USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -166:sc= 0.174 (180deg=-0.674!) USER MOD Single : A 3 MET CE :methyl 164:sc= -0.049 (180deg=-0.391) USER MOD Single : A 6 CYS SG : rot 180:sc= 0.489 USER MOD Single : A 8 THR OG1 : rot -96:sc= 0.454 USER MOD Single : A 10 THR OG1 : rot 102:sc= 1.26 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00982) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.493 F(o=-1.7,f=-0.49) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -105:sc= -0.275 (180deg=-0.479) USER MOD Single : A 31 SER OG : rot 180:sc= -0.129 USER MOD Single : A 32 THR OG1 : rot 92:sc= 0.767 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0.975) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= -0.0254 (180deg=-0.157) USER MOD Single : A 71 HIS : no HD1:sc= 0.355 K(o=0.36,f=-5.3!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.489 3.563 -23.355 1.00 0.00 N ATOM 2 CA GLU A 1 1.849 4.509 -22.450 1.00 0.00 C ATOM 3 C GLU A 1 2.763 4.762 -21.283 1.00 0.00 C ATOM 4 O GLU A 1 2.937 3.894 -20.427 1.00 0.00 O ATOM 5 CB GLU A 1 0.487 3.978 -21.926 1.00 0.00 C ATOM 6 CG GLU A 1 -0.613 3.825 -22.978 1.00 0.00 C ATOM 7 CD GLU A 1 -0.258 2.844 -24.052 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.393 3.254 -25.036 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.559 1.649 -23.911 1.00 0.00 O ATOM 0 H1 GLU A 1 1.987 3.560 -24.266 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.479 3.843 -23.506 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.458 2.610 -22.940 1.00 0.00 H new ATOM 0 HA GLU A 1 1.659 5.430 -23.001 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.652 3.009 -21.456 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.129 4.653 -21.148 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.534 3.505 -22.490 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.813 4.796 -23.431 1.00 0.00 H new ATOM 18 N ASP A 2 3.375 5.922 -21.244 1.00 0.00 N ATOM 19 CA ASP A 2 4.258 6.255 -20.150 1.00 0.00 C ATOM 20 C ASP A 2 3.453 6.789 -18.995 1.00 0.00 C ATOM 21 O ASP A 2 3.251 7.999 -18.859 1.00 0.00 O ATOM 22 CB ASP A 2 5.355 7.245 -20.558 1.00 0.00 C ATOM 23 CG ASP A 2 6.307 7.560 -19.416 1.00 0.00 C ATOM 24 OD1 ASP A 2 7.137 6.702 -19.069 1.00 0.00 O ATOM 25 OD2 ASP A 2 6.235 8.673 -18.835 1.00 0.00 O ATOM 0 H ASP A 2 3.279 6.649 -21.953 1.00 0.00 H new ATOM 0 HA ASP A 2 4.769 5.341 -19.846 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.919 6.833 -21.394 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.895 8.169 -20.909 1.00 0.00 H new ATOM 30 N MET A 3 2.901 5.874 -18.248 1.00 0.00 N ATOM 31 CA MET A 3 2.113 6.165 -17.072 1.00 0.00 C ATOM 32 C MET A 3 1.932 4.849 -16.324 1.00 0.00 C ATOM 33 O MET A 3 0.854 4.525 -15.804 1.00 0.00 O ATOM 34 CB MET A 3 0.739 6.766 -17.461 1.00 0.00 C ATOM 35 CG MET A 3 -0.047 7.308 -16.267 1.00 0.00 C ATOM 36 SD MET A 3 -1.672 7.995 -16.697 1.00 0.00 S ATOM 37 CE MET A 3 -2.507 6.534 -17.332 1.00 0.00 C ATOM 0 H MET A 3 2.986 4.876 -18.442 1.00 0.00 H new ATOM 0 HA MET A 3 2.615 6.903 -16.446 1.00 0.00 H new ATOM 0 HB2 MET A 3 0.893 7.570 -18.180 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.145 6.001 -17.961 1.00 0.00 H new ATOM 0 HG2 MET A 3 -0.184 6.506 -15.542 1.00 0.00 H new ATOM 0 HG3 MET A 3 0.544 8.082 -15.778 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.581 6.716 -17.370 1.00 0.00 H new ATOM 0 HE2 MET A 3 -2.141 6.312 -18.334 1.00 0.00 H new ATOM 0 HE3 MET A 3 -2.306 5.686 -16.677 1.00 0.00 H new ATOM 47 N GLU A 4 3.001 4.089 -16.263 1.00 0.00 N ATOM 48 CA GLU A 4 2.968 2.797 -15.614 1.00 0.00 C ATOM 49 C GLU A 4 3.886 2.775 -14.400 1.00 0.00 C ATOM 50 O GLU A 4 5.060 2.435 -14.510 1.00 0.00 O ATOM 51 CB GLU A 4 3.351 1.695 -16.587 1.00 0.00 C ATOM 52 CG GLU A 4 2.443 1.612 -17.788 1.00 0.00 C ATOM 53 CD GLU A 4 2.895 0.569 -18.763 1.00 0.00 C ATOM 54 OE1 GLU A 4 3.692 0.892 -19.670 1.00 0.00 O ATOM 55 OE2 GLU A 4 2.479 -0.603 -18.642 1.00 0.00 O ATOM 0 H GLU A 4 3.907 4.343 -16.656 1.00 0.00 H new ATOM 0 HA GLU A 4 1.948 2.619 -15.275 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.374 1.859 -16.925 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.338 0.739 -16.064 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.428 1.386 -17.460 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.409 2.582 -18.284 1.00 0.00 H new ATOM 62 N PRO A 5 3.389 3.205 -13.240 1.00 0.00 N ATOM 63 CA PRO A 5 4.154 3.199 -12.008 1.00 0.00 C ATOM 64 C PRO A 5 4.262 1.785 -11.444 1.00 0.00 C ATOM 65 O PRO A 5 3.240 1.085 -11.277 1.00 0.00 O ATOM 66 CB PRO A 5 3.332 4.101 -11.065 1.00 0.00 C ATOM 67 CG PRO A 5 2.316 4.739 -11.942 1.00 0.00 C ATOM 68 CD PRO A 5 2.059 3.752 -13.029 1.00 0.00 C ATOM 0 HA PRO A 5 5.178 3.548 -12.144 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.861 3.520 -10.272 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.963 4.847 -10.582 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.403 4.962 -11.389 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.682 5.683 -12.346 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.343 2.987 -12.728 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.662 4.225 -13.927 1.00 0.00 H new ATOM 76 N CYS A 6 5.471 1.348 -11.179 1.00 0.00 N ATOM 77 CA CYS A 6 5.682 0.019 -10.664 1.00 0.00 C ATOM 78 C CYS A 6 5.466 -0.077 -9.156 1.00 0.00 C ATOM 79 O CYS A 6 4.378 -0.453 -8.708 1.00 0.00 O ATOM 80 CB CYS A 6 7.034 -0.527 -11.094 1.00 0.00 C ATOM 81 SG CYS A 6 8.390 0.664 -11.048 1.00 0.00 S ATOM 0 H CYS A 6 6.322 1.894 -11.312 1.00 0.00 H new ATOM 0 HA CYS A 6 4.916 -0.618 -11.107 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.289 -1.370 -10.452 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.946 -0.915 -12.109 1.00 0.00 H new ATOM 0 HG CYS A 6 9.489 0.085 -11.432 1.00 0.00 H new ATOM 87 N LEU A 7 6.519 0.247 -8.380 1.00 0.00 N ATOM 88 CA LEU A 7 6.496 0.276 -6.894 1.00 0.00 C ATOM 89 C LEU A 7 6.240 -1.111 -6.286 1.00 0.00 C ATOM 90 O LEU A 7 6.143 -1.260 -5.059 1.00 0.00 O ATOM 91 CB LEU A 7 5.466 1.309 -6.334 1.00 0.00 C ATOM 92 CG LEU A 7 5.679 2.802 -6.672 1.00 0.00 C ATOM 93 CD1 LEU A 7 7.094 3.249 -6.362 1.00 0.00 C ATOM 94 CD2 LEU A 7 5.283 3.126 -8.111 1.00 0.00 C ATOM 0 H LEU A 7 7.427 0.501 -8.769 1.00 0.00 H new ATOM 0 HA LEU A 7 7.493 0.598 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.477 1.023 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.451 1.211 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 7 5.012 3.373 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.205 4.304 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.297 3.105 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.799 2.660 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.449 4.186 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.888 2.533 -8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.229 2.891 -8.260 1.00 0.00 H new ATOM 106 N THR A 8 6.208 -2.109 -7.134 1.00 0.00 N ATOM 107 CA THR A 8 5.854 -3.449 -6.778 1.00 0.00 C ATOM 108 C THR A 8 6.916 -4.076 -5.866 1.00 0.00 C ATOM 109 O THR A 8 8.123 -3.876 -6.065 1.00 0.00 O ATOM 110 CB THR A 8 5.712 -4.271 -8.062 1.00 0.00 C ATOM 111 OG1 THR A 8 5.007 -3.467 -9.039 1.00 0.00 O ATOM 112 CG2 THR A 8 4.909 -5.533 -7.801 1.00 0.00 C ATOM 0 H THR A 8 6.436 -2.001 -8.122 1.00 0.00 H new ATOM 0 HA THR A 8 4.912 -3.439 -6.230 1.00 0.00 H new ATOM 0 HB THR A 8 6.702 -4.551 -8.422 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.053 -3.693 -9.022 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.819 -6.104 -8.725 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.416 -6.138 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.916 -5.264 -7.442 1.00 0.00 H new ATOM 120 N GLY A 9 6.465 -4.775 -4.850 1.00 0.00 N ATOM 121 CA GLY A 9 7.364 -5.426 -3.935 1.00 0.00 C ATOM 122 C GLY A 9 7.393 -4.723 -2.609 1.00 0.00 C ATOM 123 O GLY A 9 7.512 -5.355 -1.562 1.00 0.00 O ATOM 0 H GLY A 9 5.476 -4.906 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.056 -6.462 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.367 -5.447 -4.360 1.00 0.00 H new ATOM 127 N THR A 10 7.240 -3.418 -2.660 1.00 0.00 N ATOM 128 CA THR A 10 7.312 -2.567 -1.496 1.00 0.00 C ATOM 129 C THR A 10 6.142 -2.838 -0.543 1.00 0.00 C ATOM 130 O THR A 10 4.970 -2.867 -0.971 1.00 0.00 O ATOM 131 CB THR A 10 7.235 -1.099 -1.936 1.00 0.00 C ATOM 132 OG1 THR A 10 8.033 -0.917 -3.120 1.00 0.00 O ATOM 133 CG2 THR A 10 7.761 -0.174 -0.841 1.00 0.00 C ATOM 0 H THR A 10 7.059 -2.911 -3.527 1.00 0.00 H new ATOM 0 HA THR A 10 8.251 -2.774 -0.983 1.00 0.00 H new ATOM 0 HB THR A 10 6.192 -0.852 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.449 -0.890 -3.907 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.696 0.861 -1.177 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.163 -0.301 0.061 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.800 -0.421 -0.625 1.00 0.00 H new ATOM 141 N LYS A 11 6.451 -3.068 0.712 1.00 0.00 N ATOM 142 CA LYS A 11 5.430 -3.202 1.700 1.00 0.00 C ATOM 143 C LYS A 11 5.311 -1.851 2.380 1.00 0.00 C ATOM 144 O LYS A 11 6.316 -1.263 2.816 1.00 0.00 O ATOM 145 CB LYS A 11 5.715 -4.382 2.702 1.00 0.00 C ATOM 146 CG LYS A 11 6.670 -4.116 3.891 1.00 0.00 C ATOM 147 CD LYS A 11 5.924 -3.471 5.079 1.00 0.00 C ATOM 148 CE LYS A 11 6.833 -3.198 6.278 1.00 0.00 C ATOM 149 NZ LYS A 11 7.877 -2.184 5.988 