USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HE2:sc= -3.73 K(o=-3,f=-9.7!) USER MOD Set 1.2: A 61 TYR OH : rot 116:sc= 1.25 USER MOD Set 1.3: A 63 HIS : no HD1:sc= -0.475 X(o=-3,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0302 (180deg=-0.406) USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= -0.101 (180deg=-0.649) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0841 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -66:sc= 0.181 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.0027) USER MOD Single : A 37 SER OG : rot -9:sc= 2.12 USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.185 (180deg=-0.923) USER MOD Single : A 40 SER OG : rot 180:sc= -0.169 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 47 TYR OH : rot -130:sc= -1.3 USER MOD Single : A 49 HIS : no HE2:sc= -0.25 K(o=-0.25,f=-1.3) USER MOD Single : A 50 SER OG : rot -60:sc= 0.363 USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.12 (180deg=-0.78) USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= -0.122 (180deg=-0.782) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.331 (180deg=-0.816) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= -1.51 (180deg=-1.56) USER MOD Single : A 65 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 71 SER OG : rot 99:sc= 1.17 USER MOD Single : A 73 LYS NZ :NH3+ -118:sc= -0.723 (180deg=-2.54!) USER MOD Single : A 75 THR OG1 : rot -36:sc= 0.0153 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0.632 (180deg=0.484) USER MOD Single : A 82 THR OG1 : rot -140:sc= -0.406 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-3.4) USER MOD Single : A 96 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=-0.066) USER MOD Single : A 97 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.063) USER MOD Single : A 98 HIS : no HD1:sc= -1.02! C(o=-1!,f=-3.1!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=-0.18) USER MOD Single : A 100 HIS : no HD1:sc= -0.639 X(o=-0.64,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.465 0.966 28.377 1.00 1.00 N ATOM 2 CA MET A 1 -11.851 0.119 27.212 1.00 1.00 C ATOM 3 C MET A 1 -11.261 0.725 25.938 1.00 1.00 C ATOM 4 O MET A 1 -10.241 0.259 25.435 1.00 1.00 O ATOM 5 CB MET A 1 -13.385 0.057 27.115 1.00 1.00 C ATOM 6 CG MET A 1 -13.957 -0.654 28.353 1.00 1.00 C ATOM 7 SD MET A 1 -15.764 -0.770 28.216 1.00 1.00 S ATOM 8 CE MET A 1 -16.201 0.837 28.937 1.00 1.00 C ATOM 0 H1 MET A 1 -11.588 0.424 29.256 1.00 1.00 H new ATOM 0 H2 MET A 1 -10.470 1.253 28.283 1.00 1.00 H new ATOM 0 H3 MET A 1 -12.068 1.813 28.405 1.00 1.00 H new ATOM 0 HA MET A 1 -11.465 -0.893 27.338 1.00 1.00 H new ATOM 0 HB2 MET A 1 -13.795 1.064 27.041 1.00 1.00 H new ATOM 0 HB3 MET A 1 -13.680 -0.474 26.210 1.00 1.00 H new ATOM 0 HG2 MET A 1 -13.525 -1.651 28.443 1.00 1.00 H new ATOM 0 HG3 MET A 1 -13.686 -0.107 29.256 1.00 1.00 H new ATOM 0 HE1 MET A 1 -17.285 0.952 28.940 1.00 1.00 H new ATOM 0 HE2 MET A 1 -15.828 0.891 29.960 1.00 1.00 H new ATOM 0 HE3 