ATOM 152 CD LYS A 14 -27.913 -16.862 -10.695 1.00 0.00 C ATOM 153 CE LYS A 14 -29.133 -17.297 -9.898 1.00 0.00 C ATOM 154 NZ LYS A 14 -29.176 -16.656 -8.554 1.00 0.00 N ATOM 0 H LYS A 14 -23.660 -18.738 -12.047 1.00 0.00 H new ATOM 0 HA LYS A 14 -25.957 -17.055 -12.774 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.556 -17.114 -10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.533 -15.765 -10.619 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -26.643 -18.581 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.643 -17.536 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.800 -15.780 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -28.061 -17.102 -11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -30.037 -17.042 -10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -29.124 -18.381 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -30.104 -16.827 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -28.431 -17.061 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -29.023 -15.632 -8.653 1.00 0.00 H new ATOM 168 N GLU A 15 -24.354 -14.994 -12.920 1.00 0.00 N ATOM 169 CA GLU A 15 -23.411 -13.999 -13.416 1.00 0.00 C ATOM 170 C GLU A 15 -23.295 -12.827 -12.446 1.00 0.00 C ATOM 171 O GLU A 15 -24.273 -12.129 -12.178 1.00 0.00 O ATOM 172 CB GLU A 15 -23.847 -13.493 -14.793 1.00 0.00 C ATOM 173 CG GLU A 15 -25.285 -13.005 -14.835 1.00 0.00 C ATOM 174 CD GLU A 15 -25.633 -12.328 -16.147 1.00 0.00 C ATOM 175 OE1 GLU A 15 -25.860 -13.046 -17.143 1.00 0.00 O ATOM 176 OE2 GLU A 15 -25.679 -11.081 -16.176 1.00 0.00 O ATOM 0 H GLU A 15 -25.302 -14.645 -12.780 1.00 0.00 H new ATOM 0 HA GLU A 15 -22.434 -14.474 -13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.187 -12.680 -15.098 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -23.723 -14.294 -15.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -25.956 -13.849 -14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -25.452 -12.307 -14.015 1.00 0.00 H new ATOM 183 N VAL A 16 -22.092 -12.618 -11.920 1.00 0.00 N ATOM 184 CA VAL A 16 -21.847 -11.531 -10.979 1.00 0.00 C ATOM 185 C VAL A 16 -20.668 -10.674 -11.426 1.00 0.00 C ATOM 186 O VAL A 16 -19.748 -11.159 -12.084 1.00 0.00 O ATOM 187 CB VAL A 16 -21.571 -12.067 -9.562 1.00 0.00 C ATOM 188 CG1 VAL A 16 -20.218 -12.760 -9.508 1.00 0.00 C ATOM 189 CG2 VAL A 16 -21.643 -10.940 -8.543 1.00 0.00 C ATOM 0 H VAL A 16 -21.272 -13.187 -12.130 1.00 0.00 H new ATOM 0 HA VAL A 16 -22.749 -10.920 -10.958 1.00 0.00 H new ATOM 0 HB VAL A 16 -22.338 -12.800 -9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -20.040 -13.132 -8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -20.208 -13.594 -10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.435 -12.051 -9.776 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -21.445 -11.337 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -20.898 -10.182 -8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -22.637 -10.493 -8.565 1.00 0.00 H new ATOM 199 N TYR A 17 -20.702 -9.396 -11.062 1.00 0.00 N ATOM 200 CA TYR A 17 -19.637 -8.470 -11.426 1.00 0.00 C ATOM 201 C TYR A 17 -18.612 -8.348 -10.303 1.00 0.00 C ATOM 202 O TYR A 17 -18.790 -7.567 -9.368 1.00 0.00 O ATOM 203 CB TYR A 17 -20.219 -7.093 -11.751 1.00 0.00 C ATOM 204 CG TYR A 17 -21.328 -7.132 -12.779 1.00 0.00 C ATOM 205 CD1 TYR A 17 -21.289 -8.030 -13.838 1.00 0.00 C ATOM 206 CD2 TYR A 17 -22.414 -6.270 -12.690 1.00 0.00 C ATOM 207 CE1 TYR A 17 -22.299 -8.068 -14.780 1.00 0.00 C ATOM 208 CE2 TYR A 17 -23.430 -6.302 -13.626 1.00 0.00 C ATOM 209 CZ TYR A 17 -23.368 -7.203 -14.669 1.00 0.00 C ATOM 210 OH TYR A 17 -24.377 -7.239 -15.604 1.00 0.00 O ATOM 0 H TYR A 17 -21.455 -8.979 -10.516 1.00 0.00 H new ATOM 0 HA TYR A 17 -19.135 -8.864 -12.310 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.600 -6.643 -10.834 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.420 -6.447 -12.115 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -20.455 -8.710 -13.927 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -22.465 -5.563 -11.875 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -22.252 -8.771 -15.599 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -24.268 -5.626 -13.542 1.00 0.00 H new ATOM 0 HH TYR A 17 -25.054 -6.567 -15.380 1.00 0.00 H new ATOM 220 N GLN A 18 -17.540 -9.127 -10.402 1.00 0.00 N ATOM 221 CA GLN A 18 -16.486 -9.107 -9.395 1.00 0.00 C ATOM 222 C GLN A 18 -15.400 -8.102 -9.762 1.00 0.00 C ATOM 223 O GLN A 18 -15.114 -7.883 -10.940 1.00 0.00 O ATOM 224 CB GLN A 18 -15.875 -10.501 -9.238 1.00 0.00 C ATOM 225 CG GLN A 18 -16.485 -11.308 -8.103 1.00 0.00 C ATOM 226 CD GLN A 18 -16.426 -12.802 -8.352 1.00 0.00 C ATOM 227 OE1 GLN A 18 -17.432 -13.428 -8.688 1.00 0.00 O ATOM 228 NE2 GLN A 18 -15.243 -13.384 -8.190 1.00 0.00 N ATOM 0 H GLN A 18 -17.378 -9.780 -11.169 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.930 -8.803 -8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.999 -11.050 -10.171 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.803 -10.402 -9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.961 -11.077 -7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.524 -11.007 -7.966 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.435 -12.828 -7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.143 -14.387 -8.345 1.00 0.00 H new ATOM 237 N CYS A 19 -14.797 -7.491 -8.747 1.00 0.00 N ATOM 238 CA CYS A 19 -13.743 -6.508 -8.963 1.00 0.00 C ATOM 239 C CYS A 19 -12.437 -7.189 -9.362 1.00 0.00 C ATOM 240 O CYS A 19 -12.024 -8.171 -8.747 1.00 0.00 O ATOM 241 CB CYS A 19 -13.529 -5.673 -7.698 1.00 0.00 C ATOM 242 SG CYS A 19 -12.199 -4.437 -7.839 1.00 0.00 S ATOM 0 H CYS A 19 -15.021 -7.660 -7.766 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.054 -5.852 -9.776 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.460 -5.163 -7.451 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -13.302 -6.342 -6.868 1.00 0.00 H new ATOM 247 N ARG A 20 -11.793 -6.659 -10.397 1.00 0.00 N ATOM 248 CA ARG A 20 -10.535 -7.216 -10.880 1.00 0.00 C ATOM 249 C ARG A 20 -9.360 -6.703 -10.052 1.00 0.00 C ATOM 250 O ARG A 20 -8.219 -6.693 -10.515 1.00 0.00 O ATOM 251 CB ARG A 20 -10.328 -6.861 -12.354 1.00 0.00 C ATOM 252 CG ARG A 20 -11.350 -7.496 -13.283 1.00 0.00 C ATOM 253 CD ARG A 20 -11.141 -8.998 -13.398 1.00 0.00 C ATOM 254 NE ARG A 20 -10.042 -9.330 -14.301 1.00 0.00 N ATOM 255 CZ ARG A 20 -9.515 -10.545 -14.401 1.00 0.00 C ATOM 256 NH1 ARG A 20 -9.984 -11.538 -13.658 1.00 0.00 N ATOM 257 NH2 ARG A 20 -8.517 -10.769 -15.247 1.00 0.00 N ATOM 0 H ARG A 20 -12.121 -5.845 -10.917 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.583 -8.300 -10.778 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.370 -5.778 -12.467 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.329 -7.175 -12.658 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.355 -7.295 -12.912 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.278 -7.041 -14.271 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.937 -9.412 -12.411 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.058 -9.465 -13.756 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.658 -8.588 -14.887 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.751 -11.370 -13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.577 -12.470 -13.737 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.154 -10.008 -15.821 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.113 -11.702 -15.323 1.00 0.00 H new ATOM 271 N LEU A 21 -9.648 -6.279 -8.827 1.00 0.00 N ATOM 272 CA LEU A 21 -8.616 -5.764 -7.934 1.00 0.00 C ATOM 273 C LEU A 21 -8.616 -6.519 -6.608 1.00 0.00 C ATOM 274 O LEU A 21 -7.561 -6.876 -6.084 1.00 0.00 O ATOM 275 CB LEU A 21 -8.829 -4.271 -7.683 1.00 0.00 C ATOM 276 CG LEU A 21 -9.129 -3.419 -8.917 1.00 0.00 C ATOM 277 CD1 LEU A 21 -9.536 -2.012 -8.509 1.00 0.00 C ATOM 278 CD2 LEU A 21 -7.923 -3.379 -9.844 1.00 0.00 C ATOM 0 H LEU A 21 -10.587 -6.282 -8.429 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.649 -5.911 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.652 -4.155 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.937 -3.873 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.961 -3.874 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.745 -1.421 -9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.429 -2.058 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.726 -1.547 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.155 -2.768 -10.717 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.072 -2.949 -9.316 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.677 -4.391 -10.165 1.00 0.00 H new ATOM 290 N CYS A 22 -9.808 -6.761 -6.072 1.00 0.00 N ATOM 291 CA CYS A 22 -9.948 -7.475 -4.809 1.00 0.00 C ATOM 292 C CYS A 22 -10.884 -8.671 -4.960 1.00 0.00 C ATOM 293 O CYS A 22 -11.008 -9.494 -4.054 1.00 0.00 O ATOM 294 CB CYS A 22 -10.475 -6.535 -3.723 1.00 0.00 C ATOM 295 SG CYS A 22 -12.028 -5.689 -4.162 1.00 0.00 S ATOM 0 H CYS A 22 -10.691 -6.473 -6.493 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.964 -7.841 -4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -10.631 -7.106 -2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.714 -5.785 -3.506 1.00 0.00 H new ATOM 300 N ASN A 23 -11.540 -8.759 -6.113 1.00 0.00 N ATOM 301 CA ASN A 23 -12.465 -9.854 -6.384 1.00 0.00 C ATOM 302 C ASN A 23 -13.689 -9.768 -5.477 1.00 0.00 C ATOM 303 O ASN A 23 -14.165 -10.780 -4.962 1.00 0.00 O ATOM 304 CB ASN A 23 -11.766 -11.200 -6.189 1.00 0.00 C ATOM 305 CG ASN A 23 -10.435 -11.271 -6.913 1.00 0.00 C ATOM 306 OD1 ASN A 23 -9.440 -10.702 -6.462 1.00 0.00 O ATOM 307 ND2 ASN A 23 -10.411 -11.970 -8.041 1.00 0.00 N ATOM 0 H ASN A 23 -11.448 -8.086 -6.874 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.795 -9.770 -7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.607 -11.373 -5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.415 -11.999 -6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.544 -12.052 -8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.260 -12.425 -8.377 1.00 0.00 H new ATOM 314 N ALA A 24 -14.194 -8.554 -5.288 1.00 0.00 N ATOM 315 CA ALA A 24 -15.364 -8.336 -4.446 1.00 0.00 C ATOM 316 C ALA A 24 -16.623 -8.160 -5.290 1.00 0.00 C ATOM 317 O ALA A 24 -16.724 -7.226 -6.085 1.00 0.00 O ATOM 318 CB ALA A 24 -15.153 -7.123 -3.551 1.00 0.00 C ATOM 0 H ALA A 24 -13.811 -7.706 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.498 -9.217 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.035 -6.973 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.283 -7.287 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.990 -6.239 -4.168 1.00 0.00 H new ATOM 324 N LYS A 25 -17.580 -9.065 -5.112 1.00 0.00 N ATOM 325 CA LYS A 25 -18.832 -9.010 -5.856 1.00 0.00 C ATOM 326 C LYS A 25 -19.477 -7.633 -5.736 1.00 0.00 C ATOM 327 O LYS A 25 -19.559 -7.068 -4.644 1.00 0.00 O ATOM 328 CB LYS A 25 -19.798 -10.083 -5.348 1.00 0.00 C ATOM 329 CG LYS A 25 -19.397 -11.496 -5.737 1.00 0.00 C ATOM 330 CD LYS A 25 -20.485 -12.499 -5.393 1.00 0.00 C ATOM 331 CE LYS