1.00 0.00 N ATOM 0 H LYS A 11 7.404 -3.165 1.063 1.00 0.00 H new ATOM 0 HA LYS A 11 4.479 -3.475 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.759 -4.711 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.121 -5.215 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.125 -5.053 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.480 -3.462 3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.472 -2.535 4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.110 -4.126 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.227 -2.859 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.311 -4.128 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.432 -2.001 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.506 -2.538 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.426 -1.302 5.673 1.00 0.00 H new ATOM 163 N VAL A 12 4.144 -1.330 2.410 1.00 0.00 N ATOM 164 CA VAL A 12 3.912 -0.034 2.986 1.00 0.00 C ATOM 165 C VAL A 12 2.753 -0.101 3.938 1.00 0.00 C ATOM 166 O VAL A 12 2.156 -1.161 4.123 1.00 0.00 O ATOM 167 CB VAL A 12 3.586 1.010 1.884 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.804 1.290 1.022 1.00 0.00 C ATOM 169 CG2 VAL A 12 2.432 0.516 1.014 1.00 0.00 C ATOM 0 H VAL A 12 3.309 -1.781 2.037 1.00 0.00 H new ATOM 0 HA VAL A 12 4.818 0.268 3.512 1.00 0.00 H new ATOM 0 HB VAL A 12 3.292 1.939 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.548 2.024 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.609 1.680 1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.131 0.367 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.213 1.257 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.710 -0.426 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.548 0.364 1.634 1.00 0.00 H new ATOM 179 N LYS A 13 2.440 1.001 4.537 1.00 0.00 N ATOM 180 CA LYS A 13 1.264 1.092 5.328 1.00 0.00 C ATOM 181 C LYS A 13 0.298 1.916 4.584 1.00 0.00 C ATOM 182 O LYS A 13 0.679 2.853 3.884 1.00 0.00 O ATOM 183 CB LYS A 13 1.492 1.685 6.714 1.00 0.00 C ATOM 184 CG LYS A 13 2.303 0.808 7.646 1.00 0.00 C ATOM 185 CD LYS A 13 2.346 1.367 9.061 1.00 0.00 C ATOM 186 CE LYS A 13 2.782 2.813 9.075 1.00 0.00 C ATOM 187 NZ LYS A 13 2.913 3.349 10.444 1.00 0.00 N ATOM 0 H LYS A 13 2.991 1.858 4.490 1.00 0.00 H new ATOM 0 HA LYS A 13 0.897 0.081 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.998 2.644 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.524 1.885 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.875 -0.194 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.319 0.713 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.360 1.279 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.031 0.774 9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.737 2.906 8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.060 3.413 8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.214 4.344 10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.996 3.286 10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.621 2.796 10.967 1.00 0.00 H new ATOM 201 N VAL A 14 -0.908 1.554 4.680 1.00 0.00 N ATOM 202 CA VAL A 14 -1.943 2.199 3.993 1.00 0.00 C ATOM 203 C VAL A 14 -2.978 2.670 4.984 1.00 0.00 C ATOM 204 O VAL A 14 -3.359 1.945 5.910 1.00 0.00 O ATOM 205 CB VAL A 14 -2.579 1.247 2.943 1.00 0.00 C ATOM 206 CG1 VAL A 14 -3.775 1.877 2.274 1.00 0.00 C ATOM 207 CG2 VAL A 14 -1.554 0.845 1.885 1.00 0.00 C ATOM 0 H VAL A 14 -1.217 0.773 5.259 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.540 3.060 3.459 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.913 0.357 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.193 1.182 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.529 2.114 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.468 2.792 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.021 0.178 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.189 1.736 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.719 0.333 2.363 1.00 0.00 H new ATOM 217 N LYS A 15 -3.412 3.860 4.785 1.00 0.00 N ATOM 218 CA LYS A 15 -4.407 4.460 5.569 1.00 0.00 C ATOM 219 C LYS A 15 -5.615 4.484 4.696 1.00 0.00 C ATOM 220 O LYS A 15 -5.715 5.280 3.787 1.00 0.00 O ATOM 221 CB LYS A 15 -3.997 5.908 5.887 1.00 0.00 C ATOM 222 CG LYS A 15 -4.927 6.624 6.852 1.00 0.00 C ATOM 223 CD LYS A 15 -4.489 8.057 7.135 1.00 0.00 C ATOM 224 CE LYS A 15 -3.103 8.126 7.763 1.00 0.00 C ATOM 225 NZ LYS A 15 -2.741 9.503 8.144 1.00 0.00 N ATOM 0 H LYS A 15 -3.064 4.461 4.038 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.573 3.931 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.991 5.905 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.953 6.473 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.936 6.631 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.969 6.069 7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.493 8.626 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.211 8.530 7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.071 7.485 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.366 7.738 7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.791 9.508 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.746 10.110 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.430 9.865 8.834 1.00 0.00 H new ATOM 239 N TYR A 16 -6.504 3.608 4.934 1.00 0.00 N ATOM 240 CA TYR A 16 -7.662 3.531 4.122 1.00 0.00 C ATOM 241 C TYR A 16 -8.828 3.664 5.028 1.00 0.00 C ATOM 242 O TYR A 16 -8.898 2.986 6.072 1.00 0.00 O ATOM 243 CB TYR A 16 -7.682 2.211 3.330 1.00 0.00 C ATOM 244 CG TYR A 16 -8.778 2.116 2.287 1.00 0.00 C ATOM 245 CD1 TYR A 16 -8.649 2.749 1.049 1.00 0.00 C ATOM 246 CD2 TYR A 16 -9.929 1.391 2.527 1.00 0.00 C ATOM 247 CE1 TYR A 16 -9.646 2.660 0.091 1.00 0.00 C ATOM 248 CE2 TYR A 16 -10.920 1.298 1.576 1.00 0.00 C ATOM 249 CZ TYR A 16 -10.779 1.931 0.367 1.00 0.00 C ATOM 250 OH TYR A 16 -11.793 1.851 -0.560 1.00 0.00 O ATOM 0 H TYR A 16 -6.459 2.924 5.690 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.682 4.325 3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.718 2.084 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.793 1.384 4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.756 3.318 0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.053 0.889 3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.535 3.157 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.812 0.725 1.782 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.518 1.296 -0.205 1.00 0.00 H new ATOM 260 N GLY A 17 -9.688 4.576 4.721 1.00 0.00 N ATOM 261 CA GLY A 17 -10.772 4.772 5.571 1.00 0.00 C ATOM 262 C GLY A 17 -11.699 5.830 5.138 1.00 0.00 C ATOM 263 O GLY A 17 -11.320 6.767 4.431 1.00 0.00 O ATOM 0 H GLY A 17 -9.649 5.179 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.323 3.836 5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.399 5.017 6.566 1.00 0.00 H new ATOM 267 N ARG A 18 -12.887 5.699 5.605 1.00 0.00 N ATOM 268 CA ARG A 18 -13.936 6.598 5.364 1.00 0.00 C ATOM 269 C ARG A 18 -14.520 7.022 6.714 1.00 0.00 C ATOM 270 O ARG A 18 -15.210 6.241 7.390 1.00 0.00 O ATOM 271 CB ARG A 18 -14.983 5.930 4.440 1.00 0.00 C ATOM 272 CG ARG A 18 -15.465 4.545 4.900 1.00 0.00 C ATOM 273 CD ARG A 18 -16.406 3.921 3.887 1.00 0.00 C ATOM 274 NE ARG A 18 -17.612 4.727 3.677 1.00 0.00 N ATOM 275 CZ ARG A 18 -18.429 4.628 2.623 1.00 0.00 C ATOM 276 NH1 ARG A 18 -18.175 3.752 1.653 1.00 0.00 N ATOM 277 NH2 ARG A 18 -19.497 5.409 2.543 1.00 0.00 N ATOM 0 H ARG A 18 -13.160 4.915 6.198 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.587 7.494 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.847 6.590 4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.557 5.837 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.606 3.891 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.971 4.635 5.861 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.884 3.798 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.692 2.925 4.225 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.846 5.417 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.353 3.151 1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.803 3.682 0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.693 6.082 3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.123 5.337 1.741 1.00 0.00 H new ATOM 291 N GLY A 19 -14.177 8.228 7.114 1.00 0.00 N ATOM 292 CA GLY A 19 -14.646 8.807 8.355 1.00 0.00 C ATOM 293 C GLY A 19 -14.303 7.988 9.597 1.00 0.00 C ATOM 294 O GLY A 19 -13.138 7.922 10.024 1.00 0.00 O ATOM 0 H GLY A 19 -13.559 8.840 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.219 9.804 8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.728 8.928 8.301 1.00 0.00 H new ATOM 298 N LYS A 20 -15.314 7.345 10.149 1.00 0.00 N ATOM 299 CA LYS A 20 -15.191 6.578 11.372 1.00 0.00 C ATOM 300 C LYS A 20 -14.621 5.181 11.083 1.00 0.00 C ATOM 301 O LYS A 20 -14.115 4.496 11.975 1.00 0.00 O ATOM 302 CB LYS A 20 -16.568 6.482 12.055 1.00 0.00 C ATOM 303 CG LYS A 20 -16.542 5.867 13.444 1.00 0.00 C ATOM 304 CD LYS A 20 -17.931 5.796 14.043 1.00 0.00 C ATOM 305 CE LYS A 20 -17.877 5.227 15.443 1.00 0.00 C ATOM 306 NZ LYS A 20 -19.214 5.099 16.054 1.00 0.00 N ATOM 0 H LYS A 20 -16.255 7.341 9.755 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.497 7.083 12.044 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.996 7.482 12.122 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.232 5.893 11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.115 4.866 13.392 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.894 6.457 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.375 6.791 14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.572 5.176 13.417 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.399 4.248 15.415 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.255 5.868 16.