MET A 1 -15.753 1.635 28.345 1.00 1.00 H new ATOM 20 N VAL A 2 -11.910 1.773 25.426 1.00 1.00 N ATOM 21 CA VAL A 2 -11.439 2.445 24.212 1.00 1.00 C ATOM 22 C VAL A 2 -10.105 3.144 24.480 1.00 1.00 C ATOM 23 O VAL A 2 -9.867 3.634 25.584 1.00 1.00 O ATOM 24 CB VAL A 2 -12.490 3.474 23.736 1.00 1.00 C ATOM 25 CG1 VAL A 2 -13.783 2.743 23.341 1.00 1.00 C ATOM 26 CG2 VAL A 2 -12.795 4.481 24.865 1.00 1.00 C ATOM 0 H VAL A 2 -12.757 2.173 25.829 1.00 1.00 H new ATOM 0 HA VAL A 2 -11.294 1.699 23.430 1.00 1.00 H new ATOM 0 HB VAL A 2 -12.095 4.012 22.874 1.00 1.00 H new ATOM 0 HG11 VAL A 2 -14.524 3.469 23.006 1.00 1.00 H new ATOM 0 HG12 VAL A 2 -13.572 2.041 22.534 1.00 1.00 H new ATOM 0 HG13 VAL A 2 -14.172 2.200 24.202 1.00 1.00 H new ATOM 0 HG21 VAL A 2 -13.536 5.201 24.519 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -13.184 3.948 25.733 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -11.880 5.006 25.141 1.00 1.00 H new ATOM 36 N LYS A 3 -9.236 3.184 23.463 1.00 1.00 N ATOM 37 CA LYS A 3 -7.922 3.829 23.597 1.00 1.00 C ATOM 38 C LYS A 3 -7.422 4.320 22.242 1.00 1.00 C ATOM 39 O LYS A 3 -7.477 5.512 21.941 1.00 1.00 O ATOM 40 CB LYS A 3 -6.918 2.837 24.219 1.00 1.00 C ATOM 41 CG LYS A 3 -5.567 3.528 24.496 1.00 1.00 C ATOM 42 CD LYS A 3 -4.617 2.550 25.204 1.00 1.00 C ATOM 43 CE LYS A 3 -3.286 3.248 25.499 1.00 1.00 C ATOM 44 NZ LYS A 3 -2.678 3.713 24.221 1.00 1.00 N ATOM 0 H LYS A 3 -9.416 2.781 22.544 1.00 1.00 H new ATOM 0 HA LYS A 3 -8.018 4.694 24.253 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -7.324 2.436 25.148 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -6.769 1.993 23.546 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -5.123 3.867 23.560 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.721 4.412 25.115 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -5.067 2.197 26.132 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -4.449 1.674 24.578 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -3.447 4.094 26.167 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -2.609 2.563 26.009 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -1.666 3.905 24.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -2.789 2.976 23.495 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -3.153 4.583 23.907 1.00 1.00 H new ATOM 58 N VAL A 4 -6.922 3.393 21.436 1.00 1.00 N ATOM 59 CA VAL A 4 -6.394 3.732 20.110 1.00 1.00 C ATOM 60 C VAL A 4 -7.539 4.152 19.183 1.00 1.00 C ATOM 61 O VAL A 4 -8.563 3.473 19.100 1.00 1.00 O ATOM 62 CB VAL A 4 -5.647 2.517 19.517 1.00 1.00 C ATOM 63 CG1 VAL A 4 -5.011 2.883 18.156 1.00 1.00 C ATOM 64 CG2 VAL A 4 -4.548 2.071 20.498 1.00 1.00 C ATOM 0 H VAL A 4 -6.868 2.402 21.671 1.00 1.00 H new ATOM 0 HA VAL A 4 -5.696 4.564 20.205 1.00 1.00 H new ATOM 0 HB VAL A 4 -6.357 1.705 19.361 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -4.489 2.015 17.753 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -5.792 3.192 17.461 