A 25 -19.927 -13.909 -5.278 1.00 0.00 C ATOM 332 NZ LYS A 25 -19.451 -14.427 -6.591 1.00 0.00 N ATOM 0 H LYS A 25 -17.512 -9.845 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.610 -9.197 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.861 -10.018 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.795 -9.877 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.190 -11.535 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.475 -11.768 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.958 -12.216 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.260 -12.474 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.103 -13.916 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.696 -14.573 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -18.987 -15.347 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.261 -14.540 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.773 -13.755 -7.004 1.00 0.00 H new ATOM 346 N LEU A 26 -19.934 -7.098 -6.863 1.00 0.00 N ATOM 347 CA LEU A 26 -20.574 -5.787 -6.883 1.00 0.00 C ATOM 348 C LEU A 26 -22.093 -5.922 -6.877 1.00 0.00 C ATOM 349 O LEU A 26 -22.628 -7.028 -6.954 1.00 0.00 O ATOM 350 CB LEU A 26 -20.125 -4.999 -8.115 1.00 0.00 C ATOM 351 CG LEU A 26 -18.809 -4.232 -7.979 1.00 0.00 C ATOM 352 CD1 LEU A 26 -18.763 -3.482 -6.657 1.00 0.00 C ATOM 353 CD2 LEU A 26 -17.625 -5.181 -8.098 1.00 0.00 C ATOM 0 H LEU A 26 -19.873 -7.552 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.273 -5.249 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -20.033 -5.692 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.911 -4.289 -8.374 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.749 -3.504 -8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.819 -2.942 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.591 -2.775 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.846 -4.191 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.697 -4.619 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -17.680 -5.932 -7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.649 -5.673 -9.070 1.00 0.00 H new ATOM 365 N SER A 27 -22.782 -4.789 -6.787 1.00 0.00 N ATOM 366 CA SER A 27 -24.240 -4.781 -6.769 1.00 0.00 C ATOM 367 C SER A 27 -24.799 -4.517 -8.164 1.00 0.00 C ATOM 368 O SER A 27 -25.984 -4.729 -8.420 1.00 0.00 O ATOM 369 CB SER A 27 -24.754 -3.721 -5.793 1.00 0.00 C ATOM 370 OG SER A 27 -26.152 -3.536 -5.929 1.00 0.00 O ATOM 0 H SER A 27 -22.354 -3.865 -6.725 1.00 0.00 H new ATOM 0 HA SER A 27 -24.580 -5.763 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.522 -4.020 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.240 -2.777 -5.973 1.00 0.00 H new ATOM 0 HG SER A 27 -26.455 -2.855 -5.293 1.00 0.00 H new ATOM 376 N SER A 28 -23.936 -4.053 -9.062 1.00 0.00 N ATOM 377 CA SER A 28 -24.343 -3.756 -10.430 1.00 0.00 C ATOM 378 C SER A 28 -23.135 -3.395 -11.290 1.00 0.00 C ATOM 379 O SER A 28 -22.049 -3.129 -10.775 1.00 0.00 O ATOM 380 CB SER A 28 -25.355 -2.609 -10.446 1.00 0.00 C ATOM 381 OG SER A 28 -26.650 -3.067 -10.097 1.00 0.00 O ATOM 0 H SER A 28 -22.951 -3.875 -8.867 1.00 0.00 H new ATOM 0 HA SER A 28 -24.810 -4.649 -10.846 1.00 0.00 H new ATOM 0 HB2 SER A 28 -25.040 -1.832 -9.749 1.00 0.00 H new ATOM 0 HB3 SER A 28 -25.381 -2.156 -11.437 1.00 0.00 H new ATOM 0 HG SER A 28 -26.604 -4.011 -9.838 1.00 0.00 H new ATOM 387 N LEU A 29 -23.333 -3.389 -12.604 1.00 0.00 N ATOM 388 CA LEU A 29 -22.261 -3.061 -13.537 1.00 0.00 C ATOM 389 C LEU A 29 -21.581 -1.752 -13.148 1.00 0.00 C ATOM 390 O LEU A 29 -20.358 -1.630 -13.220 1.00 0.00 O ATOM 391 CB LEU A 29 -22.811 -2.960 -14.961 1.00 0.00 C ATOM 392 CG LEU A 29 -21.839 -3.326 -16.083 1.00 0.00 C ATOM 393 CD1 LEU A 29 -21.572 -4.823 -16.091 1.00 0.00 C ATOM 394 CD2 LEU A 29 -22.385 -2.873 -17.430 1.00 0.00 C ATOM 0 H LEU A 29 -24.226 -3.607 -13.047 1.00 0.00 H new ATOM 0 HA LEU A 29 -21.520 -3.859 -13.496 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -23.684 -3.607 -15.039 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -23.156 -1.939 -15.125 1.00 0.00 H new ATOM 0 HG LEU A 29 -20.896 -2.810 -15.903 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -20.878 -5.065 -16.896 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -21.138 -5.120 -15.136 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -22.508 -5.359 -16.246 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -21.680 -3.142 -18.217 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -23.342 -3.361 -17.617 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -22.524 -1.792 -17.421 1.00 0.00 H new ATOM 406 N LEU A 30 -22.382 -0.776 -12.734 1.00 0.00 N ATOM 407 CA LEU A 30 -21.858 0.524 -12.331 1.00 0.00 C ATOM 408 C LEU A 30 -20.887 0.382 -11.163 1.00 0.00 C ATOM 409 O LEU A 30 -19.708 0.715 -11.281 1.00 0.00 O ATOM 410 CB LEU A 30 -23.005 1.460 -11.944 1.00 0.00 C ATOM 411 CG LEU A 30 -22.767 2.951 -12.191 1.00 0.00 C ATOM 412 CD1 LEU A 30 -23.250 3.346 -13.577 1.00 0.00 C ATOM 413 CD2 LEU A 30 -23.461 3.785 -11.124 1.00 0.00 C ATOM 0 H LEU A 30 -23.396 -0.860 -12.669 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.319 0.949 -13.178 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -23.895 1.158 -12.496 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -23.222 1.318 -10.885 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.696 3.143 -12.134 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.073 4.410 -13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -22.708 2.772 -14.329 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -24.317 3.139 -13.663 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.281 4.843 -11.315 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.533 3.589 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.067 3.521 -10.143 1.00 0.00 H new ATOM 425 N GLU A 31 -21.390 -0.118 -10.039 1.00 0.00 N ATOM 426 CA GLU A 31 -20.566 -0.306 -8.851 1.00 0.00 C ATOM 427 C GLU A 31 -19.194 -0.861 -9.223 1.00 0.00 C ATOM 428 O GLU A 31 -18.208 -0.626 -8.525 1.00 0.00 O ATOM 429 CB GLU A 31 -21.259 -1.248 -7.865 1.00 0.00 C ATOM 430 CG GLU A 31 -21.028 -0.883 -6.409 1.00 0.00 C ATOM 431 CD GLU A 31 -22.055 0.103 -5.884 1.00 0.00 C ATOM 432 OE1 GLU A 31 -23.261 -0.216 -5.930 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.651 1.193 -5.428 1.00 0.00 O ATOM 0 H GLU A 31 -22.364 -0.400 -9.926 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.430 0.666 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.330 -1.246 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.905 -2.264 -8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.056 -1.788 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.031 -0.456 -6.299 1.00 0.00 H new ATOM 440 N GLN A 32 -19.141 -1.599 -10.327 1.00 0.00 N ATOM 441 CA GLN A 32 -17.891 -2.189 -10.791 1.00 0.00 C ATOM 442 C GLN A 32 -16.988 -1.130 -11.416 1.00 0.00 C ATOM 443 O GLN A 32 -15.800 -1.051 -11.105 1.00 0.00 O ATOM 444 CB GLN A 32 -18.172 -3.299 -11.805 1.00 0.00 C ATOM 445 CG GLN A 32 -16.991 -4.230 -12.031 1.00 0.00 C ATOM 446 CD GLN A 32 -17.273 -5.286 -13.082 1.00 0.00 C ATOM 447 OE1 GLN A 32 -18.334 -5.287 -13.709 1.00 0.00 O ATOM 448 NE2 GLN A 32 -16.324 -6.192 -13.281 1.00 0.00 N ATOM 0 H GLN A 32 -19.948 -1.802 -10.916 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.378 -2.615 -9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.025 -3.885 -11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -18.456 -2.848 -12.756 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.124 -3.643 -12.334 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.733 -4.718 -11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.461 -6.154 -12.739 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.458 -6.927 -13.976 1.00 0.00 H new ATOM 457 N GLY A 33 -17.560 -0.318 -12.299 1.00 0.00 N ATOM 458 CA GLY A 33 -16.792 0.725 -12.954 1.00 0.00 C ATOM 459 C GLY A 33 -16.402 1.841 -12.005 1.00 0.00 C ATOM 460 O GLY A 33 -15.449 2.577 -12.260 1.00 0.00 O ATOM 0 H GLY A 33 -18.542 -0.364 -12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.892 0.290 -13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.375 1.139 -13.777 1.00 0.00 H new ATOM 464 N SER A 34 -17.142 1.968 -10.908 1.00 0.00 N ATOM 465 CA SER A 34 -16.872 3.006 -9.920 1.00 0.00 C ATOM 466 C SER A 34 -15.954 2.483 -8.819 1.00 0.00 C ATOM 467 O SER A 34 -14.942 3.103 -8.492 1.00 0.00 O ATOM 468 CB SER A 34 -18.181 3.512 -9.310 1.00 0.00 C ATOM 469 OG SER A 34 -18.723 4.573 -10.077 1.00 0.00 O ATOM 0 H SER A 34 -17.933 1.365 -10.681 1.00 0.00 H new ATOM 0 HA SER A 34 -16.371 3.832 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.900 2.695 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.004 3.850 -8.289 1.00 0.00 H new ATOM 0 HG SER A 34 -19.560 4.878 -9.668 1.00 0.00 H new ATOM 475 N HIS A 35 -16.315 1.336 -8.252 1.00 0.00 N ATOM 476 CA HIS A 35 -15.524 0.728 -7.188 1.00 0.00 C ATOM 477 C HIS A 35 -14.066 0.579 -7.611 1.00 0.00 C ATOM 478 O HIS A 35 -13.166 0.564 -6.773 1.00 0.00 O ATOM 479 CB HIS A 35 -16.100 -0.638 -6.812 1.00 0.00 C ATOM 480 CG HIS A 35 -15.230 -1.419 -5.877 1.00 0.00 C ATOM 481 ND1 HIS A 35 -15.407 -1.423 -4.510 1.00 0.00 N ATOM 482 CD2 HIS A 35 -14.171 -2.226 -6.120 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.494 -2.197 -3.952 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.731 -2.698 -4.907 1.00 0.00 N ATOM 0 H HIS A 35 -17.149 0.810 -8.511 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.566 1.384 -6.318 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -17.078 -0.496 -6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.256 -1.220 -7.721 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -16.130 -0.908 -4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -13.750 -2.456 -7.088 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.389 -2.388 -2.894 1.00 0.00 H new ATOM 492 N GLU A 36 -13.843 0.470 -8.917 1.00 0.00 N ATOM 493 CA GLU A 36 -12.494 0.320 -9.451 1.00 0.00 C ATOM 494 C GLU A 36 -11.732 1.641 -9.380 1.00 0.00 C ATOM 495 O GLU A 36 -10.501 1.659 -9.366 1.00 0.00 O ATOM 496 CB GLU A 36 -12.546 -0.175 -10.898 1.00 0.00 C ATOM 497 CG GLU A 36 -12.781 -1.671 -11.021 1.00 0.00 C ATOM 498 CD GLU A 36 -12.949 -2.118 -12.460 1.00 0.00 C ATOM 499 OE1 GLU A 36 -13.835 -1.574 -13.152 1.00 0.00 O ATOM 500 OE2 GLU A 36 -12.194 -3.013 -12.895 1.00 0.00 O ATOM 0 H GLU A 36 -14.578 0.483 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.969 -0.416 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.340 0.354 -11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.609 0.079 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.942 -2.205 -10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.671 -1.943 -10.454 1.00 0.00 H new ATOM 507 N ARG A 37 -12.473 2.743 -9.338 1.00 0.00 N ATOM 508 CA ARG A 37 -11.868 4.068 -9.271 1.00 0.00 C ATOM 509 C ARG A 37 -11.254 4.317 -7.896 1.00 0.00 C ATOM 510 O ARG A 37 -10.136 4.821 -7.785 1.00 0.00 O ATOM 511 CB ARG A 37 -12.911 5.144 -9.577 1.00 0.00 C ATOM 512 CG ARG A 37 -13.211 5.297 -11.060 1.00 0.00 C