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.122 4.705 17.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.663 6.036 16.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.801 4.466 15.474 1.00 0.00 H new ATOM 320 N THR A 21 -14.703 4.767 9.852 1.00 0.00 N ATOM 321 CA THR A 21 -14.163 3.500 9.446 1.00 0.00 C ATOM 322 C THR A 21 -12.818 3.754 8.785 1.00 0.00 C ATOM 323 O THR A 21 -12.751 3.933 7.590 1.00 0.00 O ATOM 324 CB THR A 21 -15.118 2.806 8.452 1.00 0.00 C ATOM 325 OG1 THR A 21 -16.422 2.716 9.038 1.00 0.00 O ATOM 326 CG2 THR A 21 -14.635 1.409 8.083 1.00 0.00 C ATOM 0 H THR A 21 -15.145 5.297 9.101 1.00 0.00 H new ATOM 0 HA THR A 21 -14.043 2.848 10.311 1.00 0.00 H new ATOM 0 HB THR A 21 -15.147 3.402 7.540 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.033 2.277 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.335 0.955 7.382 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.650 1.475 7.621 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.574 0.796 8.982 1.00 0.00 H new ATOM 334 N GLN A 22 -11.773 3.838 9.575 1.00 0.00 N ATOM 335 CA GLN A 22 -10.458 4.185 9.077 1.00 0.00 C ATOM 336 C GLN A 22 -9.411 3.445 9.880 1.00 0.00 C ATOM 337 O GLN A 22 -9.282 3.657 11.095 1.00 0.00 O ATOM 338 CB GLN A 22 -10.286 5.731 9.174 1.00 0.00 C ATOM 339 CG GLN A 22 -9.036 6.374 8.524 1.00 0.00 C ATOM 340 CD GLN A 22 -7.718 6.099 9.229 1.00 0.00 C ATOM 341 OE1 GLN A 22 -7.004 5.107 8.782 1.00 0.00 O flip ATOM 342 NE2 GLN A 22 -7.323 6.817 10.137 1.00 0.00 N flip ATOM 0 H GLN A 22 -11.808 3.668 10.580 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.341 3.892 8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.167 6.192 8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.287 6.000 10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.959 6.019 7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.186 7.453 8.479 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.904 7.588 10.467 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.413 6.645 10.564 1.00 0.00 H new ATOM 351 N LYS A 23 -8.668 2.579 9.206 1.00 0.00 N ATOM 352 CA LYS A 23 -7.610 1.803 9.842 1.00 0.00 C ATOM 353 C LYS A 23 -6.327 1.945 9.038 1.00 0.00 C ATOM 354 O LYS A 23 -6.369 2.335 7.857 1.00 0.00 O ATOM 355 CB LYS A 23 -7.983 0.309 9.920 1.00 0.00 C ATOM 356 CG LYS A 23 -9.293 -0.025 10.642 1.00 0.00 C ATOM 357 CD LYS A 23 -9.302 0.434 12.094 1.00 0.00 C ATOM 358 CE LYS A 23 -8.219 -0.239 12.928 1.00 0.00 C ATOM 359 NZ LYS A 23 -8.200 0.276 14.313 1.00 0.00 N ATOM 0 H LYS A 23 -8.779 2.394 8.209 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.473 2.183 10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.042 -0.083 8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.172 -0.221 10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.123 0.443 10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.458 -1.102 10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.164 1.515 12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.277 0.222 12.532 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.386 -1.316 12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.246 -0.074 12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.451 -0.204 14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.016 1.299 14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.120 0.096 14.763 1.00 0.00 H new ATOM 373 N ILE A 24 -5.206 1.673 9.665 1.00 0.00 N ATOM 374 CA ILE A 24 -3.929 1.676 8.989 1.00 0.00 C ATOM 375 C ILE A 24 -3.474 0.238 8.880 1.00 0.00 C ATOM 376 O ILE A 24 -3.217 -0.429 9.890 1.00 0.00 O ATOM 377 CB ILE A 24 -2.799 2.529 9.703 1.00 0.00 C ATOM 378 CG1 ILE A 24 -3.152 4.040 9.796 1.00 0.00 C ATOM 379 CG2 ILE A 24 -1.453 2.361 8.978 1.00 0.00 C ATOM 380 CD1 ILE A 24 -4.231 4.399 10.808 1.00 0.00 C ATOM 0 H ILE A 24 -5.153 1.444 10.657 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.078 2.152 8.020 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.723 2.145 10.720 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.246 4.592 10.045 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.473 4.382 8.812 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.691 2.954 9.483 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.162 1.311 8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.551 2.699 7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.400 5.476 10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.156 3.882 10.552 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.910 4.096 11.805 1.00 0.00 H new ATOM 392 N TYR A 25 -3.398 -0.236 7.689 1.00 0.00 N ATOM 393 CA TYR A 25 -3.046 -1.606 7.442 1.00 0.00 C ATOM 394 C TYR A 25 -1.690 -1.606 6.760 1.00 0.00 C ATOM 395 O TYR A 25 -1.244 -0.566 6.296 1.00 0.00 O ATOM 396 CB TYR A 25 -4.041 -2.250 6.471 1.00 0.00 C ATOM 397 CG TYR A 25 -5.529 -1.987 6.698 1.00 0.00 C ATOM 398 CD1 TYR A 25 -6.290 -2.765 7.563 1.00 0.00 C ATOM 399 CD2 TYR A 25 -6.180 -0.986 5.980 1.00 0.00 C ATOM 400 CE1 TYR A 25 -7.655 -2.554 7.701 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.532 -0.761 6.123 1.00 0.00 C ATOM 402 CZ TYR A 25 -8.267 -1.546 6.977 1.00 0.00 C ATOM 403 OH TYR A 25 -9.627 -1.332 7.093 1.00 0.00 O ATOM 0 H TYR A 25 -3.577 0.311 6.847 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.045 -2.157 8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.791 -1.915 5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.884 -3.328 6.496 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.812 -3.545 8.136 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.612 -0.373 5.296 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.236 -3.173 8.369 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.012 0.030 5.565 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.891 -0.585 6.516 1.00 0.00 H new ATOM 413 N GLU A 26 -1.044 -2.732 6.694 1.00 0.00 N ATOM 414 CA GLU A 26 0.166 -2.852 5.943 1.00 0.00 C ATOM 415 C GLU A 26 -0.153 -3.625 4.679 1.00 0.00 C ATOM 416 O GLU A 26 -0.794 -4.684 4.720 1.00 0.00 O ATOM 417 CB GLU A 26 1.247 -3.615 6.712 1.00 0.00 C ATOM 418 CG GLU A 26 1.535 -3.119 8.113 1.00 0.00 C ATOM 419 CD GLU A 26 0.517 -3.565 9.143 1.00 0.00 C ATOM 420 OE1 GLU A 26 -0.269 -4.508 8.875 1.00 0.00 O ATOM 421 OE2 GLU A 26 0.513 -3.005 10.261 1.00 0.00 O ATOM 0 H GLU A 26 -1.341 -3.590 7.159 1.00 0.00 H new ATOM 0 HA GLU A 26 0.545 -1.852 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.952 -4.663 6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.172 -3.576 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.522 -3.469 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.573 -2.030 8.102 1.00 0.00 H new ATOM 428 N ALA A 27 0.279 -3.106 3.572 1.00 0.00 N ATOM 429 CA ALA A 27 -0.032 -3.677 2.300 1.00 0.00 C ATOM 430 C ALA A 27 1.191 -3.746 1.434 1.00 0.00 C ATOM 431 O ALA A 27 2.181 -3.096 1.697 1.00 0.00 O ATOM 432 CB ALA A 27 -1.105 -2.864 1.611 1.00 0.00 C ATOM 0 H ALA A 27 0.861 -2.269 3.526 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.400 -4.690 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.333 -3.309 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.005 -2.853 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.752 -1.843 1.467 1.00 0.00 H new ATOM 438 N SER A 28 1.126 -4.553 0.431 1.00 0.00 N ATOM 439 CA SER A 28 2.193 -4.679 -0.515 1.00 0.00 C ATOM 440 C SER A 28 1.682 -4.222 -1.883 1.00 0.00 C ATOM 441 O SER A 28 0.533 -4.540 -2.256 1.00 0.00 O ATOM 442 CB SER A 28 2.646 -6.123 -0.528 1.00 0.00 C ATOM 443 OG SER A 28 2.828 -6.562 0.815 1.00 0.00 O ATOM 0 H SER A 28 0.324 -5.153 0.238 1.00 0.00 H new ATOM 0 HA SER A 28 3.048 -4.057 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.906 -6.746 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.577 -6.221 -1.086 1.00 0.00 H new ATOM 0 HG SER A 28 3.120 -7.497 0.817 1.00 0.00 H new ATOM 449 N ILE A 29 2.497 -3.463 -2.593 1.00 0.00 N ATOM 450 CA ILE A 29 2.100 -2.850 -3.862 1.00 0.00 C ATOM 451 C ILE A 29 2.094 -3.866 -5.008 1.00 0.00 C ATOM 452 O ILE A 29 3.063 -4.604 -5.202 1.00 0.00 O ATOM 453 CB ILE A 29 3.052 -1.687 -4.255 1.00 0.00 C ATOM 454 CG1 ILE A 29 3.227 -0.668 -3.106 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.559 -0.993 -5.527 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.949 -0.011 -2.633 1.00 0.00 C ATOM 0 H ILE A 29 3.454 -3.250 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 29 1.091 -2.468 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 29 4.032 -2.121 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.692 -1.174 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.918 0.109 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.239 -0.181 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.526 -1.713 -6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.561 -0.590 -5.358 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.175 0.686 