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -4.303 3.701 18.293 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -4.017 1.213 20.084 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -3.847 2.890 20.656 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -5.001 1.793 21.450 1.00 1.00 H new ATOM 74 N THR A 5 -7.357 5.278 18.489 1.00 1.00 N ATOM 75 CA THR A 5 -8.374 5.791 17.569 1.00 1.00 C ATOM 76 C THR A 5 -8.520 4.866 16.354 1.00 1.00 C ATOM 77 O THR A 5 -9.072 3.772 16.467 1.00 1.00 O ATOM 78 CB THR A 5 -7.991 7.212 17.123 1.00 1.00 C ATOM 79 OG1 THR A 5 -6.759 7.166 16.416 1.00 1.00 O ATOM 80 CG2 THR A 5 -7.843 8.121 18.347 1.00 1.00 C ATOM 0 H THR A 5 -6.515 5.851 18.547 1.00 1.00 H new ATOM 0 HA THR A 5 -9.335 5.824 18.083 1.00 1.00 H new ATOM 0 HB THR A 5 -8.773 7.609 16.476 1.00 1.00 H new ATOM 0 HG1 THR A 5 -6.513 8.070 16.129 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.572 9.126 18.023 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.788 8.157 18.890 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.064 7.728 19.000 1.00 1.00 H new ATOM 88 N TYR A 6 -8.030 5.307 15.187 1.00 1.00 N ATOM 89 CA TYR A 6 -8.124 4.507 13.965 1.00 1.00 C ATOM 90 C TYR A 6 -7.114 3.359 14.010 1.00 1.00 C ATOM 91 O TYR A 6 -5.916 3.579 14.191 1.00 1.00 O ATOM 92 CB TYR A 6 -7.837 5.400 12.751 1.00 1.00 C ATOM 93 CG TYR A 6 -8.878 6.519 12.681 1.00 1.00 C ATOM 94 CD1 TYR A 6 -10.074 6.321 11.980 1.00 1.00 C ATOM 95 CD2 TYR A 6 -8.641 7.742 13.320 1.00 1.00 C ATOM 96 CE1 TYR A 6 -11.029 7.343 11.915 1.00 1.00 C ATOM 97 CE2 TYR A 6 -9.594 8.766 13.256 1.00 1.00 C ATOM 98 CZ TYR A 6 -10.789 8.566 12.555 1.00 1.00 C ATOM 99 OH TYR A 6 -11.728 9.575 12.491 1.00 1.00 O ATOM 0 H TYR A 6 -7.568 6.208 15.067 1.00 1.00 H new ATOM 0 HA TYR A 6 -9.128 4.090 13.885 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -6.836 5.825 12.827 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -7.863 4.807 11.836 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -10.260 5.378 11.488 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -7.721 7.896 13.864 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -11.950 7.189 11.372 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -9.407 9.710 13.747 1.00 1.00 H new ATOM 0 HH TYR A 6 -11.405 10.355 12.989 1.00 1.00 H new ATOM 109 N ASP A 7 -7.610 2.131 13.846 1.00 1.00 N ATOM 110 CA ASP A 7 -6.752 0.946 13.872 1.00 1.00 C ATOM 111 C ASP A 7 -5.864 0.895 12.629 1.00 1.00 C ATOM 112 O ASP A 7 -4.682 1.225 12.685 1.00 1.00 O ATOM 113 CB ASP A 7 -7.631 -0.316 13.936 1.00 1.00 C ATOM 114 CG ASP A 7 -8.457 -0.316 15.222 1.00 1.00 C ATOM 115 OD1 ASP A 7 -7.966 0.185 16.220 1.00 1.00 O ATOM 116 OD2 ASP A 7 -9.569 -0.817 15.189 1.00 1.00 O ATOM 0 H ASP A 7 -8.599 1.932 13.694 1.00 1.00 H new ATOM 0 HA ASP A 7 -6.110 0.994 14.751 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -8.292 -0.353 13.070 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -7.005 -1.207 13.897 1.00 1.00 H new ATOM 