ATOM 513 CD ARG A 37 -14.541 5.997 -11.290 1.00 0.00 C ATOM 514 NE ARG A 37 -15.062 5.755 -12.632 1.00 0.00 N ATOM 515 CZ ARG A 37 -16.197 6.276 -13.085 1.00 0.00 C ATOM 516 NH1 ARG A 37 -16.925 7.065 -12.307 1.00 0.00 N ATOM 517 NH2 ARG A 37 -16.605 6.009 -14.320 1.00 0.00 N ATOM 0 H ARG A 37 -13.493 2.745 -9.349 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.076 4.116 -10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.835 4.903 -9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.561 6.099 -9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.412 5.865 -11.537 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.229 4.315 -11.532 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.265 5.651 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.418 7.069 -11.137 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.525 5.153 -13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.614 7.273 -11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.796 7.464 -12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.047 5.403 -14.922 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.477 6.409 -14.667 1.00 0.00 H new ATOM 531 N LEU A 38 -11.993 3.960 -6.851 1.00 0.00 N ATOM 532 CA LEU A 38 -11.522 4.145 -5.483 1.00 0.00 C ATOM 533 C LEU A 38 -10.677 2.958 -5.033 1.00 0.00 C ATOM 534 O LEU A 38 -9.806 3.092 -4.172 1.00 0.00 O ATOM 535 CB LEU A 38 -12.708 4.329 -4.535 1.00 0.00 C ATOM 536 CG LEU A 38 -13.964 3.521 -4.865 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.690 3.119 -3.591 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.885 4.317 -5.778 1.00 0.00 C ATOM 0 H LEU A 38 -12.920 3.541 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.901 5.040 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.386 4.066 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.974 5.386 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.662 2.614 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.581 2.545 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.030 2.510 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.980 4.014 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.774 3.727 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.179 5.242 -5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.363 4.554 -6.705 1.00 0.00 H new ATOM 550 N CYS A 39 -10.937 1.795 -5.622 1.00 0.00 N ATOM 551 CA CYS A 39 -10.200 0.584 -5.284 1.00 0.00 C ATOM 552 C CYS A 39 -8.857 0.545 -6.007 1.00 0.00 C ATOM 553 O CYS A 39 -8.176 -0.480 -6.017 1.00 0.00 O ATOM 554 CB CYS A 39 -11.022 -0.655 -5.644 1.00 0.00 C ATOM 555 SG CYS A 39 -10.264 -2.228 -5.123 1.00 0.00 S ATOM 0 H CYS A 39 -11.654 1.666 -6.336 1.00 0.00 H new ATOM 0 HA CYS A 39 -10.014 0.589 -4.210 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.007 -0.570 -5.186 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.173 -0.677 -6.723 1.00 0.00 H new ATOM 560 N ARG A 40 -8.484 1.668 -6.611 1.00 0.00 N ATOM 561 CA ARG A 40 -7.223 1.763 -7.337 1.00 0.00 C ATOM 562 C ARG A 40 -6.314 2.818 -6.714 1.00 0.00 C ATOM 563 O ARG A 40 -5.091 2.695 -6.745 1.00 0.00 O ATOM 564 CB ARG A 40 -7.481 2.100 -8.807 1.00 0.00 C ATOM 565 CG ARG A 40 -6.256 1.937 -9.693 1.00 0.00 C ATOM 566 CD ARG A 40 -6.621 2.016 -11.167 1.00 0.00 C ATOM 567 NE ARG A 40 -5.504 2.486 -11.982 1.00 0.00 N ATOM 568 CZ ARG A 40 -5.655 3.173 -13.109 1.00 0.00 C ATOM 569 NH1 ARG A 40 -6.870 3.468 -13.552 1.00 0.00 N ATOM 570 NH2 ARG A 40 -4.590 3.566 -13.796 1.00 0.00 N ATOM 0 H ARG A 40 -9.037 2.525 -6.612 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.723 0.796 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.279 1.460 -9.183 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.837 3.128 -8.878 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.528 2.712 -9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.780 0.978 -9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.936 1.033 -11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.471 2.687 -11.295 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.556 2.275 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.691 3.167 -13.027 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.983 3.996 -14.418 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.654 3.341 -13.459 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.707 4.093 -14.661 1.00 0.00 H new ATOM 584 N ASN A 41 -6.922 3.856 -6.149 1.00 0.00 N ATOM 585 CA ASN A 41 -6.168 4.934 -5.520 1.00 0.00 C ATOM 586 C ASN A 41 -6.393 4.947 -4.011 1.00 0.00 C ATOM 587 O ASN A 41 -6.006 5.890 -3.323 1.00 0.00 O ATOM 588 CB ASN A 41 -6.572 6.284 -6.117 1.00 0.00 C ATOM 589 CG ASN A 41 -7.975 6.697 -5.718 1.00 0.00 C ATOM 590 OD1 ASN A 41 -8.093 7.368 -4.579 1.00 0.00 O flip ATOM 591 ND2 ASN A 41 -8.942 6.415 -6.427 1.00 0.00 N flip ATOM 0 H ASN A 41 -7.935 3.973 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.109 4.761 -5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.865 7.048 -5.792 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.507 6.231 -7.204 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.804 5.897 -7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.880 6.699 -6.146 1.00 0.00 H new ATOM 598 N ALA A 42 -7.021 3.891 -3.503 1.00 0.00 N ATOM 599 CA ALA A 42 -7.295 3.779 -2.076 1.00 0.00 C ATOM 600 C ALA A 42 -6.002 3.680 -1.274 1.00 0.00 C ATOM 601 O ALA A 42 -5.792 4.431 -0.322 1.00 0.00 O ATOM 602 CB ALA A 42 -8.182 2.573 -1.802 1.00 0.00 C ATOM 0 H ALA A 42 -7.349 3.101 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.819 4.681 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.379 2.501 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.125 2.686 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.679 1.667 -2.140 1.00 0.00 H new ATOM 608 N ALA A 43 -5.138 2.749 -1.666 1.00 0.00 N ATOM 609 CA ALA A 43 -3.865 2.553 -0.985 1.00 0.00 C ATOM 610 C ALA A 43 -2.725 2.398 -1.985 1.00 0.00 C ATOM 611 O ALA A 43 -2.535 1.329 -2.565 1.00 0.00 O ATOM 612 CB ALA A 43 -3.936 1.338 -0.071 1.00 0.00 C ATOM 0 H ALA A 43 -5.297 2.119 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.666 3.438 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.978 1.204 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.718 1.488 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.163 0.451 -0.662 1.00 0.00 H new ATOM 618 N VAL A 44 -1.969 3.473 -2.185 1.00 0.00 N ATOM 619 CA VAL A 44 -0.847 3.456 -3.116 1.00 0.00 C ATOM 620 C VAL A 44 0.467 3.743 -2.398 1.00 0.00 C ATOM 621 O VAL A 44 0.717 4.867 -1.962 1.00 0.00 O ATOM 622 CB VAL A 44 -1.038 4.487 -4.244 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.175 4.507 -5.161 1.00 0.00 C ATOM 624 CG2 VAL A 44 -2.305 4.187 -5.030 1.00 0.00 C ATOM 0 H VAL A 44 -2.113 4.367 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.811 2.457 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.141 5.475 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.021 5.241 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.062 4.773 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.313 3.521 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.425 4.925 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.234 3.192 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.166 4.229 -4.363 1.00 0.00 H new ATOM 634 N CYS A 45 1.306 2.719 -2.279 1.00 0.00 N ATOM 635 CA CYS A 45 2.596 2.859 -1.614 1.00 0.00 C ATOM 636 C CYS A 45 3.510 3.800 -2.394 1.00 0.00 C ATOM 637 O CYS A 45 3.843 3.561 -3.555 1.00 0.00 O ATOM 638 CB CYS A 45 3.265 1.492 -1.459 1.00 0.00 C ATOM 639 SG CYS A 45 4.816 1.527 -0.505 1.00 0.00 S ATOM 0 H CYS A 45 1.115 1.782 -2.635 1.00 0.00 H new ATOM 0 HA CYS A 45 2.423 3.285 -0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.567 0.811 -0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.469 1.085 -2.449 1.00 0.00 H new ATOM 644 N PRO A 46 3.926 4.896 -1.742 1.00 0.00 N ATOM 645 CA PRO A 46 4.808 5.894 -2.354 1.00 0.00 C ATOM 646 C PRO A 46 6.222 5.365 -2.568 1.00 0.00 C ATOM 647 O PRO A 46 7.121 6.109 -2.962 1.00 0.00 O ATOM 648 CB PRO A 46 4.813 7.036 -1.335 1.00 0.00 C ATOM 649 CG PRO A 46 4.495 6.383 -0.034 1.00 0.00 C ATOM 650 CD PRO A 46 3.568 5.244 -0.357 1.00 0.00 C ATOM 0 HA PRO A 46 4.463 6.190 -3.345 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.782 7.533 -1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.074 7.796 -1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.401 6.022 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.023 7.088 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.715 4.402 0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.522 5.541 -0.275 1.00 0.00 H new ATOM 658 N TYR A 47 6.412 4.076 -2.307 1.00 0.00 N ATOM 659 CA TYR A 47 7.718 3.448 -2.469 1.00 0.00 C ATOM 660 C TYR A 47 7.776 2.637 -3.760 1.00 0.00 C ATOM 661 O TYR A 47 8.597 2.904 -4.638 1.00 0.00 O ATOM 662 CB TYR A 47 8.026 2.546 -1.272 1.00 0.00 C ATOM 663 CG TYR A 47 7.944 3.258 0.059 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.383 4.569 0.196 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.430 2.619 1.181 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.312 5.223 1.411 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.353 3.266 2.399 1.00 0.00 C ATOM 668 CZ TYR A 47 7.796 4.567 2.509 1.00 0.00 C ATOM 669 OH TYR A 47 7.722 5.215 3.721 1.00 0.00 O ATOM 0 H TYR A 47 5.678 3.446 -1.982 1.00 0.00 H new ATOM 0 HA TYR A 47 8.468 4.237 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.329 1.708 -1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.026 2.128 -1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.787 5.086 -0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.085 1.599 1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.659 6.242 1.500 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.948 2.756 3.260 1.00 0.00 H new ATOM 0 HH TYR A 47 7.334 4.614 4.390 1.00 0.00 H new ATOM 679 N CYS A 48 6.898 1.646 -3.868 1.00 0.00 N ATOM 680 CA CYS A 48 6.847 0.794 -5.050 1.00 0.00 C ATOM 681 C CYS A 48 5.643 1.144 -5.920 1.00 0.00 C ATOM 682 O CYS A 48 5.549 0.714 -7.070 1.00 0.00 O ATOM 683 CB CYS A 48 6.784 -0.679 -4.641 1.00 0.00 C ATOM 684 SG CYS A 48 5.437 -1.071 -3.479 1.00 0.00 S ATOM 0 H CYS A 48 6.211 1.413 -3.151 1.00 0.00 H new ATOM 0 HA CYS A 48 7.754 0.964 -5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.666 -1.289 -5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.734 -0.960 -4.187 1.00 0.00 H new ATOM 689 N SER A 49 4.725 1.927 -5.363 1.00 0.00 N ATOM 690 CA SER A 49 3.525 2.332 -6.087 1.00 0.00 C ATOM 691 C SER A 49 2.535 1.175 -6.187 1.00 0.00 C ATOM 692 O SER A 49 1.921 0.957 -7.232 1.00 0.00 O ATOM 693 CB SER A 49 3.891 2.827 -7.487 1.00 0.00 C ATOM 694 OG SER A 49 2.832 3.579 -8.055 1.00 0.00 O ATOM 0 H SER A 49 4.789 2.294 -4.413 1.00 0.00 H new ATOM 0 HA SER A 49 3.054 3.144 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.790 3.441 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.122 1.976 -8.128 1.00 0.00 H new ATOM 0 HG SER A 49 2.023 3.028 -8.092 1.00 0.00 H new ATOM 700 N