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.489 0.529 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.260 -0.774 -2.271 1.00 0.00 H new ATOM 468 N LYS A 30 1.011 -3.890 -5.751 1.00 0.00 N ATOM 469 CA LYS A 30 0.870 -4.742 -6.907 1.00 0.00 C ATOM 470 C LYS A 30 1.149 -3.925 -8.180 1.00 0.00 C ATOM 471 O LYS A 30 2.079 -4.218 -8.920 1.00 0.00 O ATOM 472 CB LYS A 30 -0.560 -5.329 -6.977 1.00 0.00 C ATOM 473 CG LYS A 30 -0.798 -6.315 -8.134 1.00 0.00 C ATOM 474 CD LYS A 30 -0.130 -7.667 -7.888 1.00 0.00 C ATOM 475 CE LYS A 30 -0.845 -8.450 -6.791 1.00 0.00 C ATOM 476 NZ LYS A 30 -2.198 -8.902 -7.203 1.00 0.00 N ATOM 0 H LYS A 30 0.193 -3.310 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 30 1.583 -5.563 -6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.776 -5.836 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.271 -4.507 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.870 -6.461 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.415 -5.886 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.130 -8.248 -8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.912 -7.514 -7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.244 -9.317 -6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.929 -7.827 -5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.918 -8.311 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.293 -8.817 -8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.332 -9.895 -6.923 1.00 0.00 H new ATOM 490 N SER A 31 0.340 -2.900 -8.424 1.00 0.00 N ATOM 491 CA SER A 31 0.443 -2.072 -9.630 1.00 0.00 C ATOM 492 C SER A 31 -0.173 -0.692 -9.354 1.00 0.00 C ATOM 493 O SER A 31 -0.664 -0.461 -8.237 1.00 0.00 O ATOM 494 CB SER A 31 -0.282 -2.762 -10.798 1.00 0.00 C ATOM 495 OG SER A 31 0.248 -4.065 -11.026 1.00 0.00 O ATOM 0 H SER A 31 -0.409 -2.616 -7.793 1.00 0.00 H new ATOM 0 HA SER A 31 1.491 -1.944 -9.900 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.348 -2.831 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.180 -2.160 -11.701 1.00 0.00 H new ATOM 0 HG SER A 31 -0.228 -4.486 -11.772 1.00 0.00 H new ATOM 501 N THR A 32 -0.174 0.210 -10.349 1.00 0.00 N ATOM 502 CA THR A 32 -0.683 1.565 -10.141 1.00 0.00 C ATOM 503 C THR A 32 -1.360 2.087 -11.428 1.00 0.00 C ATOM 504 O THR A 32 -0.913 1.773 -12.541 1.00 0.00 O ATOM 505 CB THR A 32 0.474 2.521 -9.817 1.00 0.00 C ATOM 506 OG1 THR A 32 1.536 1.827 -9.146 1.00 0.00 O ATOM 507 CG2 THR A 32 0.012 3.612 -8.910 1.00 0.00 C ATOM 0 H THR A 32 0.168 0.024 -11.292 1.00 0.00 H new ATOM 0 HA THR A 32 -1.397 1.529 -9.318 1.00 0.00 H new ATOM 0 HB THR A 32 0.828 2.931 -10.763 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.185 1.506 -9.806 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.845 4.280 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.786 4.174 -9.394 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.360 3.180 -7.981 1.00 0.00 H new ATOM 515 N GLU A 33 -2.406 2.870 -11.273 1.00 0.00 N ATOM 516 CA GLU A 33 -3.103 3.510 -12.388 1.00 0.00 C ATOM 517 C GLU A 33 -3.527 4.894 -12.025 1.00 0.00 C ATOM 518 O GLU A 33 -3.676 5.215 -10.867 1.00 0.00 O ATOM 519 CB GLU A 33 -4.358 2.775 -12.826 1.00 0.00 C ATOM 520 CG GLU A 33 -4.145 1.550 -13.659 1.00 0.00 C ATOM 521 CD GLU A 33 -5.437 1.114 -14.286 1.00 0.00 C ATOM 522 OE1 GLU A 33 -5.863 1.748 -15.269 1.00 0.00 O ATOM 523 OE2 GLU A 33 -6.057 0.160 -13.808 1.00 0.00 O ATOM 0 H GLU A 33 -2.808 3.088 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.381 3.503 -13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.918 2.491 -11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.983 3.468 -13.389 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.407 1.754 -14.435 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.744 0.747 -13.041 1.00 0.00 H new ATOM 530 N ILE A 34 -3.727 5.704 -13.018 1.00 0.00 N ATOM 531 CA ILE A 34 -4.265 7.026 -12.829 1.00 0.00 C ATOM 532 C ILE A 34 -5.625 7.038 -13.499 1.00 0.00 C ATOM 533 O ILE A 34 -5.765 6.526 -14.615 1.00 0.00 O ATOM 534 CB ILE A 34 -3.361 8.176 -13.434 1.00 0.00 C ATOM 535 CG1 ILE A 34 -2.024 8.370 -12.676 1.00 0.00 C ATOM 536 CG2 ILE A 34 -4.109 9.512 -13.501 1.00 0.00 C ATOM 537 CD1 ILE A 34 -1.043 7.225 -12.758 1.00 0.00 C ATOM 0 H ILE A 34 -3.522 5.471 -13.990 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.318 7.232 -11.760 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.122 7.846 -14.445 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.538 9.267 -13.061 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.249 8.555 -11.626 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.454 10.275 -13.922 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.992 9.404 -14.131 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.414 9.809 -12.498 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.146 7.473 -12.191 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.498 6.326 -12.342 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.776 7.048 -13.800 1.00 0.00 H new ATOM 549 N ASP A 35 -6.606 7.547 -12.821 1.00 0.00 N ATOM 550 CA ASP A 35 -7.965 7.636 -13.340 1.00 0.00 C ATOM 551 C ASP A 35 -8.589 8.921 -12.854 1.00 0.00 C ATOM 552 O ASP A 35 -8.537 9.209 -11.678 1.00 0.00 O ATOM 553 CB ASP A 35 -8.812 6.443 -12.866 1.00 0.00 C ATOM 554 CG ASP A 35 -10.234 6.478 -13.389 1.00 0.00 C ATOM 555 OD1 ASP A 35 -10.484 5.936 -14.488 1.00 0.00 O ATOM 556 OD2 ASP A 35 -11.129 7.029 -12.715 1.00 0.00 O ATOM 0 H ASP A 35 -6.500 7.921 -11.878 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.930 7.620 -14.429 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.336 5.517 -13.187 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.832 6.430 -11.776 1.00 0.00 H new ATOM 561 N ASP A 36 -9.080 9.727 -13.782 1.00 0.00 N ATOM 562 CA ASP A 36 -9.782 11.016 -13.502 1.00 0.00 C ATOM 563 C ASP A 36 -8.872 11.998 -12.720 1.00 0.00 C ATOM 564 O ASP A 36 -9.326 12.954 -12.110 1.00 0.00 O ATOM 565 CB ASP A 36 -11.114 10.747 -12.741 1.00 0.00 C ATOM 566 CG ASP A 36 -12.048 11.956 -12.643 1.00 0.00 C ATOM 567 OD1 ASP A 36 -12.661 12.343 -13.681 1.00 0.00 O ATOM 568 OD2 ASP A 36 -12.256 12.492 -11.530 1.00 0.00 O ATOM 0 H ASP A 36 -9.012 9.519 -14.778 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.020 11.491 -14.454 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.644 9.935 -13.239 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.879 10.404 -11.734 1.00 0.00 H new ATOM 573 N GLY A 37 -7.574 11.788 -12.826 1.00 0.00 N ATOM 574 CA GLY A 37 -6.631 12.660 -12.164 1.00 0.00 C ATOM 575 C GLY A 37 -6.089 12.098 -10.852 1.00 0.00 C ATOM 576 O GLY A 37 -5.129 12.640 -10.298 1.00 0.00 O ATOM 0 H GLY A 37 -7.154 11.027 -13.360 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.796 12.855 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.112 13.618 -11.967 1.00 0.00 H new ATOM 580 N GLU A 38 -6.647 11.002 -10.379 1.00 0.00 N ATOM 581 CA GLU A 38 -6.205 10.422 -9.119 1.00 0.00 C ATOM 582 C GLU A 38 -5.432 9.168 -9.412 1.00 0.00 C ATOM 583 O GLU A 38 -5.662 8.511 -10.428 1.00 0.00 O ATOM 584 CB GLU A 38 -7.404 10.137 -8.170 1.00 0.00 C ATOM 585 CG GLU A 38 -8.409 9.094 -8.681 1.00 0.00 C ATOM 586 CD GLU A 38 -9.656 8.991 -7.841 1.00 0.00 C ATOM 587 OE1 GLU A 38 -9.896 9.874 -6.986 1.00 0.00 O ATOM 588 OE2 GLU A 38 -10.430 8.025 -8.011 1.00 0.00 O ATOM 0 H GLU A 38 -7.402 10.495 -10.841 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.562 11.134 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.014 9.802 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.935 11.072 -7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.690 9.344 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.922 8.119 -8.714 1.00 0.00 H new ATOM 595 N VAL A 39 -4.485 8.868 -8.579 1.00 0.00 N ATOM 596 CA VAL A 39 -3.672 7.730 -8.772 1.00 0.00 C ATOM 597 C VAL A 39 -3.973 6.686 -7.752 1.00 0.00 C ATOM 598 O VAL A 39 -3.909 6.909 -6.533 1.00 0.00 O ATOM 599 CB VAL A 39 -2.159 8.057 -8.891 1.00 0.00 C ATOM 600 CG1 VAL A 39 -1.642 8.761 -7.654 1.00 0.00 C ATOM 601 CG2 VAL A 39 -1.331 6.810 -9.237 1.00 0.00 C ATOM 0 H VAL A 39 -4.261 9.413 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.930 7.316 -9.747 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.042 8.751 -9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.580 8.974 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.186 9.695 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.788 8.121 -6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.278 7.082 -9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.458 6.060 -8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.668 6.402 -10.190 1.00 0.00 H new ATOM 611 N LEU A 40 -4.344 5.582 -8.264 1.00 0.00 N ATOM 612 CA LEU A 40 -4.772 4.497 -7.509 1.00 0.00 C ATOM 613 C LEU A 40 -3.725 3.440 -7.575 1.00 0.00 C ATOM 614 O LEU A 40 -3.218 3.105 -8.647 1.00 0.00 O ATOM 615 CB LEU A 40 -6.115 3.947 -8.039 1.00 0.00 C ATOM 616 CG LEU A 40 -7.279 4.941 -8.200 1.00 0.00 C ATOM 617 CD1 LEU A 40 -7.391 5.834 -7.002 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.165 5.720 -9.496 1.00 0.00 C ATOM 0 H LEU A 40 -4.355 5.410 -9.269 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.929 4.813 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.930 3.487 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.442 3.153 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.207 4.372 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.221 6.527 -7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.568 5.229 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.465 6.396 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.002 6.413 -9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.229 6.279 -9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.181 5.029 -10.339 1.00 0.00 H new ATOM 630 N TYR A 41 -3.404 2.949 -6.463 1.00 0.00 N ATOM 631 CA TYR A 41 -2.448 1.921 -6.310 1.00 0.00 C ATOM 632 C TYR A 41 -3.193 0.692 -5.961 1.00 0.00 C ATOM 633 O TYR A 41 -4.216 0.755 -5.283 1.00 0.00 O ATOM 634 CB TYR A 41 -1.464 2.252 -5.183 1.00 0.00 C ATOM 635 CG TYR A 41 -0.496 3.385 -5.474 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.924 4.709 -5.569 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.857 3.124 -5.653 1.00 0.00 C ATOM 638 CE1 TYR A 41 -0.034 5.725 -5.832 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.751 4.141 -5.917 1.00 0.00 C ATOM 640 CZ TYR A 41 1.298 5.439 -6.005 1.00 0.00 C ATOM 641 OH TYR A 41 2.186 6.458 -6.277 1.00 0.00 O ATOM 0 H TYR A 41 -3.813 3.258 -5.581 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.875 1.801 -7.229 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.034 2.505 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.888 1.356 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.970 4.940 -5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.215 2.107 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.382 6.745 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.799 3.921 -6.054 1.00 0.00 H new ATOM 0 HH TYR A 41 3.089 6.089 -6.370 1.00 0.00 H new ATOM 651 N LEU A 42 -2.705 -0.395 -6.395 1.00 0.00 N ATOM 652 CA LEU A 42 -3.335 -1.635 -6.161 1.00 0.00 C ATOM 653 C LEU A 42 -2.465 -2.318 -5.127 1.00 0.00 C ATOM 654 O LEU A 42 -1.317 -2.638 -5.401 1.00 0.00 O ATOM 655 CB LEU A 42 -3.344 -2.427 -7.477 1.00 0.00 C ATOM 656 CG LEU A 42 -4.493 -3.402 -7.713 1.00 0.00 C ATOM 657 CD1 LEU A 42 -4.234 -4.246 -8.944 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.760 -4.270 -6.524 1.00 0.00 C ATOM 0 H LEU A 42 -1.841 -0.456 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.365 -1.546 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.338 -1.711 -8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.411 -2.988 -7.537 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.389 -2.804 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.065 -4.935 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.137 -3.598 -9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.313 -4.813 -8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.587 -4.945 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.868 -4.852 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.020 -3.646 -5.669 1.00 0.00 H new ATOM 670 N VAL A 43 -2.978 -2.465 -3.942 1.00 0.00 N ATOM 671 CA VAL A 43 -2.222 -2.974 -2.823 1.00 0.00 C ATOM 672 C VAL A 43 -2.962 -4.155 -2.194 1.00 0.00 C ATOM 673 O VAL A 43 -4.178 -4.261 -2.298 1.00 0.00 O ATOM 674 CB VAL A 43 -2.039 -1.844 -1.740 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.454 -0.588 -2.356 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.353 -1.515 -1.026 1.00 0.00 C ATOM 0 H VAL A 43 -3.945 -2.233 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.244 -3.300 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.342 -2.230 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.339 0.175 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.481 -0.815 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.122 -0.220 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.180 -0.731 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.087 -1.172 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.729 -2.408 -0.526 1.00 0.00 H new ATOM 686 N HIS A 44 -2.251 -5.059 -1.591 1.00 0.00 N ATOM 687 CA HIS A 44 -2.917 -6.112 -0.846 1.00 0.00 C ATOM 688 C HIS A 44 -2.400 -6.184 0.550 1.00 0.00 C ATOM 689 O HIS A 44 -1.189 -6.153 0.772 1.00 0.00 O ATOM 690 CB HIS A 44 -2.952 -7.500 -1.538 1.00 0.00 C ATOM 691 CG HIS A 44 -1.639 -8.125 -1.932 1.00 0.00 C ATOM 692 ND1 HIS A 44 -1.444 -8.646 -3.167 1.00 0.00 N ATOM 693 CD2 HIS A 44 -0.507 -8.393 -1.237 1.00 0.00 C ATOM 694 CE1 HIS A 44 -0.268 -9.213 -3.234 1.00 0.00 C ATOM 695 NE2 HIS A 44 0.325 -9.069 -2.077 1.00 0.00 N ATOM 0 H HIS A 44 -1.232 -5.100 -1.592 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.967 -5.820 -0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.465 -8.193 -0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.563 -7.410 -2.436 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.116 -8.602 -3.933 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.303 -8.122 -0.212 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.144 -9.715 -4.097 1.00 0.00 H new ATOM 704 N TYR A 45 -3.303 -6.262 1.482 1.00 0.00 N ATOM 705 CA TYR A 45 -2.963 -6.259 2.880 1.00 0.00 C ATOM 706 C TYR A 45 -2.624 -7.672 3.284 1.00 0.00 C ATOM 707 O TYR A 45 -3.514 -8.485 3.491 1.00 0.00 O ATOM 708 CB TYR A 45 -4.149 -5.749 3.694 1.00 0.00 C ATOM 709 CG TYR A 45 -4.765 -4.473 3.157 1.00 0.00 C ATOM 710 CD1 TYR A 45 -4.131 -3.259 3.312 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.987 -4.494 2.494 1.00 0.00 C ATOM 712 CE1 TYR A 45 -4.686 -2.096 2.827 1.00 0.00 C ATOM 713 CE2 TYR A 45 -6.551 -3.333 2.005 1.00 0.00 C ATOM 714 CZ TYR A 45 -5.894 -2.136 2.177 1.00 0.00 C ATOM 715 OH TYR A 45 -6.443 -0.979 1.697 1.00 0.00 O ATOM 0 H TYR A 45 -4.304 -6.330 1.296 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.111 -5.605 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.915 -6.524 3.725 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.825 -5.579 4.721 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.181 -3.219 3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.503 -5.433 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.172 -1.155 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.501 -3.364 1.491 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.298 -1.179 1.262 1.00 0.00 H new ATOM 725 N TYR A 46 -1.350 -7.955 3.396 1.00 0.00 N ATOM 726 CA TYR A 46 -0.869 -9.319 3.605 1.00 0.00 C ATOM 727 C TYR A 46 -1.393 -9.987 4.880 1.00 0.00 C ATOM 728 O TYR A 46 -1.718 -11.171 4.860 1.00 0.00 O ATOM 729 CB TYR A 46 0.669 -9.426 3.457 1.00 0.00 C ATOM 730 CG TYR A 46 1.484 -8.493 4.336 1.00 0.00 C ATOM 731 CD1 TYR A 46 1.731 -7.183 3.946 1.00 0.00 C ATOM 732 CD2 TYR A 46 2.016 -8.924 5.544 1.00 0.00 C ATOM 733 CE1 TYR A 46 2.477 -6.333 4.732 1.00 0.00 C ATOM 734 CE2 TYR A 46 2.766 -8.077 6.336 1.00 0.00 C ATOM 735 CZ TYR A 46 2.993 -6.785 5.926 1.00 0.00 C ATOM 736 OH TYR A 46 3.739 -5.932 6.720 1.00 0.00 O ATOM 0 H TYR A 46 -0.610 -7.255 3.346 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.308 -9.903 2.796 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.966 -10.452 3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.929 -9.234 2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.331 -6.824 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.840 -9.939 5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.656 -5.317 4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.172 -8.428 7.273 1.00 0.00 H new ATOM 0 HH TYR A 46 4.028 -6.406 7.528 1.00 0.00 H new ATOM 746 N GLY A 47 -1.518 -9.239 5.955 1.00 0.00 N ATOM 747 CA GLY A 47 -2.014 -9.825 7.181 1.00 0.00 C ATOM 748 C GLY A 47 -3.418 -9.368 7.521 1.00 0.00 C ATOM 749 O GLY A 47 -3.851 -9.472 8.665 1.00 0.00 O ATOM 0 H GLY A 47 -1.289 -8.246 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.002 -10.911 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.343 -9.566 8.000 1.00 0.00 H new ATOM 753 N TRP A 48 -4.142 -8.864 6.536 1.00 0.00 N ATOM 754 CA TRP A 48 -5.496 -8.363 6.781 1.00 0.00 C ATOM 755 C TRP A 48 -6.473 -8.907 5.750 1.00 0.00 C ATOM 756 O TRP A 48 -7.489 -9.509 6.095 1.00 0.00 O ATOM 757 CB TRP A 48 -5.545 -6.822 6.766 1.00 0.00 C ATOM 758 CG TRP A 48 -4.658 -6.153 7.773 1.00 0.00 C ATOM 759 CD1 TRP A 48 -3.349 -5.807 7.609 1.00 0.00 C ATOM 760 CD2 TRP A 48 -5.019 -5.738 9.095 1.00 0.00 C ATOM 761 NE1 TRP A 48 -2.871 -5.219 8.749 1.00 0.00 N ATOM 762 CE2 TRP A 48 -3.874 -5.161 9.676 1.00 0.00 C ATOM 763 CE3 TRP A 48 -6.196 -5.801 9.845 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -3.872 -4.651 10.970 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -6.193 -5.293 11.129 1.00 0.00 C ATOM 766 CH2 TRP A 48 -5.039 -4.725 11.680 1.00 0.00 C ATOM 0 H TRP A 48 -3.826 -8.788 5.569 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.787 -8.711 7.772 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.268 -6.474 5.771 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.573 -6.504 6.940 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.773 -5.973 6.710 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.919 -4.879 8.885 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.091 -6.239 9.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.983 -4.213 11.