LEU A 50 2.385 0.437 -5.093 1.00 0.00 N ATOM 701 CA LEU A 50 1.469 -0.698 -5.056 1.00 0.00 C ATOM 702 C LEU A 50 0.019 -0.227 -5.014 1.00 0.00 C ATOM 703 O LEU A 50 -0.257 0.971 -5.081 1.00 0.00 O ATOM 704 CB LEU A 50 1.767 -1.579 -3.841 1.00 0.00 C ATOM 705 CG LEU A 50 2.687 -2.775 -4.088 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.156 -3.369 -2.769 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.978 -3.828 -4.927 1.00 0.00 C ATOM 0 H LEU A 50 2.885 0.604 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 50 1.615 -1.281 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.214 -0.956 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.821 -1.949 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 50 3.562 -2.429 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.810 -4.219 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.702 -2.614 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.293 -3.700 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.647 -4.672 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.086 -4.170 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.693 -3.397 -5.887 1.00 0.00 H new ATOM 719 N ARG A 51 -0.903 -1.177 -4.900 1.00 0.00 N ATOM 720 CA ARG A 51 -2.325 -0.860 -4.848 1.00 0.00 C ATOM 721 C ARG A 51 -3.085 -1.901 -4.032 1.00 0.00 C ATOM 722 O ARG A 51 -3.316 -3.019 -4.494 1.00 0.00 O ATOM 723 CB ARG A 51 -2.904 -0.781 -6.261 1.00 0.00 C ATOM 724 CG ARG A 51 -2.366 0.384 -7.076 1.00 0.00 C ATOM 725 CD ARG A 51 -2.930 0.384 -8.488 1.00 0.00 C ATOM 726 NE ARG A 51 -2.309 -0.638 -9.326 1.00 0.00 N ATOM 727 CZ ARG A 51 -2.745 -1.891 -9.401 1.00 0.00 C ATOM 728 NH1 ARG A 51 -3.799 -2.273 -8.693 1.00 0.00 N ATOM 729 NH2 ARG A 51 -2.127 -2.763 -10.186 1.00 0.00 N ATOM 0 H ARG A 51 -0.691 -2.173 -4.842 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.438 0.109 -4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.687 -1.711 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.989 -0.697 -6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.619 1.322 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.278 0.329 -7.118 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.006 0.215 -8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.777 1.364 -8.939 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.496 -0.376 -9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.277 -1.604 -8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.132 -3.235 -8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.316 -2.472 -10.733 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.462 -3.725 -10.243 1.00 0.00 H new ATOM 743 N PHE A 52 -3.472 -1.527 -2.817 1.00 0.00 N ATOM 744 CA PHE A 52 -4.204 -2.430 -1.936 1.00 0.00 C ATOM 745 C PHE A 52 -5.665 -2.003 -1.814 1.00 0.00 C ATOM 746 O PHE A 52 -5.985 -0.817 -1.889 1.00 0.00 O ATOM 747 CB PHE A 52 -3.554 -2.465 -0.552 1.00 0.00 C ATOM 748 CG PHE A 52 -2.160 -3.024 -0.558 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.078 -2.218 -0.875 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.932 -4.354 -0.247 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.205 -2.730 -0.882 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.650 -4.872 -0.253 1.00 0.00 C ATOM 753 CZ PHE A 52 0.420 -4.058 -0.569 1.00 0.00 C ATOM 0 H PHE A 52 -3.291 -0.605 -2.420 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.170 -3.429 -2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.530 -1.454 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.174 -3.063 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.240 -1.178 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.765 -4.994 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.040 -2.092 -1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.486 -5.912 -0.011 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.423 -4.459 -0.571 1.00 0.00 H new ATOM 763 N PHE A 53 -6.546 -2.980 -1.627 1.00 0.00 N ATOM 764 CA PHE A 53 -7.973 -2.708 -1.496 1.00 0.00 C ATOM 765 C PHE A 53 -8.234 -1.699 -0.381 1.00 0.00 C ATOM 766 O PHE A 53 -9.101 -0.834 -0.503 1.00 0.00 O ATOM 767 CB PHE A 53 -8.737 -4.003 -1.217 1.00 0.00 C ATOM 768 CG PHE A 53 -10.025 -3.790 -0.473 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.928 -2.825 -0.887 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.332 -4.556 0.640 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.114 -2.627 -0.205 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.517 -4.363 1.325 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.408 -3.396 0.903 1.00 0.00 C ATOM 0 H PHE A 53 -6.297 -3.967 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.324 -2.283 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.951 -4.500 -2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.100 -4.674 -0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.703 -2.220 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.638 -5.312 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.810 -1.871 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.746 -4.968 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.333 -3.242 1.439 1.00 0.00 H new ATOM 783 N SER A 54 -7.477 -1.818 0.705 1.00 0.00 N ATOM 784 CA SER A 54 -7.629 -0.920 1.844 1.00 0.00 C ATOM 785 C SER A 54 -6.319 -0.197 2.144 1.00 0.00 C ATOM 786 O SER A 54 -5.233 -0.654 1.789 1.00 0.00 O ATOM 787 CB SER A 54 -8.089 -1.700 3.077 1.00 0.00 C ATOM 788 OG SER A 54 -9.502 -1.783 3.131 1.00 0.00 O ATOM 0 H SER A 54 -6.753 -2.527 0.820 1.00 0.00 H new ATOM 0 HA SER A 54 -8.384 -0.176 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.663 -2.703 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.716 -1.214 3.978 1.00 0.00 H new ATOM 0 HG SER A 54 -9.770 -2.288 3.927 1.00 0.00 H new ATOM 794 N PRO A 55 -6.423 0.960 2.815 1.00 0.00 N ATOM 795 CA PRO A 55 -5.258 1.771 3.179 1.00 0.00 C ATOM 796 C PRO A 55 -4.405 1.111 4.256 1.00 0.00 C ATOM 797 O PRO A 55 -3.223 1.421 4.401 1.00 0.00 O ATOM 798 CB PRO A 55 -5.879 3.067 3.708 1.00 0.00 C ATOM 799 CG PRO A 55 -7.234 2.670 4.183 1.00 0.00 C ATOM 800 CD PRO A 55 -7.686 1.565 3.269 1.00 0.00 C ATOM 0 HA PRO A 55 -4.585 1.918 2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.284 3.490 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.939 3.825 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.201 2.331 5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.923 3.514 4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.313 0.842 3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.271 1.949 2.433 1.00 0.00 H new ATOM 808 N GLU A 56 -5.013 0.199 5.009 1.00 0.00 N ATOM 809 CA GLU A 56 -4.307 -0.505 6.073 1.00 0.00 C ATOM 810 C GLU A 56 -3.306 -1.502 5.496 1.00 0.00 C ATOM 811 O GLU A 56 -2.165 -1.588 5.952 1.00 0.00 O ATOM 812 CB GLU A 56 -5.302 -1.232 6.981 1.00 0.00 C ATOM 813 CG GLU A 56 -5.801 -0.384 8.139 1.00 0.00 C ATOM 814 CD GLU A 56 -7.063 -0.941 8.769 1.00 0.00 C ATOM 815 OE1 GLU A 56 -7.061 -2.130 9.150 1.00 0.00 O ATOM 816 OE2 GLU A 56 -8.052 -0.187 8.880 1.00 0.00 O ATOM 0 H GLU A 56 -5.991 -0.069 4.902 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.761 0.232 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.155 -1.556 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.830 -2.131 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.021 -0.316 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.992 0.629 7.786 1.00 0.00 H new ATOM 823 N LEU A 57 -3.742 -2.255 4.492 1.00 0.00 N ATOM 824 CA LEU A 57 -2.885 -3.247 3.852 1.00 0.00 C ATOM 825 C LEU A 57 -1.599 -2.607 3.341 1.00 0.00 C ATOM 826 O LEU A 57 -0.550 -3.250 3.291 1.00 0.00 O ATOM 827 CB LEU A 57 -3.627 -3.920 2.696 1.00 0.00 C ATOM 828 CG LEU A 57 -4.591 -5.044 3.081 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.452 -5.440 1.892 1.00 0.00 C ATOM 830 CD2 LEU A 57 -3.823 -6.247 3.610 1.00 0.00 C ATOM 0 H LEU A 57 -4.683 -2.198 4.104 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.624 -4.000 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.188 -3.156 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.889 -4.323 2.002 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.246 -4.679 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.131 -6.241 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.030 -4.578 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.813 -5.786 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.524 -7.037 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.143 -6.612 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.251 -5.955 4.490 1.00 0.00 H new ATOM 842 N LYS A 58 -1.685 -1.336 2.964 1.00 0.00 N ATOM 843 CA LYS A 58 -0.528 -0.606 2.460 1.00 0.00 C ATOM 844 C LYS A 58 0.395 -0.193 3.602 1.00 0.00 C ATOM 845 O LYS A 58 1.617 -0.280 3.486 1.00 0.00 O ATOM 846 CB LYS A 58 -0.979 0.632 1.682 1.00 0.00 C ATOM 847 CG LYS A 58 0.018 1.777 1.729 1.00 0.00 C ATOM 848 CD LYS A 58 -0.231 2.686 2.920 1.00 0.00 C ATOM 849 CE LYS A 58 0.055 4.141 2.581 1.00 0.00 C ATOM 850 NZ LYS A 58 0.469 4.919 3.782 1.00 0.00 N ATOM 0 H LYS A 58 -2.545 -0.789 2.998 1.00 0.00 H new ATOM 0 HA LYS A 58 0.023 -1.267 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.152 0.354 0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.933 0.975 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.031 1.377 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.049 2.356 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.266 2.584 3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.398 2.375 3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.841 4.191 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.835 4.594 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.816 5.854 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.346 5.037 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.226 4.410 4.281 1.00 0.00 H new ATOM 864 N GLN A 59 -0.199 0.254 4.704 1.00 0.00 N ATOM 865 CA GLN A 59 0.571 0.679 5.867 1.00 0.00 C ATOM 866 C GLN A 59 1.464 -0.450 6.371 1.00 0.00 C ATOM 867 O GLN A 59 2.667 -0.267 6.555 1.00 0.00 O ATOM 868 CB GLN A 59 -0.366 1.141 6.985 1.00 0.00 C ATOM 869 CG GLN A 59 -1.098 2.435 6.668 1.00 0.00 C ATOM 870 CD GLN A 59 -1.781 3.031 7.883 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.425 4.119 8.338 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.768 2.321 8.416 1.00 0.00 N ATOM 0 H GLN A 59 -1.210 0.331 4.816 1.00 0.00 H new ATOM 0 HA GLN A 59 1.205 1.513 5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.098 0.358 7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.211 1.274 7.900 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.391 3.158 6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.842 2.247 5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.030 1.424 8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.264 2.672 9.235 1.00 0.00 H new ATOM 881 N GLU A 60 0.867 -1.617 6.592 1.00 0.00 N ATOM 882 CA GLU A 60 1.610 -2.775 7.076 1.00 0.00 C ATOM 883 C GLU A 60 2.734 -3.141 6.112 1.00 0.00 C ATOM 884 O GLU A 60 3.828 -3.520 6.532 1.00 0.00 O