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.097 -5.335 11.718 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.070 -4.337 12.687 1.00 0.00 H new ATOM 777 N ASN A 49 -6.158 -8.692 4.489 1.00 0.00 N ATOM 778 CA ASN A 49 -6.993 -9.121 3.378 1.00 0.00 C ATOM 779 C ASN A 49 -6.126 -9.203 2.140 1.00 0.00 C ATOM 780 O ASN A 49 -5.878 -8.199 1.452 1.00 0.00 O ATOM 781 CB ASN A 49 -8.164 -8.138 3.155 1.00 0.00 C ATOM 782 CG ASN A 49 -9.094 -8.553 2.024 1.00 0.00 C ATOM 783 OD1 ASN A 49 -9.238 -9.736 1.724 1.00 0.00 O ATOM 784 ND2 ASN A 49 -9.752 -7.593 1.416 1.00 0.00 N ATOM 0 H ASN A 49 -5.307 -8.210 4.200 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.426 -10.097 3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.740 -8.055 4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.762 -7.148 2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.408 -7.819 0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.607 -6.622 1.692 1.00 0.00 H new ATOM 791 N VAL A 50 -5.591 -10.370 1.910 1.00 0.00 N ATOM 792 CA VAL A 50 -4.657 -10.577 0.828 1.00 0.00 C ATOM 793 C VAL A 50 -5.338 -10.982 -0.490 1.00 0.00 C ATOM 794 O VAL A 50 -4.937 -10.532 -1.555 1.00 0.00 O ATOM 795 CB VAL A 50 -3.534 -11.593 1.228 1.00 0.00 C ATOM 796 CG1 VAL A 50 -4.097 -12.967 1.571 1.00 0.00 C ATOM 797 CG2 VAL A 50 -2.457 -11.692 0.151 1.00 0.00 C ATOM 0 H VAL A 50 -5.786 -11.205 2.463 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.189 -9.610 0.643 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.066 -11.203 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.281 -13.637 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.788 -12.878 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.626 -13.370 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.695 -12.406 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.907 -12.027 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.999 -10.714 0.003 1.00 0.00 H new ATOM 807 N ARG A 51 -6.409 -11.765 -0.402 1.00 0.00 N ATOM 808 CA ARG A 51 -7.034 -12.355 -1.599 1.00 0.00 C ATOM 809 C ARG A 51 -7.906 -11.411 -2.412 1.00 0.00 C ATOM 810 O ARG A 51 -8.477 -11.820 -3.422 1.00 0.00 O ATOM 811 CB ARG A 51 -7.824 -13.618 -1.273 1.00 0.00 C ATOM 812 CG ARG A 51 -6.978 -14.841 -0.977 1.00 0.00 C ATOM 813 CD ARG A 51 -7.852 -16.078 -0.889 1.00 0.00 C ATOM 814 NE ARG A 51 -8.680 -16.236 -2.109 1.00 0.00 N ATOM 815 CZ ARG A 51 -9.602 -17.193 -2.299 1.00 0.00 C ATOM 816 NH1 ARG A 51 -9.721 -18.189 -1.430 1.00 0.00 N ATOM 817 NH2 ARG A 51 -10.390 -17.153 -3.374 1.00 0.00 N ATOM 0 H ARG A 51 -6.866 -12.009 0.477 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.179 -12.602 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.462 -13.418 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.483 -13.844 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.229 -14.971 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.439 -14.701 -0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.226 -16.960 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.498 -16.009 -0.014 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.538 -15.564 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.111 -18.229 -0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.423 -18.914 -1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.292 -16.396 -4.051 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.091 -17.879 -3.520 1.00 0.00 H new ATOM 831 N TYR A 52 -8.034 -10.190 -2.003 1.00 0.00 N ATOM 832 CA TYR A 52 -8.850 -9.281 -2.769 1.00 0.00 C ATOM 833 C TYR A 52 -8.072 -8.362 -3.653 1.00 0.00 C ATOM 834 O TYR A 52 -8.429 -8.221 -4.825 1.00 0.00 O ATOM 835 CB TYR A 52 -9.873 -8.538 -1.925 1.00 0.00 C ATOM 836 CG TYR A 52 -11.095 -9.373 -1.664 1.00 0.00 C ATOM 837 CD1 TYR A 52 -11.122 -10.315 -0.655 1.00 0.00 C ATOM 838 CD2 TYR A 52 -12.215 -9.237 -2.460 1.00 0.00 C ATOM 839 CE1 TYR A 52 -12.231 -11.092 -0.440 1.00 0.00 C ATOM 840 CE2 TYR A 52 -13.327 -10.011 -2.259 1.00 0.00 C ATOM 841 CZ TYR A 52 -13.336 -10.939 -1.248 1.00 0.00 C ATOM 842 OH TYR A 52 -14.459 -11.730 -1.046 1.00 0.00 O ATOM 0 H TYR A 52 -7.600 -9.799 -1.167 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.414 -9.926 -3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -9.421 -8.250 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.163 -7.618 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.255 -10.442 -0.024 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.214 -8.507 -3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -12.238 -11.820 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -14.193 -9.892 -2.893 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.148 -11.493 -1.701 1.00 0.00 H new ATOM 852 N ASP A 53 -6.978 -7.803 -3.120 1.00 0.00 N ATOM 853 CA ASP A 53 -6.175 -6.784 -3.820 1.00 0.00 C ATOM 854 C ASP A 53 -7.037 -5.524 -4.017 1.00 0.00 C ATOM 855 O ASP A 53 -7.945 -5.488 -4.851 1.00 0.00 O ATOM 856 CB ASP A 53 -5.591 -7.294 -5.171 1.00 0.00 C ATOM 857 CG ASP A 53 -4.556 -8.393 -5.057 1.00 0.00 C ATOM 858 OD1 ASP A 53 -3.358 -8.093 -4.842 1.00 0.00 O ATOM 859 OD2 ASP A 53 -4.889 -9.567 -5.253 1.00 0.00 O ATOM 0 H ASP A 53 -6.623 -8.041 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.309 -6.547 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.413 -7.655 -5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.144 -6.450 -5.696 1.00 0.00 H new ATOM 864 N GLU A 54 -6.738 -4.496 -3.273 1.00 0.00 N ATOM 865 CA GLU A 54 -7.605 -3.342 -3.192 1.00 0.00 C ATOM 866 C GLU A 54 -6.898 -2.092 -3.700 1.00 0.00 C ATOM 867 O GLU A 54 -5.676 -1.998 -3.665 1.00 0.00 O ATOM 868 CB GLU A 54 -8.062 -3.177 -1.724 1.00 0.00 C ATOM 869 CG GLU A 54 -9.070 -2.070 -1.466 1.00 0.00 C ATOM 870 CD GLU A 54 -10.336 -2.261 -2.251 1.00 0.00 C ATOM 871 OE1 GLU A 54 -11.270 -2.919 -1.743 1.00 0.00 O ATOM 872 OE2 GLU A 54 -10.421 -1.753 -3.396 1.00 0.00 O ATOM 0 H GLU A 54 -5.892 -4.429 -2.706 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.478 -3.489 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.493 -4.120 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.182 -2.992 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.306 -2.036 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.626 -1.109 -1.725 1.00 0.00 H new ATOM 879 N TRP A 55 -7.675 -1.154 -4.171 1.00 0.00 N ATOM 880 CA TRP A 55 -7.153 0.064 -4.735 1.00 0.00 C ATOM 881 C TRP A 55 -7.240 1.198 -3.736 1.00 0.00 C ATOM 882 O TRP A 55 -8.319 1.487 -3.192 1.00 0.00 O ATOM 883 CB TRP A 55 -7.915 0.437 -5.992 1.00 0.00 C ATOM 884 CG TRP A 55 -7.826 -0.579 -7.094 1.00 0.00 C ATOM 885 CD1 TRP A 55 -8.500 -1.767 -7.177 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.027 -0.488 -8.278 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.184 -2.401 -8.351 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.279 -1.643 -9.040 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.127 0.459 -8.772 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -6.664 -1.874 -10.267 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -5.517 0.227 -9.985 1.00 0.00 C ATOM 892 CH2 TRP A 55 -5.789 -0.928 -10.720 1.00 0.00 C ATOM 0 H TRP A 55 -8.693 -1.213 -4.175 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.106 -0.105 -4.988 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.964 0.587 -5.736 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.538 1.391 -6.362 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.180 -2.148 -6.429 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.564 -3.296 -8.661 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.913 1.358 -8.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.871 -2.767 -10.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.816 0.951 -10.374 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.296 -1.077 -11.669 1.00 0.00 H new ATOM 903 N VAL A 56 -6.127 1.830 -3.500 1.00 0.00 N ATOM 904 CA VAL A 56 -6.031 2.942 -2.579 1.00 0.00 C ATOM 905 C VAL A 56 -5.321 4.082 -3.277 1.00 0.00 C ATOM 906 O VAL A 56 -4.744 3.880 -4.318 1.00 0.00 O ATOM 907 CB VAL A 56 -5.283 2.553 -1.273 1.00 0.00 C ATOM 908 CG1 VAL A 56 -5.974 1.368 -0.617 1.00 0.00 C ATOM 909 CG2 VAL A 56 -3.812 2.235 -1.541 1.00 0.00 C ATOM 0 H VAL A 56 -5.242 1.589 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.037 3.244 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.314 3.407 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.446 1.100 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.003 1.634 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.969 0.519 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.321 1.967 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.741 1.401 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.323 3.110 -1.970 1.00 0.00 H new ATOM 919 N LYS A 57 -5.374 5.265 -2.745 1.00 0.00 N ATOM 920 CA LYS A 57 -4.743 6.383 -3.418 1.00 0.00 C ATOM 921 C LYS A 57 -3.404 6.695 -2.817 1.00 0.00 C ATOM 922 O LYS A 57 -3.059 6.177 -1.760 1.00 0.00 O ATOM 923 CB LYS A 57 -5.642 7.604 -3.407 1.00 0.00 C ATOM 924 CG LYS A 57 -6.954 7.328 -4.055 1.00 0.00 C ATOM 925 CD LYS A 57 -7.893 8.496 -3.987 1.00 0.00 C ATOM 926 CE LYS A 57 -9.294 8.063 -4.358 1.00 0.00 C ATOM 927 NZ LYS A 57 -10.230 9.190 -4.453 1.00 0.00 N ATOM 0 H LYS A 57 -5.836 5.490 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.581 6.095 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.805 7.927 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.146 8.426 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.789 7.060 -5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.417 6.467 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.889 8.917 -2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.557 9.282 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.266 7.538 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.659 7.354 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.206 8.837 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.050 9.857 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.098 9.675 -5.363 1.00 0.00 H new ATOM 941 N ALA A 58 -2.682 7.571 -3.473 1.00 0.00 N ATOM 942 CA ALA A 58 -1.339 7.966 -3.086 1.00 0.00 C ATOM 943 C ALA A 58 -1.305 8.568 -1.686 1.00 0.00 C ATOM 944 O ALA A 58 -0.439 8.237 -0.873 1.00 0.00 O ATOM 945 CB ALA A 58 -0.824 8.945 -4.096 1.00 0.00 C ATOM 0 H ALA A 58 -3.016 8.044 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.703 7.081 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.185 9.254 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.806 8.477 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.476 9.818 -4.122 1.00 0.00 H new ATOM 951 N ASP A 59 -2.283 9.416 -1.403 1.00 0.00 N ATOM 952 CA ASP A 59 -2.430 10.068 -0.085 1.00 0.00 C ATOM 953 C ASP A 59 -2.627 9.040 1.016 1.00 0.00 C ATOM 954 O ASP A 59 -2.239 9.244 2.173 1.00 0.00 O ATOM 955 CB ASP A 59 -3.635 11.030 -0.092 1.00 0.00 C ATOM 956 CG ASP A 59 -3.992 11.554 1.297 1.00 0.00 C ATOM 957 OD1 ASP A 59 -3.327 12.501 1.788 1.00 0.00 O ATOM 958 OD2 ASP A 59 -4.937 11.008 1.939 1.00 0.00 O ATOM 0 H ASP A 59 -3.005 9.680 -2.074 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.514 10.626 0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.415 11.874 -0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.499 10.517 -0.513 1.00 0.00 H new ATOM 963 N ARG A 60 -3.152 7.908 0.635 1.00 0.00 N ATOM 964 CA ARG A 60 -3.532 6.889 1.573 1.00 0.00 C ATOM 965 C ARG A 60 -2.363 5.978 1.879 1.00 0.00 C ATOM 966 O ARG A 60 -2.483 5.077 2.664 1.00 0.00 O ATOM 967 CB ARG A 60 -4.705 6.055 1.013 1.00 0.00 C ATOM 968 CG ARG A 60 -5.836 6.888 0.418 1.00 0.00 C ATOM 969 CD ARG A 60 -6.291 7.998 1.345 1.00 0.00 C ATOM 970 NE ARG A 60 -7.002 7.541 2.523 1.00 0.00 N ATOM 971 CZ ARG A 60 -7.120 8.265 3.644 1.00 0.00 C ATOM 972 NH1 ARG A 60 -6.448 9.419 3.774 1.00 0.00 N ATOM 973 NH2 ARG A 60 -7.910 7.836 4.629 1.00 0.00 N ATOM 0 H ARG A 60 -3.329 7.666 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.846 7.379 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.323 5.381 0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.108 5.433 1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.506 7.321 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.682 6.238 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.419 8.571 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.935 8.679 0.788 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.436 6.618 2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.846 9.746 3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.539 9.969 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.422 6.960 4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.003 8.384 5.484 1.00 0.00 H new ATOM 987 N ILE A 61 -1.238 6.215 1.277 1.00 0.00 N ATOM 988 CA ILE A 61 -0.124 5.333 1.465 1.00 0.00 C ATOM 989 C ILE A 61 0.991 6.021 2.233 1.00 0.00 C ATOM 990 O ILE A 61 1.221 7.227 2.073 1.00 0.00 O ATOM 991 CB ILE A 61 0.392 4.816 0.102 1.00 0.00 C ATOM 992 CG1 ILE A 61 -0.758 4.183 -0.666 1.00 0.00 C ATOM 993 CG2 ILE A 61 1.496 3.796 0.296 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.383 3.687 -2.028 1.00 0.00 C ATOM 0 H ILE A 61 -1.066 7.005 0.655 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.462 4.480 2.054 1.00 0.00 H new ATOM 0 HB ILE A 61 0.795 5.658 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.155 3.351 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.561 4.914 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.843 3.446 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.325 4.255 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.114 2.952 0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.258 3.250 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.015 4.518 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.397 2.931 -1.938 1.00 0.00 H new ATOM 1006 N ILE A 62 1.651 5.270 3.078 1.00 0.00 N ATOM 1007 CA ILE A 62 2.781 5.742 3.832 1.00 0.00 C ATOM 1008 C ILE A 62 4.017 5.087 3.233 1.00 0.00 C ATOM 1009 O ILE A 62 4.212 3.869 3.365 1.00 0.00 O ATOM 1010 CB ILE A 62 2.714 5.355 5.365 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.520 6.002 6.125 1.00 0.00 C ATOM 1012 CG2 ILE A 62 4.023 5.705 6.071 1.00 0.00 C ATOM 1013 CD1 ILE A 62 0.138 5.463 5.793 1.00 0.00 C ATOM 0 H ILE A 62 1.412 4.296 3.263 1.00 0.00 H new ATOM 0 HA ILE A 62 2.798 6.830 3.777 1.00 0.00 H new ATOM 0 HB ILE A 62 2.554 4.277 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.688 5.877 7.195 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.527 7.073 5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.954 5.430 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.844 5.159 5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.206 6.776 5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.610 5.991 6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.066 5.613 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.098 4.398 6.023 1.00 0.00 H new ATOM 1025 N TRP A 63 4.812 5.867 2.557 1.00 0.00 N ATOM 1026 CA TRP A 63 6.005 5.365 1.906 1.00 0.00 C ATOM 1027 C TRP A 63 7.196 5.441 2.846 1.00 0.00 C ATOM 1028 O TRP A 63 7.145 6.178 3.841 1.00 0.00 O ATOM 1029 CB TRP A 63 6.283 6.152 0.618 1.00 0.00 C ATOM 1030 CG TRP A 63 5.204 6.002 -0.396 1.00 0.00 C ATOM 1031 CD1 TRP A 63 4.190 6.869 -0.638 1.00 0.00 C ATOM 1032 CD2 TRP A 63 5.020 4.902 -1.290 1.00 0.00 C ATOM 1033 NE1 TRP A 63 3.383 6.387 -1.629 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.872 5.175 -2.049 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.718 3.712 -1.522 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 3.406 4.306 -3.023 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 5.252 2.848 -2.489 1.00 0.00 C ATOM 1038 CH2 TRP A 63 4.106 3.147 -3.228 1.00 0.00 C ATOM 0 H TRP A 63 4.658 6.868 2.437 1.00 0.00 H new ATOM 0 HA TRP A 63 5.842 4.320 1.643 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.402 7.208 0.862 1.00 0.00 H new ATOM 0 HB3 TRP A 63 7.227 5.816 0.189 1.00 0.00 H new ATOM 0 HD1 TRP A 63 4.042 7.806 -0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.553 6.852 -1.997 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.605 3.475 -0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.522 4.535 -3.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.781 1.926 -2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.764 2.449 -3.978 1.00 0.00 H new ATOM 1049 N PRO A 64 8.267 4.650 2.595 1.00 0.00 N ATOM 1050 CA PRO A 64 9.465 4.702 3.409 1.00 0.00 C ATOM 1051 C PRO A 64 10.157 6.052 3.286 1.00 0.00 C ATOM 1052 O PRO A 64 10.603 6.465 2.200 1.00 0.00 O ATOM 1053 CB PRO A 64 10.354 3.576 2.860 1.00 0.00 C ATOM 1054 CG PRO A 64 9.439 2.724 2.056 1.00 0.00 C ATOM 1055 CD PRO A 64 8.384 3.643 1.527 1.00 0.00 C ATOM 0 HA PRO A 64 9.246 4.577 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.163 3.974 2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.816 3.008 3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.975 2.235 1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.000 1.936 2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.677 4.092 0.578 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.442 3.122 1.356 1.00 0.00 H new ATOM 1063 N LEU A 65 10.240 6.695 4.401 1.00 0.00 N ATOM 1064 CA LEU A 65 10.810 7.989 4.577 1.00 0.00 C ATOM 1065 C LEU A 65 11.352 7.904 5.964 1.00 0.00 C ATOM 1066 O LEU A 65 10.927 7.010 6.713 1.00 0.00 O ATOM 1067 CB LEU A 65 9.671 9.049 4.409 1.00 0.00 C ATOM 1068 CG LEU A 65 10.025 10.556 4.329 1.00 0.00 C ATOM 1069 CD1 LEU A 65 10.342 11.157 5.689 1.00 0.00 C ATOM 1070 CD2 LEU A 65 11.168 10.791 3.352 1.00 0.00 C ATOM 0 H LEU A 65 9.887 6.304 5.274 1.00 0.00 H new ATOM 0 HA LEU A 65 11.585 8.281 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.123 8.796 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.982 8.921 5.244 1.00 0.00 H new ATOM 0 HG LEU A 65 9.137 11.069 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.583 12.214 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.477 11.052 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.194 10.637 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.399 11.855 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.049 10.240 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.876 10.446 2.360 1.00 0.00 H new ATOM 1082 N ASP A 66 12.291 8.725 6.320 1.00 0.00 N ATOM 1083 CA ASP A 66 12.906 8.566 7.598 1.00 0.00 C ATOM 1084 C ASP A 66 12.023 8.962 8.765 1.00 0.00 C ATOM 1085 O ASP A 66 11.880 10.129 9.124 1.00 0.00 O ATOM 1086 CB ASP A 66 14.290 9.170 7.677 1.00 0.00 C ATOM 1087 CG ASP A 66 14.949 8.895 9.022 1.00 0.00 C ATOM 1088 OD1 ASP A 66 15.366 7.742 9.263 1.00 0.00 O ATOM 1089 OD2 ASP A 66 15.060 9.814 9.856 1.00 0.00 O ATOM 0 H ASP A 66 12.642 9.498 5.755 1.00 0.00 H new ATOM 0 HA ASP A 66 13.043 7.489 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.910 8.764 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.227 10.246 7.516 1.00 0.00 H new ATOM 1094 N LYS