ATOM 885 CB GLU A 60 0.671 -3.969 7.260 1.00 0.00 C ATOM 886 CG GLU A 60 -0.131 -4.310 6.016 1.00 0.00 C ATOM 887 CD GLU A 60 0.570 -5.320 5.128 1.00 0.00 C ATOM 888 OE1 GLU A 60 1.499 -5.996 5.616 1.00 0.00 O ATOM 889 OE2 GLU A 60 0.189 -5.433 3.944 1.00 0.00 O ATOM 0 H GLU A 60 -0.128 -1.786 6.444 1.00 0.00 H new ATOM 0 HA GLU A 60 2.051 -2.517 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.257 -4.840 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.017 -3.757 8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.103 -4.705 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.317 -3.399 5.447 1.00 0.00 H new ATOM 896 N HIS A 61 2.457 -3.027 4.817 1.00 0.00 N ATOM 897 CA HIS A 61 3.445 -3.346 3.793 1.00 0.00 C ATOM 898 C HIS A 61 4.599 -2.348 3.821 1.00 0.00 C ATOM 899 O HIS A 61 5.758 -2.730 3.976 1.00 0.00 O ATOM 900 CB HIS A 61 2.793 -3.350 2.410 1.00 0.00 C ATOM 901 CG HIS A 61 3.769 -3.175 1.287 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.537 -4.206 0.789 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.098 -2.080 0.563 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.298 -3.753 -0.191 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.050 -2.465 -0.348 1.00 0.00 N ATOM 0 H HIS A 61 1.557 -2.716 4.452 1.00 0.00 H new ATOM 0 HA HIS A 61 3.842 -4.339 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.258 -4.290 2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.052 -2.552 2.364 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.520 -5.169 1.125 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.688 -1.088 0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.003 -4.336 -0.766 1.00 0.00 H new ATOM 913 N GLU A 62 4.272 -1.068 3.670 1.00 0.00 N ATOM 914 CA GLU A 62 5.282 -0.016 3.677 1.00 0.00 C ATOM 915 C GLU A 62 6.393 -0.336 4.672 1.00 0.00 C ATOM 916 O GLU A 62 7.575 -0.320 4.326 1.00 0.00 O ATOM 917 CB GLU A 62 4.645 1.331 4.022 1.00 0.00 C ATOM 918 CG GLU A 62 4.189 2.119 2.805 1.00 0.00 C ATOM 919 CD GLU A 62 3.157 3.176 3.147 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.520 3.058 4.215 1.00 0.00 O ATOM 921 OE2 GLU A 62 2.987 4.120 2.348 1.00 0.00 O ATOM 0 H GLU A 62 3.317 -0.735 3.541 1.00 0.00 H new ATOM 0 HA GLU A 62 5.717 0.042 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.790 1.162 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.362 1.929 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.052 2.596 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.771 1.433 2.069 1.00 0.00 H new ATOM 928 N SER A 63 6.006 -0.625 5.910 1.00 0.00 N ATOM 929 CA SER A 63 6.968 -0.944 6.958 1.00 0.00 C ATOM 930 C SER A 63 7.934 -2.032 6.496 1.00 0.00 C ATOM 931 O SER A 63 9.143 -1.934 6.703 1.00 0.00 O ATOM 932 CB SER A 63 6.242 -1.396 8.227 1.00 0.00 C ATOM 933 OG SER A 63 7.161 -1.846 9.207 1.00 0.00 O ATOM 0 H SER A 63 5.032 -0.645 6.212 1.00 0.00 H new ATOM 0 HA SER A 63 7.541 -0.043 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.654 -0.570 8.627 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.543 -2.197 7.984 1.00 0.00 H new ATOM 0 HG SER A 63 6.673 -2.128 10.009 1.00 0.00 H new ATOM 939 N LYS A 64 7.390 -3.069 5.868 1.00 0.00 N ATOM 940 CA LYS A 64 8.200 -4.176 5.375 1.00 0.00 C ATOM 941 C LYS A 64 8.330 -4.120 3.856 1.00 0.00 C ATOM 942 O LYS A 64 8.549 -5.142 3.203 1.00 0.00 O ATOM 943 CB LYS A 64 7.586 -5.512 5.796 1.00 0.00 C ATOM 944 CG LYS A 64 6.171 -5.720 5.286 1.00 0.00 C ATOM 945 CD LYS A 64 5.344 -6.547 6.255 1.00 0.00 C ATOM 946 CE LYS A 64 5.542 -8.038 6.025 1.00 0.00 C ATOM 947 NZ LYS A 64 4.721 -8.857 6.959 1.00 0.00 N ATOM 0 H LYS A 64 6.391 -3.166 5.688 1.00 0.00 H new ATOM 0 HA LYS A 64 9.195 -4.088 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.217 -6.323 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.584 -5.574 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.693 -4.753 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.202 -6.218 4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.622 -6.296 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.289 -6.297 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.278 -8.285 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.595 -8.288 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.884 -9.867 6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.991 -8.640 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.714 -8.637 6.820 1.00 0.00 H new ATOM 961 N CYS A 65 8.194 -2.922 3.298 1.00 0.00 N ATOM 962 CA CYS A 65 8.297 -2.732 1.856 1.00 0.00 C ATOM 963 C CYS A 65 9.754 -2.772 1.405 1.00 0.00 C ATOM 964 O CYS A 65 10.542 -1.889 1.740 1.00 0.00 O ATOM 965 CB CYS A 65 7.661 -1.402 1.449 1.00 0.00 C ATOM 966 SG CYS A 65 7.884 -0.978 -0.309 1.00 0.00 S ATOM 0 H CYS A 65 8.012 -2.067 3.823 1.00 0.00 H new ATOM 0 HA CYS A 65 7.762 -3.547 1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.594 -1.439 1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.086 -0.606 2.060 1.00 0.00 H new ATOM 971 N GLU A 66 10.103 -3.804 0.642 1.00 0.00 N ATOM 972 CA GLU A 66 11.465 -3.959 0.146 1.00 0.00 C ATOM 973 C GLU A 66 12.002 -2.636 -0.393 1.00 0.00 C ATOM 974 O GLU A 66 13.177 -2.313 -0.218 1.00 0.00 O ATOM 975 CB GLU A 66 11.514 -5.026 -0.950 1.00 0.00 C ATOM 976 CG GLU A 66 10.765 -4.635 -2.213 1.00 0.00 C ATOM 977 CD GLU A 66 11.655 -3.943 -3.228 1.00 0.00 C ATOM 978 OE1 GLU A 66 12.559 -3.190 -2.808 1.00 0.00 O ATOM 979 OE2 GLU A 66 11.447 -4.153 -4.441 1.00 0.00 O ATOM 0 H GLU A 66 9.462 -4.544 0.355 1.00 0.00 H new ATOM 0 HA GLU A 66 12.094 -4.274 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.555 -5.228 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.094 -5.954 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.331 -5.527 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.938 -3.975 -1.951 1.00 0.00 H new ATOM 986 N TYR A 67 11.133 -1.875 -1.049 1.00 0.00 N ATOM 987 CA TYR A 67 11.518 -0.589 -1.617 1.00 0.00 C ATOM 988 C TYR A 67 11.791 0.432 -0.517 1.00 0.00 C ATOM 989 O TYR A 67 12.687 1.268 -0.636 1.00 0.00 O ATOM 990 CB TYR A 67 10.423 -0.070 -2.550 1.00 0.00 C ATOM 991 CG TYR A 67 10.612 -0.481 -3.993 1.00 0.00 C ATOM 992 CD1 TYR A 67 10.151 -1.709 -4.452 1.00 0.00 C ATOM 993 CD2 TYR A 67 11.250 0.359 -4.897 1.00 0.00 C ATOM 994 CE1 TYR A 67 10.322 -2.088 -5.769 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.424 -0.012 -6.216 1.00 0.00 C ATOM 996 CZ TYR A 67 10.959 -1.236 -6.647 1.00 0.00 C ATOM 997 OH TYR A 67 11.130 -1.610 -7.961 1.00 0.00 O ATOM 0 H TYR A 67 10.156 -2.127 -1.201 1.00 0.00 H new ATOM 0 HA TYR A 67 12.434 -0.734 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.457 -0.434 -2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.393 1.018 -2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.651 -2.378 -3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.616 1.318 -4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.959 -3.046 -6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.922 0.653 -6.906 1.00 0.00 H new ATOM 0 HH TYR A 67 11.596 -0.897 -8.446 1.00 0.00 H new ATOM 1007 N LYS A 68 11.011 0.358 0.557 1.00 0.00 N ATOM 1008 CA LYS A 68 11.167 1.273 1.681 1.00 0.00 C ATOM 1009 C LYS A 68 12.637 1.609 1.909 1.00 0.00 C ATOM 1010 O LYS A 68 12.997 2.772 2.094 1.00 0.00 O ATOM 1011 CB LYS A 68 10.570 0.660 2.950 1.00 0.00 C ATOM 1012 CG LYS A 68 10.797 1.499 4.196 1.00 0.00 C ATOM 1013 CD LYS A 68 9.727 2.568 4.349 1.00 0.00 C ATOM 1014 CE LYS A 68 10.215 3.725 5.208 1.00 0.00 C ATOM 1015 NZ LYS A 68 10.161 3.399 6.660 1.00 0.00 N ATOM 0 H LYS A 68 10.264 -0.327 0.672 1.00 0.00 H new ATOM 0 HA LYS A 68 10.635 2.194 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.499 0.520 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.003 -0.329 3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.797 0.854 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.779 1.970 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.439 2.940 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.835 2.130 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.238 3.977 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.605 4.606 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.502 4.212 7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.180 3.183 6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.763 2.573 6.853 1.00 0.00 H new ATOM 1029 N LYS A 69 13.483 0.585 1.893 1.00 0.00 N ATOM 1030 CA LYS A 69 14.915 0.772 2.095 1.00 0.00 C ATOM 1031 C LYS A 69 15.533 1.539 0.931 1.00 0.00 C ATOM 1032 O LYS A 69 16.134 2.597 1.120 1.00 0.00 O ATOM 1033 CB LYS A 69 15.609 -0.583 2.254 1.00 0.00 C ATOM 1034 CG LYS A 69 14.989 -1.462 3.325 1.00 0.00 C ATOM 1035 CD LYS A 69 15.434 -2.908 3.186 1.00 0.00 C ATOM 1036 CE LYS A 69 14.743 -3.594 2.017 1.00 0.00 C ATOM 1037 NZ LYS A 69 15.354 -4.917 1.710 1.00 0.00 N ATOM 0 H LYS A 69 13.202 -0.384 1.742 1.00 0.00 H new ATOM 0 HA LYS A 69 15.056 1.354 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.580 -1.111 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.659 -0.418 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.267 -1.088 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.902 -1.407 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.514 -2.945 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.214 -3.448 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.686 -3.727 2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.799 -2.955 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.855 -5.352 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.357 -4.788 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.278 -5.536 2.542 1.00 0.00 H new ATOM 1051 N LEU A 70 15.381 0.999 -0.274 1.00 0.00 N ATOM 1052 CA LEU A 70 15.924 1.634 -1.470 1.00 0.00 C ATOM 1053 C LEU A 70 15.418 3.067 -1.604 1.00 0.00 C ATOM 1054 O LEU A 70 16.001 3.879 -2.323 1.00 0.00 O ATOM 1055 CB LEU A 70 15.545 0.829 -2.715 1.00 0.00 C ATOM 1056 CG LEU A 70 15.823 -0.673 -2.653 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.212 -1.379 -3.854 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.320 -0.936 -2.581 1.00 0.00 C ATOM 0 H LEU A 70 14.887 0.124 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 70 17.010 1.659 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.482 0.974 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.082 1.243 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 70 15.361 -1.072 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.420 -2.447 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.134 -1.219 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.644 -0.977 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.499 -2.010 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.805 -0.523 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.730 -0.463 -1.688 1.00 0.00 H new ATOM 1070 N THR A 71 14.329 3.372 -0.904 1.00 0.00 N ATOM 1071 CA THR A 71 13.745 4.707 -0.943 1.00 0.00 C ATOM 1072 C THR A 71 14.437 5.639 0.045 1.00 0.00 C ATOM 1073 O THR A 71 14.171 5.595 1.246 1.00 0.00 O ATOM 1074 CB THR A 71 12.238 