A 67 11.351 7.960 9.265 1.00 0.00 N ATOM 1095 CA LYS A 67 10.586 8.022 10.498 1.00 0.00 C ATOM 1096 C LYS A 67 11.488 7.536 11.626 1.00 0.00 C ATOM 1097 O LYS A 67 11.080 7.368 12.786 1.00 0.00 O ATOM 1098 CB LYS A 67 9.281 7.162 10.429 1.00 0.00 C ATOM 1099 CG LYS A 67 9.450 5.625 10.440 1.00 0.00 C ATOM 1100 CD LYS A 67 10.166 5.089 9.212 1.00 0.00 C ATOM 1101 CE LYS A 67 10.239 3.564 9.198 1.00 0.00 C ATOM 1102 NZ LYS A 67 8.909 2.921 9.147 1.00 0.00 N ATOM 0 H LYS A 67 11.315 7.045 8.816 1.00 0.00 H new ATOM 0 HA LYS A 67 10.265 9.049 10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.648 7.439 11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.742 7.437 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.006 5.334 11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.467 5.159 10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.650 5.433 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.176 5.498 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.825 3.242 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.767 3.223 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.021 1.909 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.434 3.033 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.335 3.368 8.404 1.00 0.00 H new ATOM 1116 N GLY A 68 12.726 7.324 11.263 1.00 0.00 N ATOM 1117 CA GLY A 68 13.686 6.815 12.149 1.00 0.00 C ATOM 1118 C GLY A 68 14.085 5.440 11.741 1.00 0.00 C ATOM 1119 O GLY A 68 13.661 4.446 12.358 1.00 0.00 O ATOM 0 H GLY A 68 13.080 7.510 10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.560 7.466 12.163 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.284 6.799 13.162 1.00 0.00 H new ATOM 1123 N LEU A 69 14.821 5.354 10.655 1.00 0.00 N ATOM 1124 CA LEU A 69 15.366 4.089 10.228 1.00 0.00 C ATOM 1125 C LEU A 69 16.550 3.771 11.091 1.00 0.00 C ATOM 1126 O LEU A 69 17.069 4.653 11.796 1.00 0.00 O ATOM 1127 CB LEU A 69 15.772 4.067 8.733 1.00 0.00 C ATOM 1128 CG LEU A 69 14.642 3.946 7.688 1.00 0.00 C ATOM 1129 CD1 LEU A 69 13.754 5.167 7.665 1.00 0.00 C ATOM 1130 CD2 LEU A 69 15.221 3.686 6.310 1.00 0.00 C ATOM 0 H LEU A 69 15.054 6.144 10.054 1.00 0.00 H new ATOM 0 HA LEU A 69 14.586 3.335 10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.328 4.980 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 16.459 3.234 8.583 1.00 0.00 H new ATOM 0 HG LEU A 69 14.020 3.099 7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.974 5.036 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.296 5.302 8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.350 6.046 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.411 3.603 5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.877 4.510 6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.792 2.757 6.324 1.00 0.00 H new ATOM 1142 N GLU A 70 16.994 2.564 11.057 1.00 0.00 N ATOM 1143 CA GLU A 70 18.099 2.201 11.872 1.00 0.00 C ATOM 1144 C GLU A 70 19.388 2.539 11.136 1.00 0.00 C ATOM 1145 O GLU A 70 19.935 1.734 10.375 1.00 0.00 O ATOM 1146 CB GLU A 70 18.026 0.741 12.260 1.00 0.00 C ATOM 1147 CG GLU A 70 18.970 0.356 13.368 1.00 0.00 C ATOM 1148 CD GLU A 70 18.853 -1.089 13.703 1.00 0.00 C ATOM 1149 OE1 GLU A 70 17.848 -1.487 14.341 1.00 0.00 O ATOM 1150 OE2 GLU A 70 19.741 -1.867 13.309 1.00 0.00 O ATOM 0 H GLU A 70 16.613 1.816 10.478 1.00 0.00 H new ATOM 0 HA GLU A 70 18.075 2.768 12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.007 0.507 12.567 1.00 0.00 H new ATOM 0 HB3 GLU A 70 18.243 0.131 11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 70 19.994 0.580 13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.758 0.955 14.254 1.00 0.00 H new ATOM 1157 N HIS A 71 19.796 3.773 11.295 1.00 0.00 N ATOM 1158 CA HIS A 71 20.978 4.297 10.646 1.00 0.00 C ATOM 1159 C HIS A 71 22.188 3.915 11.458 1.00 0.00 C ATOM 1160 O HIS A 71 22.415 4.455 12.534 1.00 0.00 O ATOM 1161 CB HIS A 71 20.921 5.836 10.509 1.00 0.00 C ATOM 1162 CG HIS A 71 19.797 6.390 9.682 1.00 0.00 C ATOM 1163 ND1 HIS A 71 19.951 6.866 8.397 1.00 0.00 N ATOM 1164 CD2 HIS A 71 18.502 6.576 9.983 1.00 0.00 C ATOM 1165 CE1 HIS A 71 18.791 7.317 7.959 1.00 0.00 C ATOM 1166 NE2 HIS A 71 17.906 7.145 8.905 1.00 0.00 N ATOM 0 H HIS A 71 19.314 4.452 11.884 1.00 0.00 H new ATOM 0 HA HIS A 71 21.035 3.874 9.643 1.00 0.00 H new ATOM 0 HB2 HIS A 71 20.854 6.266 11.508 1.00 0.00 H new ATOM 0 HB3 HIS A 71 21.863 6.176 10.078 1.00 0.00 H new ATOM 0 HD2 HIS A 71 18.021 6.319 10.915 1.00 0.00 H new ATOM 0 HE1 HIS A 71 18.605 7.752 6.988 1.00 0.00 H new ATOM 0 HE2 HIS A 71 16.920 7.399 8.843 1.00 0.00 H new ATOM 1175 N HIS A 72 22.933 2.962 10.982 1.00 0.00 N ATOM 1176 CA HIS A 72 24.106 2.514 11.696 1.00 0.00 C ATOM 1177 C HIS A 72 25.326 3.306 11.264 1.00 0.00 C ATOM 1178 O HIS A 72 26.145 3.683 12.092 1.00 0.00 O ATOM 1179 CB HIS A 72 24.332 1.006 11.502 1.00 0.00 C ATOM 1180 CG HIS A 72 25.492 0.450 12.295 1.00 0.00 C ATOM 1181 ND1 HIS A 72 25.370 -0.047 13.569 1.00 0.00 N ATOM 1182 CD2 HIS A 72 26.796 0.327 11.974 1.00 0.00 C ATOM 1183 CE1 HIS A 72 26.550 -0.449 13.994 1.00 0.00 C ATOM 1184 NE2 HIS A 72 27.432 -0.232 13.046 1.00 0.00 N ATOM 0 H HIS A 72 22.755 2.476 10.103 1.00 0.00 H new ATOM 0 HA HIS A 72 23.943 2.689 12.759 1.00 0.00 H new ATOM 0 HB2 HIS A 72 23.424 0.474 11.785 1.00 0.00 H new ATOM 0 HB3 HIS A 72 24.501 0.808 10.444 1.00 0.00 H new ATOM 0 HD2 HIS A 72 27.254 0.617 11.040 1.00 0.00 H new ATOM 0 HE1 HIS A 72 26.757 -0.884 14.960 1.00 0.00 H new ATOM 0 HE2 HIS A 72 28.428 -0.446 13.101 1.00 0.00 H new ATOM 1193 N HIS A 73 25.443 3.572 9.967 1.00 0.00 N ATOM 1194 CA HIS A 73 26.611 4.298 9.473 1.00 0.00 C ATOM 1195 C HIS A 73 26.475 5.766 9.832 1.00 0.00 C ATOM 1196 O HIS A 73 27.450 6.437 10.098 1.00 0.00 O ATOM 1197 CB HIS A 73 26.820 4.110 7.965 1.00 0.00 C ATOM 1198 CG HIS A 73 28.166 4.601 7.474 1.00 0.00 C ATOM 1199 ND1 HIS A 73 28.333 5.690 6.657 1.00 0.00 N ATOM 1200 CD2 HIS A 73 29.409 4.123 7.696 1.00 0.00 C ATOM 1201 CE1 HIS A 73 29.610 5.859 6.404 1.00 0.00 C ATOM 1202 NE2 HIS A 73 30.282 4.927 7.022 1.00 0.00 N ATOM 0 H HIS A 73 24.764 3.305 9.254 1.00 0.00 H new ATOM 0 HA HIS A 73 27.499 3.888 9.955 1.00 0.00 H new ATOM 0 HB2 HIS A 73 26.717 3.053 7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 73 26.032 4.639 7.429 1.00 0.00 H new ATOM 0 HD2 HIS A 73 29.665 3.263 8.296 1.00 0.00 H new ATOM 0 HE1 HIS A 73 30.033 6.639 5.788 1.00 0.00 H new ATOM 0 HE2 HIS A 73 31.296 4.817 7.004 1.00 0.00 H new ATOM 1211 N HIS A 74 25.255 6.230 9.843 1.00 0.00 N ATOM 1212 CA HIS A 74 24.925 7.557 10.297 1.00 0.00 C ATOM 1213 C HIS A 74 24.363 7.400 11.697 1.00 0.00 C ATOM 1214 O HIS A 74 23.159 7.397 11.896 1.00 0.00 O ATOM 1215 CB HIS A 74 23.897 8.233 9.327 1.00 0.00 C ATOM 1216 CG HIS A 74 23.414 9.640 9.688 1.00 0.00 C ATOM 1217 ND1 HIS A 74 23.729 10.762 8.951 1.00 0.00 N ATOM 1218 CD2 HIS A 74 22.561 10.074 10.652 1.00 0.00 C ATOM 1219 CE1 HIS A 74 23.097 11.804 9.448 1.00 0.00 C ATOM 1220 NE2 HIS A 74 22.385 11.410 10.474 1.00 0.00 N ATOM 0 H HIS A 74 24.448 5.689 9.532 1.00 0.00 H new ATOM 0 HA HIS A 74 25.800 8.207 10.309 1.00 0.00 H new ATOM 0 HB2 HIS A 74 24.346 8.274 8.335 1.00 0.00 H new ATOM 0 HB3 HIS A 74 23.024 7.584 9.255 1.00 0.00 H new ATOM 0 HD2 HIS A 74 22.105 9.467 11.421 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.156 12.815 9.072 1.00 0.00 H new ATOM 0 HE2 HIS A 74 21.793 12.010 11.048 1.00 0.00 H new ATOM 1229 N HIS A 75 25.243 7.167 12.647 1.00 0.00 N ATOM 1230 CA HIS A 75 24.840 6.961 14.032 1.00 0.00 C ATOM 1231 C HIS A 75 24.347 8.282 14.591 1.00 0.00 C ATOM 1232 O HIS A 75 23.461 8.331 15.446 1.00 0.00 O ATOM 1233 CB HIS A 75 26.012 6.404 14.853 1.00 0.00 C ATOM 1234 CG HIS A 75 25.657 5.991 16.248 1.00 0.00 C ATOM 1235 ND1 HIS A 75 25.222 4.733 16.565 1.00 0.00 N ATOM 1236 CD2 HIS A 75 25.681 6.676 17.412 1.00 0.00 C ATOM 1237 CE1 HIS A 75 24.989 4.653 17.843 1.00 0.00 C ATOM 1238 NE2 HIS A 75 25.261 5.817 18.387 1.00 0.00 N ATOM 0 H HIS A 75 26.249 7.114 12.489 1.00 0.00 H new ATOM 0 HA HIS A 75 24.034 6.229 14.085 1.00 0.00 H new ATOM 0 HB2 HIS A 75 26.429 5.544 14.329 1.00 0.00 H new ATOM 0 HB3 HIS A 75 26.796 7.159 14.901 1.00 0.00 H new ATOM 0 HD2 HIS A 75 25.976 7.706 17.546 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.633 3.778 18.367 1.00 0.00 H new ATOM 0 HE2 HIS A 75 25.173 6.043 19.378 1.00 0.00 H new ATOM 1247 N HIS A 76 24.937 9.330 14.092 1.00 0.00 N ATOM 1248 CA HIS A 76 24.557 10.686 14.352 1.00 0.00 C ATOM 1249 C HIS A 76 25.441 11.526 13.490 1.00 0.00 C ATOM 1250 O HIS A 76 25.063 11.822 12.367 1.00 0.00 O ATOM 1251 CB HIS A 76 24.715 11.093 15.833 1.00 0.00 C ATOM 1252 CG HIS A 76 24.200 12.475 16.121 1.00 0.00 C ATOM 1253 ND1 HIS A 76 24.993 13.594 16.110 1.00 0.00 N ATOM 1254 CD2 HIS A 76 22.955 12.909 16.423 1.00 0.00 C ATOM 1255 CE1 HIS A 76 24.267 14.648 16.387 1.00 0.00 C ATOM 1256 NE2 HIS A 76 23.027 14.265 16.582 1.00 0.00 N ATOM 1257 OXT HIS A 76 26.563 11.813 13.904 1.00 0.00 O ATOM 0 H HIS A 76 25.736 9.257 13.462 1.00 0.00 H new ATOM 0 HA HIS A 76 23.498 10.819 14.131 1.00 0.00 H new ATOM 0 HB2 HIS A 76 24.185 10.376 16.460 1.00 0.00 H new ATOM 0 HB3 HIS A 76 25.768 11.039 16.108 1.00 0.00 H new ATOM 0 HD2 HIS A 76 22.069 12.298 16.520 1.00 0.00 H new ATOM 0 HE1 HIS A 76 24.629 15.664 16.445 1.00 0.00 H new ATOM 0 HE2 HIS A 76 22.246 14.878 16.814 1.00 0.00 H new TER 1266 HIS A 76