4.670 -0.627 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.588 3.697 -1.453 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.605 6.035 -0.849 1.00 0.00 C ATOM 0 H THR A 71 13.834 2.712 -0.304 1.00 0.00 H new ATOM 0 HA THR A 71 13.887 5.085 -1.955 1.00 0.00 H new ATOM 0 HB THR A 71 12.116 4.396 0.421 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.945 2.807 -1.252 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.541 5.984 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.082 6.768 -0.198 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.738 6.333 -1.889 1.00 0.00 H new ATOM 1084 N CYS A 72 15.325 6.483 -0.469 1.00 0.00 N ATOM 1085 CA CYS A 72 16.056 7.427 0.368 1.00 0.00 C ATOM 1086 C CYS A 72 15.120 8.493 0.931 1.00 0.00 C ATOM 1087 O CYS A 72 15.046 9.607 0.411 1.00 0.00 O ATOM 1088 CB CYS A 72 17.178 8.090 -0.434 1.00 0.00 C ATOM 1089 SG CYS A 72 18.336 9.069 0.576 1.00 0.00 S ATOM 0 H CYS A 72 15.556 6.533 -1.461 1.00 0.00 H new ATOM 0 HA CYS A 72 16.491 6.874 1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.737 7.318 -0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.735 8.738 -1.191 1.00 0.00 H new ATOM 1094 N LEU A 73 14.407 8.144 1.995 1.00 0.00 N ATOM 1095 CA LEU A 73 13.475 9.070 2.630 1.00 0.00 C ATOM 1096 C LEU A 73 14.076 10.469 2.722 1.00 0.00 C ATOM 1097 O LEU A 73 13.385 11.466 2.514 1.00 0.00 O ATOM 1098 CB LEU A 73 13.100 8.571 4.026 1.00 0.00 C ATOM 1099 CG LEU A 73 12.644 7.114 4.117 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.436 6.710 5.569 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.367 6.903 3.316 1.00 0.00 C ATOM 0 H LEU A 73 14.456 7.226 2.437 1.00 0.00 H new ATOM 0 HA LEU A 73 12.576 9.120 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.961 8.703 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.304 9.205 4.415 1.00 0.00 H new ATOM 0 HG LEU A 73 13.424 6.482 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.112 5.670 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.372 6.822 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.675 7.348 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.058 5.861 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.580 7.545 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.548 7.152 2.270 1.00 0.00 H new ATOM 1113 N GLU A 74 15.367 10.533 3.033 1.00 0.00 N ATOM 1114 CA GLU A 74 16.060 11.811 3.151 1.00 0.00 C ATOM 1115 C GLU A 74 15.649 12.759 2.029 1.00 0.00 C ATOM 1116 O GLU A 74 15.243 13.895 2.278 1.00 0.00 O ATOM 1117 CB GLU A 74 17.576 11.598 3.124 1.00 0.00 C ATOM 1118 CG GLU A 74 18.145 11.107 4.445 1.00 0.00 C ATOM 1119 CD GLU A 74 17.704 9.696 4.781 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.593 9.535 5.328 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.472 8.752 4.498 1.00 0.00 O ATOM 0 H GLU A 74 15.953 9.717 3.207 1.00 0.00 H new ATOM 0 HA GLU A 74 15.780 12.261 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.819 10.878 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.062 12.536 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 74 19.234 11.143 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 74 17.834 11.781 5.243 1.00 0.00 H new ATOM 1128 N CYS A 75 15.758 12.285 0.792 1.00 0.00 N ATOM 1129 CA CYS A 75 15.399 13.089 -0.370 1.00 0.00 C ATOM 1130 C CYS A 75 14.490 12.307 -1.313 1.00 0.00 C ATOM 1131 O CYS A 75 14.612 12.406 -2.533 1.00 0.00 O ATOM 1132 CB CYS A 75 16.658 13.539 -1.114 1.00 0.00 C ATOM 1133 SG CYS A 75 17.616 12.173 -1.846 1.00 0.00 S ATOM 0 H CYS A 75 16.092 11.348 0.569 1.00 0.00 H new ATOM 0 HA CYS A 75 14.859 13.968 -0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 75 16.372 14.233 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 75 17.298 14.089 -0.424 1.00 0.00 H new ATOM 1138 N MET A 76 13.578 11.529 -0.738 1.00 0.00 N ATOM 1139 CA MET A 76 12.647 10.731 -1.527 1.00 0.00 C ATOM 1140 C MET A 76 13.295 10.269 -2.828 1.00 0.00 C ATOM 1141 O MET A 76 12.767 10.509 -3.914 1.00 0.00 O ATOM 1142 CB MET A 76 11.382 11.535 -1.830 1.00 0.00 C ATOM 1143 CG MET A 76 10.364 11.515 -0.702 1.00 0.00 C ATOM 1144 SD MET A 76 9.263 10.089 -0.785 1.00 0.00 S ATOM 1145 CE MET A 76 10.229 8.865 0.096 1.00 0.00 C ATOM 0 H MET A 76 13.464 11.435 0.271 1.00 0.00 H new ATOM 0 HA MET A 76 12.377 9.851 -0.944 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.660 12.568 -2.039 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.918 11.140 -2.734 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.887 11.510 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.771 12.429 -0.736 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.626 7.971 0.254 1.00 0.00 H new ATOM 0 HE2 MET A 76 11.112 8.609 -0.489 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.537 9.270 1.060 1.00 0.00 H new ATOM 1155 N ARG A 77 14.441 9.606 -2.711 1.00 0.00 N ATOM 1156 CA ARG A 77 15.161 9.112 -3.879 1.00 0.00 C ATOM 1157 C ARG A 77 15.291 7.593 -3.835 1.00 0.00 C ATOM 1158 O ARG A 77 16.097 7.049 -3.080 1.00 0.00 O ATOM 1159 CB ARG A 77 16.548 9.752 -3.957 1.00 0.00 C ATOM 1160 CG ARG A 77 17.194 9.641 -5.329 1.00 0.00 C ATOM 1161 CD ARG A 77 18.171 10.779 -5.578 1.00 0.00 C ATOM 1162 NE ARG A 77 18.646 10.801 -6.959 1.00 0.00 N ATOM 1163 CZ ARG A 77 19.091 11.896 -7.565 1.00 0.00 C ATOM 1164 NH1 ARG A 77 19.124 13.051 -6.916 1.00 0.00 N ATOM 1165 NH2 ARG A 77 19.506 11.835 -8.824 1.00 0.00 N ATOM 0 H ARG A 77 14.891 9.399 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 77 14.592 9.385 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.469 10.805 -3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.198 9.281 -3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.716 8.688 -5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.421 9.648 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.688 11.728 -5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.022 10.680 -4.904 1.00 0.00 H new ATOM 0 HE ARG A 77 18.635 9.928 -7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.807 13.101 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.466 13.890 -7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.483 10.947 -9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.848 12.676 -9.290 1.00 0.00 H new ATOM 1179 N THR A 78 14.491 6.912 -4.650 1.00 0.00 N ATOM 1180 CA THR A 78 14.515 5.456 -4.704 1.00 0.00 C ATOM 1181 C THR A 78 15.549 4.959 -5.708 1.00 0.00 C ATOM 1182 O THR A 78 15.706 5.532 -6.787 1.00 0.00 O ATOM 1183 CB THR A 78 13.135 4.884 -5.081 1.00 0.00 C ATOM 1184 OG1 THR A 78 12.104 5.599 -4.390 1.00 0.00 O ATOM 1185 CG2 THR A 78 13.050 3.405 -4.739 1.00 0.00 C ATOM 0 H THR A 78 13.818 7.346 -5.282 1.00 0.00 H new ATOM 0 HA THR A 78 14.784 5.108 -3.707 1.00 0.00 H new ATOM 0 HB THR A 78 12.999 5.000 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.230 5.231 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.067 3.024 -5.014 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.817 2.860 -5.289 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.205 3.270 -3.669 1.00 0.00 H new ATOM 1193 N PHE A 79 16.252 3.891 -5.347 1.00 0.00 N ATOM 1194 CA PHE A 79 17.272 3.317 -6.217 1.00 0.00 C ATOM 1195 C PHE A 79 16.909 1.889 -6.613 1.00 0.00 C ATOM 1196 O PHE A 79 15.833 1.393 -6.277 1.00 0.00 O ATOM 1197 CB PHE A 79 18.634 3.335 -5.522 1.00 0.00 C ATOM 1198 CG PHE A 79 19.184 4.717 -5.316 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.534 5.620 -4.490 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.352 5.114 -5.948 1.00 0.00 C ATOM 1201 CE1 PHE A 79 19.037 6.893 -4.300 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.861 6.386 -5.761 1.00 0.00 C ATOM 1203 CZ PHE A 79 20.203 7.276 -4.935 1.00 0.00 C ATOM 0 H PHE A 79 16.134 3.405 -4.458 1.00 0.00 H new ATOM 0 HA PHE A 79 17.325 3.923 -7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.546 2.840 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.342 2.755 -6.114 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.624 5.325 -3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.871 4.421 -6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.519 7.588 -3.656 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.772 6.683 -6.260 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.599 8.270 -4.786 1.00 0.00 H new ATOM 1213 N LYS A 80 17.814 1.231 -7.329 1.00 0.00 N ATOM 1214 CA LYS A 80 17.592 -0.140 -7.771 1.00 0.00 C ATOM 1215 C LYS A 80 18.220 -1.134 -6.799 1.00 0.00 C ATOM 1216 O LYS A 80 17.628 -2.166 -6.483 1.00 0.00 O ATOM 1217 CB LYS A 80 18.172 -0.347 -9.172 1.00 0.00 C ATOM 1218 CG LYS A 80 17.346 0.295 -10.273 1.00 0.00 C ATOM 1219 CD LYS A 80 17.597 1.791 -10.359 1.00 0.00 C ATOM 1220 CE LYS A 80 18.991 2.093 -10.887 1.00 0.00 C ATOM 1221 NZ LYS A 80 19.196 3.552 -11.109 1.00 0.00 N ATOM 0 H LYS A 80 18.710 1.626 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 80 16.517 -0.315 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 80 19.182 0.061 -9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.255 -1.416 -9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.587 -0.171 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.287 0.113 -10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.853 2.249 -11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.476 2.239 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.735 1.725 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.149 1.557 -11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.158 3.717 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.503 3.898 -11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.071 4.061 -10.211 1.00 0.00 H new ATOM 1235 N SER A 81 19.420 -0.814 -6.326 1.00 0.00 N ATOM 1236 CA SER A 81 20.129 -1.680 -5.390 1.00 0.00 C ATOM 1237 C SER A 81 20.486 -0.925 -4.114 1.00 0.00 C ATOM 1238 O SER A 81 20.850 0.251 -4.157 1.00 0.00 O ATOM 1239 CB SER A 81 21.397 -2.238 -6.039 1.00 0.00 C ATOM 1240 OG SER A 81 22.096 -3.087 -5.146 1.00 0.00 O ATOM 0 H SER A 81 19.922 0.038 -6.575 1.00 0.00 H new ATOM 0 HA SER A 81 19.469 -2.507 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.134 -2.791 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 81 22.044 -1.416 -6.346 1.00 0.00 H new ATOM 0 HG SER A 81 22.901 -3.432 -5.585 1.00 0.00 H new ATOM 1246 N SER A 82 20.380 -1.608 -2.980 1.00 0.00 N ATOM 1247 CA SER A 82 20.688 -1.002 -1.690 1.00 0.00 C ATOM 1248 C SER A 82 22.122 -0.483 -1.662 1.00 0.00 C ATOM 1249 O SER A 82 22.387 0.620 -1.182 1.00 0.00 O ATOM 1250 CB SER A 82 20.478 -2.015 -0.563 1.00 0.00 C ATOM 1251 OG SER A 82 20.378 -1.367 0.693 1.00 0.00 O ATOM 0 H SER A 82 20.083 -2.582 -2.928 1.00 0.00 H new ATOM 0 HA SER A 82 20.012 -0.160 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.572 -2.591 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.307 -2.722 -0.546 1.00 0.00 H new ATOM 0 HG SER A 82 20.243 -2.036 1.396 1.00 0.00 H new ATOM 1257 N PHE A 83 23.045 -1.286 -2.180 1.00 0.00 N ATOM 1258 CA PHE A 83 24.454 -0.910 -2.215 1.00 0.00 C ATOM 1259 C PHE A 83 24.649 0.397 -2.978 1.00 0.00 C ATOM 1260 O PHE A 83 25.443 1.249 -2.578 1.00 0.00 O ATOM 1261 CB PHE A 83 25.284 -2.020 -2.862 1.00 0.00 C ATOM 1262 CG PHE A 83 26.708 -1.625 -3.130 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.673 -1.749 -2.142 1.00 0.00 C ATOM 1264 CD2 PHE A 83 27.083 -1.131 -4.369 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.983 -1.385 -2.385 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.393 -0.766 -4.618 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.344 -0.894 -3.625 1.00 0.00 C ATOM 0 H PHE A 83 22.843 -2.202 -2.582 1.00 0.00 H new ATOM 0 HA PHE A 83 24.791 -0.765 -1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.274 -2.895 -2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.814 -2.314 -3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.397 -2.135 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.343 -1.030 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.725 -1.484 -1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.672 -0.381 -5.588 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.368 -0.611 -3.817 1.00 0.00 H new ATOM 1277 N SER A 84 23.919 0.548 -4.078 1.00 0.00 N ATOM 1278 CA SER A 84 24.015 1.748 -4.900 1.00 0.00 C ATOM 1279 C SER A 84 23.622 2.987 -4.101 1.00 0.00 C ATOM 1280 O SER A 84 24.408 3.925 -3.962 1.00 0.00 O ATOM 1281 CB SER A 84 23.121 1.619 -6.135 1.00 0.00 C ATOM 1282 OG SER A 84 23.595 2.431 -7.195 1.00 0.00 O ATOM 0 H SER A 84 23.254 -0.146 -4.421 1.00 0.00 H new ATOM 0 HA SER A 84 25.051 1.857 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 84 23.088 0.578 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.101 1.906 -5.881 1.00 0.00 H new ATOM 0 HG SER A 84 23.008 2.329 -7.973 1.00 0.00 H new ATOM 1288 N ILE A 85 22.401 2.982 -3.577 1.00 0.00 N ATOM 1289 CA ILE A 85 21.903 4.104 -2.790 1.00 0.00 C ATOM 1290 C ILE A 85 22.832 4.410 -1.621 1.00 0.00 C ATOM 1291 O ILE A 85 23.000 5.567 -1.235 1.00 0.00 O ATOM 1292 CB ILE A 85 20.488 3.827 -2.248 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.995 5.015 -1.420 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.480 2.554 -1.415 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.517 4.959 -1.103 1.00 0.00 C ATOM 0 H ILE A 85 21.738 2.214 -3.683 1.00 0.00 H new ATOM 0 HA ILE A 85 21.866 4.966 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 85 19.811 3.690 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.557 5.055 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 85 20.208 5.937 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.473 2.372 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.795 1.713 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.166 2.664 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.238 5.833 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.946 4.950 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.301 4.054 -0.535 1.00 0.00 H new ATOM 1307 N TRP A 86 23.435 3.367 -1.062 1.00 0.00 N ATOM 1308 CA TRP A 86 24.349 3.525 0.063 1.00 0.00 C ATOM 1309 C TRP A 86 25.386 4.605 -0.226 1.00 0.00 C ATOM 1310 O TRP A 86 25.695 5.428 0.637 1.00 0.00 O ATOM 1311 CB TRP A 86 25.048 2.199 0.369 1.00 0.00 C ATOM 1312 CG TRP A 86 25.909 2.250 1.595 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.533 2.656 2.844 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.290 1.885 1.688 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.598 2.565 3.708 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.687 2.094 3.024 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.230 1.400 0.774 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.982 1.835 3.464 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.515 1.145 1.213 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.881 1.361 2.548 1.00 0.00 C ATOM 0 H TRP A 86 23.307 2.403 -1.369 1.00 0.00 H new ATOM 0 HA TRP A 86 23.766 3.830 0.932 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.296 1.420 0.494 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.662 1.914 -0.486 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.545 2.998 3.113 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.580 2.809 4.698 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.957 1.228 -0.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.267 2.002 4.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.250 0.773 0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.893 1.149 2.860 1.00 0.00 H new ATOM 1331 N ARG A 87 25.918 4.598 -1.443 1.00 0.00 N ATOM 1332 CA ARG A 87 26.921 5.577 -1.844 1.00 0.00 C ATOM 1333 C ARG A 87 26.320 6.979 -1.901 1.00 0.00 C ATOM 1334 O ARG A 87 26.987 7.965 -1.587 1.00 0.00 O ATOM 1335 CB ARG A 87 27.509 5.208 -3.207 1.00 0.00 C ATOM 1336 CG ARG A 87 28.224 3.866 -3.218 1.00 0.00 C ATOM 1337 CD ARG A 87 29.678 4.006 -2.798 1.00 0.00 C ATOM 1338 NE ARG A 87 30.455 4.780 -3.762 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.731 5.106 -3.586 1.00 0.00 C ATOM 1340 NH1 ARG A 87 32.370 4.727 -2.487 1.00 0.00 N ATOM 1341 NH2 ARG A 87 32.370 5.812 -4.509 1.00 0.00 N ATOM 0 H ARG A 87 25.671 3.925 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 87 27.716 5.571 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.708 5.190 -3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 87 28.208 5.986 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.715 3.176 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 87 28.173 3.433 -4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.728 4.488 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 87 30.120 3.016 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 87 29.993 5.087 -4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 87 31.882 4.184 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 87 33.350 4.978 -2.354 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.882 6.105 -5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 87 33.350 6.062 -4.373 1.00 0.00 H new ATOM 1355 N HIS A 88 25.056 7.059 -2.305 1.00 0.00 N ATOM 1356 CA HIS A 88 24.365 8.340 -2.403 1.00 0.00 C ATOM 1357 C HIS A 88 24.086 8.914 -1.018 1.00 0.00 C ATOM 1358 O HIS A 88 23.906 10.122 -0.861 1.00 0.00 O ATOM 1359 CB HIS A 88 23.054 8.178 -3.174 1.00 0.00 C ATOM 1360 CG HIS A 88 22.071 9.279 -2.922 1.00 0.00 C ATOM 1361 ND1 HIS A 88 22.079 10.469 -3.619 1.00 0.00 N ATOM 1362 CD2 HIS A 88 21.045 9.366 -2.044 1.00 0.00 C ATOM 1363 CE1 HIS A 88 21.100 11.240 -3.180 1.00 0.00 C ATOM 1364 NE2 HIS A 88 20.457 10.594 -2.224 1.00 0.00 N ATOM 0 H HIS A 88 24.490 6.253 -2.570 1.00 0.00 H new ATOM 0 HA HIS A 88 25.011 9.033 -2.941 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.273 8.134 -4.241 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.598 7.226 -2.903 1.00 0.00 H new ATOM 0 HD1 HIS A 88 22.738 10.715 -4.358 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.744 8.610 -1.334 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.865 12.230 -3.541 1.00 0.00 H new ATOM 1372 N GLN A 89 24.050 8.041 -0.016 1.00 0.00 N ATOM 1373 CA GLN A 89 23.792 8.462 1.355 1.00 0.00 C ATOM 1374 C GLN A 89 25.096 8.635 2.127 1.00 0.00 C ATOM 1375 O GLN A 89 25.134 9.306 3.158 1.00 0.00 O ATOM 1376 CB GLN A 89 22.897 7.443 2.064 1.00 0.00 C ATOM 1377 CG GLN A 89 21.498 7.349 1.477 1.00 0.00 C ATOM 1378 CD GLN A 89 20.523 6.648 2.402 1.00 0.00 C ATOM 1379 OE1 GLN A 89 20.859 6.312 3.538 1.00 0.00 O ATOM 1380 NE2 GLN A 89 19.307 6.422 1.919 1.00 0.00 N ATOM 0 H GLN A 89 24.196 7.038 -0.129 1.00 0.00 H new ATOM 0 HA GLN A 89 23.281 9.424 1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.369 6.462 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.822 7.709 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.131 8.352 1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.541 6.814 0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.071 6.718 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.608 5.953 2.495 1.00 0.00 H new ATOM 1389 N VAL A 90 26.163 8.026 1.620 1.00 0.00 N ATOM 1390 CA VAL A 90 27.469 8.113 2.261 1.00 0.00 C ATOM 1391 C VAL A 90 28.336 9.179 1.600 1.00 0.00 C ATOM 1392 O VAL A 90 29.223 9.751 2.232 1.00 0.00 O ATOM 1393 CB VAL A 90 28.210 6.763 2.213 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.607 6.899 2.798 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.416 5.694 2.949 1.00 0.00 C ATOM 0 H VAL A 90 26.148 7.467 0.767 1.00 0.00 H new ATOM 0 HA VAL A 90 27.292 8.385 3.302 1.00 0.00 H new ATOM 0 HB VAL A 90 28.307 6.458 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 90 30.115 5.935 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 90 30.172 7.633 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.537 7.227 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.954 4.747 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.286 5.990 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.439 5.579 2.480 1.00 0.00 H new ATOM 1405 N GLU A 91 28.070 9.442 0.324 1.00 0.00 N ATOM 1406 CA GLU A 91 28.827 10.440 -0.423 1.00 0.00 C ATOM 1407 C GLU A 91 28.169 11.813 -0.318 1.00 0.00 C ATOM 1408 O GLU A 91 28.842 12.822 -0.112 1.00 0.00 O ATOM 1409 CB GLU A 91 28.943 10.029 -1.892 1.00 0.00 C ATOM 1410 CG GLU A 91 29.774 8.776 -2.110 1.00 0.00 C ATOM 1411 CD GLU A 91 30.400 8.724 -3.491 1.00 0.00 C ATOM 1412 OE1 GLU A 91 29.686 8.374 -4.453 1.00 0.00 O ATOM 1413 OE2 GLU A 91 31.604 9.033 -3.607 1.00 0.00 O ATOM 0 H GLU A 91 27.337 8.979 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 91 29.825 10.501 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.943 9.866 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 91 29.385 10.850 -2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.560 8.731 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 91 29.145 7.898 -1.967 1.00 0.00 H new ATOM 1420 N VAL A 92 26.847 11.841 -0.461 1.00 0.00 N ATOM 1421 CA VAL A 92 26.097 13.089 -0.382 1.00 0.00 C ATOM 1422 C VAL A 92 25.712 13.408 1.058 1.00 0.00 C ATOM 1423 O VAL A 92 26.195 14.379 1.641 1.00 0.00 O ATOM 1424 CB VAL A 92 24.821 13.032 -1.242 1.00 0.00 C ATOM 1425 CG1 VAL A 92 24.124 14.384 -1.255 1.00 0.00 C ATOM 1426 CG2 VAL A 92 25.152 12.580 -2.657 1.00 0.00 C ATOM 0 H VAL A 92 26.274 11.014 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 92 26.749 13.875 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 92 24.140 12.304 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 92 23.225 14.324 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.852 14.663 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.796 15.136 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 92 24.239 12.545 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.852 13.282 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 92 25.602 11.588 -2.626 1.00 0.00 H new ATOM 1436 N HIS A 93 24.839 12.583 1.628 1.00 0.00 N ATOM 1437 CA HIS A 93 24.389 12.777 3.002 1.00 0.00 C ATOM 1438 C HIS A 93 25.498 12.432 3.991 1.00 0.00 C ATOM 1439 O HIS A 93 25.569 12.997 5.081 1.00 0.00 O ATOM 1440 CB HIS A 93 23.155 11.918 3.283 1.00 0.00 C ATOM 1441 CG HIS A 93 21.983 12.251 2.411 1.00 0.00 C ATOM 1442 ND1 HIS A 93 21.660 11.832 1.165 1.00 0.00 N flip ATOM 1443 CD2 HIS A 93 20.979 13.113 2.796 1.00 0.00 C flip ATOM 1444 CE1 HIS A 93 20.478 12.442 0.824 1.00 0.00 C flip ATOM 1445 NE2 HIS A 93 20.087 13.210 1.826 1.00 0.00 N flip ATOM 0 H HIS A 93 24.429 11.774 1.160 1.00 0.00 H new ATOM 0 HA HIS A 93 24.128 13.828 3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 93 23.414 10.868 3.145 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.867 12.040 4.327 1.00 0.00 H new ATOM 0 HD1 HIS A 93 22.195 11.184 0.587 1.00 0.00 H new ATOM 0 HD2 HIS A 93 20.929 13.629 3.743 1.00 0.00 H new ATOM 0 HE1 HIS A 93 19.953 12.315 -0.111 1.00 0.00 H new ATOM 1453 N ASN A 94 26.362 11.500 3.602 1.00 0.00 N ATOM 1454 CA ASN A 94 27.468 11.079 4.455 1.00 0.00 C ATOM 1455 C ASN A 94 26.955 10.573 5.800 1.00 0.00 C ATOM 1456 O ASN A 94 27.437 10.987 6.854 1.00 0.00 O ATOM 1457 CB ASN A 94 28.442 12.238 4.671 1.00 0.00 C ATOM 1458 CG ASN A 94 29.534 11.897 5.667 1.00 0.00 C ATOM 1459 OD1 ASN A 94 30.220 10.884 5.531 1.00 0.00 O ATOM 1460 ND2 ASN A 94 29.701 12.745 6.676 1.00 0.00 N ATOM 0 H ASN A 94 26.318 11.022 2.702 1.00 0.00 H new ATOM 0 HA ASN A 94 27.990 10.263 3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 94 28.895 12.511 3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 94 27.892 13.111 5.023 1.00 0.00 H new ATOM 0 HD21 ASN A 94 30.421 12.568 7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 94 29.110 13.573 6.750 1.00 0.00 H new ATOM 1467 N GLN A 95 25.976 9.675 5.754 1.00 0.00 N ATOM 1468 CA GLN A 95 25.398 9.113 6.968 1.00 0.00 C ATOM 1469 C GLN A 95 26.144 7.852 7.393 1.00 0.00 C ATOM 1470 O GLN A 95 26.768 7.815 8.452 1.00 0.00 O ATOM 1471 CB GLN A 95 23.917 8.796 6.755 1.00 0.00 C ATOM 1472 CG GLN A 95 22.997 9.973 7.037 1.00 0.00 C ATOM 1473 CD GLN A 95 22.844 10.252 8.519 1.00 0.00 C ATOM 1474 OE1 GLN A 95 23.771 11.024 9.074 1.00 0.00 O flip ATOM 1475 NE2 GLN A 95 21.903 9.780 9.158 1.00 0.00 N flip ATOM 0 H GLN A 95 25.567 9.321 4.889 1.00 0.00 H new ATOM 0 HA GLN A 95 25.493 9.854 7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.768 8.468 5.726 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.636 7.963 7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.389 10.862 6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.016 9.774 6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 95 21.213 9.192 8.691 1.00 0.00 H new ATOM 0 HE22 GLN A 95 21.813 9.978 10.155 1.00 0.00 H new ATOM 1484 N ASN A 96 26.073 6.819 6.559 1.00 0.00 N ATOM 1485 CA ASN A 96 26.741 5.556 6.848 1.00 0.00 C ATOM 1486 C ASN A 96 26.076 4.846 8.024 1.00 0.00 C ATOM 1487 O ASN A 96 26.751 4.288 8.887 1.00 0.00 O ATOM 1488 CB ASN A 96 28.221 5.795 7.153 1.00 0.00 C ATOM 1489 CG ASN A 96 29.014 4.504 7.220 1.00 0.00 C ATOM 1490 OD1 ASN A 96 29.552 4.147 8.268 1.00 0.00 O ATOM 1491 ND2 ASN A 96 29.089 3.798 6.098 1.00 0.00 N ATOM 0 H ASN A 96 25.559 6.832 5.678 1.00 0.00 H new ATOM 0 HA ASN A 96 26.657 4.920 5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 96 28.648 6.441 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 96 28.313 6.324 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 96 29.609 2.921 6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 96 28.627 4.133 5.253 1.00 0.00 H new ATOM 1498 N ASN A 97 24.747 4.871 8.048 1.00 0.00 N ATOM 1499 CA ASN A 97 23.990 4.230 9.118 1.00 0.00 C ATOM 1500 C ASN A 97 23.553 2.827 8.709 1.00 0.00 C ATOM 1501 O ASN A 97 23.852 1.849 9.392 1.00 0.00 O ATOM 1502 CB ASN A 97 22.766 5.073 9.480 1.00 0.00 C ATOM 1503 CG ASN A 97 23.073 6.111 10.543 1.00 0.00 C ATOM 1504 OD1 ASN A 97 24.202 6.208 11.024 1.00 0.00 O ATOM 1505 ND2 ASN A 97 22.066 6.893 10.914 1.00 0.00 N ATOM 0 H ASN A 97 24.172 5.328 7.340 1.00 0.00 H new ATOM 0 HA ASN A 97 24.638 4.149 9.991 1.00 0.00 H new ATOM 0 HB2 ASN A 97 22.394 5.572 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 97 21.969 4.419 9.834 1.00 0.00 H new ATOM 0 HD21 ASN A 97 22.212 7.610 11.625 1.00 0.00 H new ATOM 0 HD22 ASN A 97 21.146 6.777 10.488 1.00 0.00 H new ATOM 1512 N MET A 98 22.842 2.738 7.589 1.00 0.00 N ATOM 1513 CA MET A 98 22.364 1.454 7.088 1.00 0.00 C ATOM 1514 C MET A 98 23.166 1.016 5.866 1.00 0.00 C ATOM 1515 O MET A 98 23.215 1.721 4.859 1.00 0.00 O ATOM 1516 CB MET A 98 20.879 1.542 6.733 1.00 0.00 C ATOM 1517 CG MET A 98 19.965 1.573 7.948 1.00 0.00 C ATOM 1518 SD MET A 98 18.258 1.970 7.522 1.00 0.00 S ATOM 1519 CE MET A 98 18.351 3.752 7.376 1.00 0.00 C ATOM 0 H MET A 98 22.584 3.539 7.012 1.00 0.00 H new ATOM 0 HA MET A 98 22.498 0.712 7.875 1.00 0.00 H new ATOM 0 HB2 MET A 98 20.709 2.439 6.137 1.00 0.00 H new ATOM 0 HB3 MET A 98 20.612 0.689 6.109 1.00 0.00 H new ATOM 0 HG2 MET A 98 19.995 0.604 8.446 1.00 0.00 H new ATOM 0 HG3 MET A 98 20.338 2.309 8.660 1.00 0.00 H new ATOM 0 HE1 MET A 98 17.660 4.212 8.083 1.00 0.00 H new ATOM 0 HE2 MET A 98 19.366 4.082 7.595 1.00 0.00 H new ATOM 0 HE3 MET A 98 18.083 4.048 6.362 1.00 0.00 H new ATOM 1529 N ALA A 99 23.792 -0.153 5.963 1.00 0.00 N ATOM 1530 CA ALA A 99 24.589 -0.686 4.866 1.00 0.00 C ATOM 1531 C ALA A 99 24.137 -2.093 4.492 1.00 0.00 C ATOM 1532 O ALA A 99 23.423 -2.761 5.240 1.00 0.00 O ATOM 1533 CB ALA A 99 26.065 -0.684 5.236 1.00 0.00 C ATOM 0 H ALA A 99 23.762 -0.748 6.791 1.00 0.00 H new ATOM 0 HA ALA A 99 24.443 -0.043 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 99 26.648 -1.085 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 99 26.386 0.336 5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 99 26.219 -1.302 6.121 1.00 0.00 H new ATOM 1539 N PRO A 100 24.561 -2.556 3.306 1.00 0.00 N ATOM 1540 CA PRO A 100 24.211 -3.889 2.806 1.00 0.00 C ATOM 1541 C PRO A 100 24.894 -5.001 3.595 1.00 0.00 C ATOM 1542 O PRO A 100 25.868 -4.763 4.309 1.00 0.00 O ATOM 1543 CB PRO A 100 24.717 -3.870 1.361 1.00 0.00 C ATOM 1544 CG PRO A 100 25.811 -2.859 1.356 1.00 0.00 C ATOM 1545 CD PRO A 100 25.414 -1.814 2.363 1.00 0.00 C ATOM 0 HA PRO A 100 23.144 -4.091 2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 100 25.083 -4.851 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 100 23.922 -3.597 0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 100 26.765 -3.315 1.622 1.00 0.00 H new ATOM 0 HG3 PRO A 100 25.932 -2.420 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 100 26.284 -1.384 2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 100 24.874 -0.990 1.896 1.00 0.00 H new ATOM 1553 N THR A 101 24.376 -6.219 3.461 1.00 0.00 N ATOM 1554 CA THR A 101 24.935 -7.368 4.162 1.00 0.00 C ATOM 1555 C THR A 101 25.840 -8.183 3.245 1.00 0.00 C ATOM 1556 O THR A 101 26.642 -8.994 3.710 1.00 0.00 O ATOM 1557 CB THR A 101 23.826 -8.282 4.715 1.00 0.00 C ATOM 1558 OG1 THR A 101 24.406 -9.440 5.327 1.00 0.00 O ATOM 1559 CG2 THR A 101 22.875 -8.710 3.608 1.00 0.00 C ATOM 0 H THR A 101 23.570 -6.434 2.873 1.00 0.00 H new ATOM 0 HA THR A 101 25.521 -6.977 4.994 1.00 0.00 H new ATOM 0 HB THR A 101 23.261 -7.722 5.460 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.321 -9.560 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 101 22.100 -9.355 4.023 1.00 0.00 H new ATOM 0 HG22 THR A 101 22.413 -7.828 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 101 23.429 -9.254 2.843 1.00 0.00 H new ATOM 1567 N SER A 102 25.707 -7.963 1.941 1.00 0.00 N ATOM 1568 CA SER A 102 26.512 -8.681 0.959 1.00 0.00 C ATOM 1569 C SER A 102 27.221 -7.707 0.022 1.00 0.00 C ATOM 1570 O SER A 102 26.996 -6.499 0.078 1.00 0.00 O ATOM 1571 CB SER A 102 25.633 -9.637 0.150 1.00 0.00 C ATOM 1572 OG SER A 102 25.454 -10.866 0.832 1.00 0.00 O ATOM 0 H SER A 102 25.050 -7.294 1.540 1.00 0.00 H new ATOM 0 HA SER A 102 27.267 -9.257 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 102 24.663 -9.176 -0.035 1.00 0.00 H new ATOM 0 HB3 SER A 102 26.089 -9.820 -0.823 1.00 0.00 H new ATOM 0 HG SER A 102 24.887 -11.459 0.295 1.00 0.00 H new ATOM 1578 N GLY A 103 28.079 -8.244 -0.841 1.00 0.00 N ATOM 1579 CA GLY A 103 28.808 -7.410 -1.778 1.00 0.00 C ATOM 1580 C GLY A 103 28.607 -7.842 -3.217 1.00 0.00 C ATOM 1581 O GLY A 103 27.562 -8.378 -3.586 1.00 0.00 O ATOM 0 H GLY A 103 28.282 -9.241 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 103 28.486 -6.375 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 103 29.871 -7.442 -1.537 1.00 0.00 H new ATOM 1585 N PRO A 104 29.626 -7.608 -4.057 1.00 0.00 N ATOM 1586 CA PRO A 104 29.580 -7.968 -5.477 1.00 0.00 C ATOM 1587 C PRO A 104 29.620 -9.477 -5.694 1.00 0.00 C ATOM 1588 O PRO A 104 30.579 -10.144 -5.305 1.00 0.00 O ATOM 1589 CB PRO A 104 30.838 -7.311 -6.050 1.00 0.00 C ATOM 1590 CG PRO A 104 31.769 -7.200 -4.892 1.00 0.00 C ATOM 1591 CD PRO A 104 30.902 -6.973 -3.685 1.00 0.00 C ATOM 0 HA PRO A 104 28.656 -7.638 -5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 104 31.270 -7.913 -6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 104 30.615 -6.332 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 104 32.363 -8.107 -4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 104 32.468 -6.376 -5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 104 31.331 -7.426 -2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 104 30.776 -5.911 -3.475 1.00 0.00 H new ATOM 1599 N SER A 105 28.574 -10.008 -6.318 1.00 0.00 N ATOM 1600 CA SER A 105 28.488 -11.440 -6.583 1.00 0.00 C ATOM 1601 C SER A 105 28.490 -11.715 -8.084 1.00 0.00 C ATOM 1602 O SER A 105 29.374 -12.399 -8.600 1.00 0.00 O ATOM 1603 CB SER A 105 27.225 -12.023 -5.948 1.00 0.00 C ATOM 1604 OG SER A 105 27.274 -13.439 -5.924 1.00 0.00 O ATOM 0 H SER A 105 27.774 -9.469 -6.650 1.00 0.00 H new ATOM 0 HA SER A 105 29.362 -11.919 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 105 27.116 -11.642 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 105 26.349 -11.696 -6.507 1.00 0.00 H new ATOM 0 HG SER A 105 26.456 -13.788 -5.512 1.00 0.00 H new ATOM 1610 N SER A 106 27.493 -11.176 -8.779 1.00 0.00 N ATOM 1611 CA SER A 106 27.376 -11.366 -10.220 1.00 0.00 C ATOM 1612 C SER A 106 28.600 -10.811 -10.942 1.00 0.00 C ATOM 1613 O SER A 106 29.288 -9.928 -10.433 1.00 0.00 O ATOM 1614 CB SER A 106 26.109 -10.687 -10.744 1.00 0.00 C ATOM 1615 OG SER A 106 24.988 -11.546 -10.636 1.00 0.00 O ATOM 0 H SER A 106 26.755 -10.605 -8.368 1.00 0.00 H new ATOM 0 HA SER A 106 27.314 -12.436 -10.417 1.00 0.00 H new ATOM 0 HB2 SER A 106 25.925 -9.771 -10.182 1.00 0.00 H new ATOM 0 HB3 SER A 106 26.251 -10.399 -11.786 1.00 0.00 H new ATOM 0 HG SER A 106 24.191 -11.088 -10.976 1.00 0.00 H new ATOM 1621 N GLY A 107 28.865 -11.337 -12.134 1.00 0.00 N ATOM 1622 CA GLY A 107 30.006 -10.884 -12.908 1.00 0.00 C ATOM 1623 C GLY A 107 29.919 -11.294 -14.365 1.00 0.00 C ATOM 1624 O GLY A 107 30.466 -12.334 -14.728 1.00 0.00 O ATOM 0 H GLY A 107 28.310 -12.069 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 107 30.077 -9.798 -12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 107 30.920 -11.290 -12.474 1.00 0.00 H new TER 1628 GLY A 107 HETATM 1629 ZN ZN A 301 -11.825 -3.881 -5.600 1.00 0.00 ZN HETATM 1630 ZN ZN A 501 5.833 -0.474 -1.268 1.00 0.00 ZN HETATM 1631 ZN ZN A 701 19.041 11.066 -0.381 1.00 0.00 ZN