121 N GLY A 8 -6.447 0.472 11.509 1.00 1.00 N ATOM 122 CA GLY A 8 -5.711 0.365 10.250 1.00 1.00 C ATOM 123 C GLY A 8 -6.514 -0.445 9.247 1.00 1.00 C ATOM 124 O GLY A 8 -7.646 -0.840 9.529 1.00 1.00 O ATOM 0 H GLY A 8 -7.427 0.198 11.447 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -5.511 1.359 9.850 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -4.745 -0.109 10.423 1.00 1.00 H new ATOM 128 N VAL A 9 -5.916 -0.706 8.075 1.00 1.00 N ATOM 129 CA VAL A 9 -6.564 -1.495 7.006 1.00 1.00 C ATOM 130 C VAL A 9 -5.811 -2.819 6.842 1.00 1.00 C ATOM 131 O VAL A 9 -4.590 -2.848 6.779 1.00 1.00 O ATOM 132 CB VAL A 9 -6.564 -0.692 5.679 1.00 1.00 C ATOM 133 CG1 VAL A 9 -7.498 0.523 5.810 1.00 1.00 C ATOM 134 CG2 VAL A 9 -5.144 -0.204 5.345 1.00 1.00 C ATOM 0 H VAL A 9 -4.978 -0.381 7.839 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.600 -1.704 7.273 1.00 1.00 H new ATOM 0 HB VAL A 9 -6.913 -1.344 4.879 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.496 1.086 4.876 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -8.510 0.182 6.026 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.150 1.164 6.620 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -5.163 0.357 4.411 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -4.782 0.439 6.148 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.480 -1.062 5.240 1.00 1.00 H new ATOM 144 N TYR A 10 -6.552 -3.928 6.819 1.00 1.00 N ATOM 145 CA TYR A 10 -5.951 -5.264 6.712 1.00 1.00 C ATOM 146 C TYR A 10 -5.772 -5.636 5.239 1.00 1.00 C ATOM 147 O TYR A 10 -6.660 -5.412 4.419 1.00 1.00 O ATOM 148 CB TYR A 10 -6.892 -6.293 7.401 1.00 1.00 C ATOM 149 CG TYR A 10 -6.719 -6.293 8.932 1.00 1.00 C ATOM 150 CD1 TYR A 10 -6.980 -5.128 9.663 1.00 1.00 C ATOM 151 CD2 TYR A 10 -6.318 -7.459 9.597 1.00 1.00 C ATOM 152 CE1 TYR A 10 -6.839 -5.128 11.056 1.00 1.00 C ATOM 153 CE2 TYR A 10 -6.178 -7.459 10.989 1.00 1.00 C ATOM 154 CZ TYR A 10 -6.439 -6.294 11.720 1.00 1.00 C ATOM 155 OH TYR A 10 -6.300 -6.294 13.093 1.00 1.00 O ATOM 0 H TYR A 10 -7.571 -3.930 6.873 1.00 1.00 H new ATOM 0 HA TYR A 10 -4.975 -5.269 7.198 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -7.928 -6.061 7.153 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -6.686 -7.290 7.012 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -7.290 -4.229 9.152 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -6.117 -8.359 9.035 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -7.039 -4.228 11.619 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -5.868 -8.359 11.500 1.00 1.00 H new ATOM 0 HH TYR A 10 -6.017 -7.183 13.393 1.00 1.00 H new ATOM 165 N VAL A 11 -4.608 -6.225 4.925 1.00 1.00 N ATOM 166 CA VAL A 11 -4.292 -6.658 3.558 1.00 1.00 C ATOM 167 C VAL A 11 -4.761 -8.103 3.376 1.00 1.00 C ATOM 168 O VAL A 11 -4.416 -8.980 4.170 1.00 1.00 O ATOM 169 CB VAL A 11 -2.774 -6.548 3.304 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.444 -6.967 1.855 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.334 -5.091 3.531 1.00 1.00 C ATOM 0 H VAL A 11 -3.869 -6.412 5.603 1.00 1.00 H new ATOM 0 HA VAL A 11 -4.804 -6.017 2.840 1.00 1.00 H new ATOM 0 HB VAL A 11 -2.244 -7.209 3.990 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.370 -6.885 1.688 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.759 -7.998 1.694 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -2.970 -6.314 1.159 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.262 -5.003 3.354 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -2.870 -4.438 2.843 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.557 -4.799 4.557 1.00 1.00 H new ATOM 181 N LEU A 12 -5.550 -8.349 2.322 1.00 1.00 N ATOM 182 CA LEU A 12 -6.070 -9.692 2.031 1.00 1.00 C ATOM 183 C LEU A 12 -5.026 -10.543 1.314 1.00 1.00 C ATOM 184 O LEU A 12 -4.840 -11.716 1.634 1.00 1.00 O ATOM 185 CB LEU A 12 -7.338 -9.574 1.160 1.00 1.00 C ATOM 186 CG LEU A 12 -7.999 -10.962 0.895 1.00 1.00 C ATOM 187 CD1 LEU A 12 -8.424 -11.664 2.220 1.00 1.00 C ATOM 188 CD2 LEU A 12 -9.231 -10.757 -0.011 1.00 1.00 C ATOM 0 H LEU A 12 -5.843 -7.634 1.656 1.00 1.00 H new ATOM 0 HA LEU A 12 -6.314 -10.180 2.974 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -8.056 -8.919 1.653 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -7.082 -9.107 0.209 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.269 -11.607 0.407 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -8.880 -12.627 1.991 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -7.546 -11.818 2.848 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -9.143 -11.038 2.749 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -9.704 -11.720 -0.205 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -9.942 -10.097 0.486 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -8.918 -10.309 -0.954 1.00 1.00 H new ATOM 200 N SER A 13 -4.356 -9.947 0.326 1.00 1.00 N ATOM 201 CA SER A 13 -3.344 -10.668 -0.451 1.00 1.00 C ATOM 202 C SER A 13 -2.450 -9.705 -1.217 1.00 1.00 C ATOM 203 O SER A 13 -2.833 -8.573 -1.511 1.00 1.00 O ATOM 204 CB SER A 13 -4.024 -11.611 -1.446 1.00 1.00 C ATOM 205 OG SER A 13 -3.030 -12.305 -2.189 1.00 1.00 O ATOM 0 H SER A 13 -4.493 -8.976 0.046 1.00 1.00 H new ATOM 0 HA SER A 13 -2.731 -11.238 0.247 1.00 1.00 H new ATOM 0 HB2 SER A 13 -4.660 -12.320 -0.916 1.00 1.00 H new ATOM 0 HB3 SER A 13 -4.669 -11.045 -2.119 1.00 1.00 H new ATOM 0 HG SER A 13 -3.462 -12.911 -2.826 1.00 1.00 H new ATOM 211 N VAL A 14 -1.251 -10.190 -1.546 1.00 1.00 N ATOM 212 CA VAL A 14 -0.250 -9.420 -2.296 1.00 1.00 C ATOM 213 C VAL A 14 0.391 -10.321 -3.359 1.00 1.00 C ATOM 214 O VAL A 14 0.752 -11.466 -3.088 1.00 1.00 O ATOM 215 CB VAL A 14 0.830 -8.863 -1.323 1.00 1.00 C ATOM 216 CG1 VAL A 14 1.313 -9.980 -0.383 1.00 1.00 C ATOM 217 CG2 VAL A 14 2.044 -8.271 -2.109 1.00 1.00 C ATOM 0 H VAL A 14 -0.944 -11.131 -1.300 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.731 -8.577 -2.791 1.00 1.00 H new ATOM 0 HB VAL A 14 0.379 -8.062 -0.737 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.069 -9.583 0.295 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.470 -10.359 0.195 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.743 -10.790 -0.972 1.00 1.00 H new ATOM 0 HG21 VAL A 14 2.783 -7.889 -1.404 1.00 1.00 H new ATOM 0 HG22 VAL A 14 2.496 -9.051 -2.722 1.00 1.00 H new ATOM 0 HG23 VAL A 14 1.701 -7.459 -2.750 1.00 1.00 H new ATOM 227 N LYS A 15 0.527 -9.791 -4.573 1.00 1.00 N ATOM 228 CA LYS A 15 1.126 -10.541 -5.680 1.00 1.00 C ATOM 229 C LYS A 15 2.646 -10.577 -5.498 1.00 1.00 C ATOM 230 O LYS A 15 3.201 -9.783 -4.743 1.00 1.00 O ATOM 231 CB LYS A 15 0.733 -9.887 -7.024 1.00 1.00 C ATOM 232 CG LYS A 15 -0.789 -9.608 -7.087 1.00 1.00 C ATOM 233 CD LYS A 15 -1.602 -10.915 -6.991 1.00 1.00 C ATOM 234 CE LYS A 15 -3.093 -10.617 -7.177 1.00 1.00 C ATOM 235 NZ LYS A 15 -3.853 -11.896 -7.108 1.00 1.00 N ATOM 0 H LYS A 15 0.231 -8.846 -4.817 1.00 1.00 H new ATOM 0 HA LYS A 15 0.755 -11.566 -5.685 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.282 -8.954 -7.152 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.020 -10.541 -7.847 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.073 -8.940 -6.274 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -1.029 -9.095 -8.019 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.265 -11.619 -7.752 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -1.435 -11.387 -6.023 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -3.439 -9.931 -6.404 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -3.263 -10.129 -8.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -4.867 -11.704 -7.233 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -3.526 -12.535 -7.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -3.697 -12.343 -6.182 1.00 1.00 H new ATOM 249 N GLU A 16 3.313 -11.534 -6.159 1.00 1.00 N ATOM 250 CA GLU A 16 4.779 -11.700 -6.037 1.00 1.00 C ATOM 251 C GLU A 16 5.523 -11.062 -7.221 1.00 1.00 C ATOM 252 O GLU A 16 6.752 -11.016 -7.224 1.00 1.00 O ATOM 253 CB GLU A 16 5.113 -13.202 -5.962 1.00 1.00 C ATOM 254 CG GLU A 16 4.472 -13.816 -4.704 1.00 1.00 C ATOM 255 CD GLU A 16 4.798 -15.310 -4.602 1.00 1.00 C ATOM 256 OE1 GLU A 16 5.545 -15.802 -5.432 1.00 1.00 O ATOM 257 OE2 GLU A 16 4.307 -15.942 -3.682 1.00 1.00 O ATOM 0 H GLU A 16 2.867 -12.206 -6.783 1.00 1.00 H new ATOM 0 HA GLU A 16 5.106 -11.194 -5.129 1.00 1.00 H new ATOM 0 HB2 GLU A 16 4.746 -13.711 -6.854 1.00 1.00 H new ATOM 0 HB3 GLU A 16 6.194 -13.343 -5.937 1.00 1.00 H new ATOM 0 HG2 GLU A 16 4.835 -13.298 -3.816 1.00 1.00 H new ATOM 0 HG3 GLU A 16 3.391 -13.676 -4.736 1.00 1.00 H new ATOM 264 N ASP A 17 4.774 -10.570 -8.220 1.00 1.00 N ATOM 265 CA ASP A 17 5.365 -9.931 -9.424 1.00 1.00 C ATOM 266 C ASP A 17 5.168 -8.410 -9.389 1.00 1.00 C ATOM 267 O ASP A 17 5.070 -7.769 -10.436 1.00 1.00 O ATOM 268 CB ASP A 17 4.705 -10.508 -10.688 1.00 1.00 C ATOM 269 CG ASP A 17 3.198 -10.266 -10.672 1.00 1.00 C ATOM 270 OD1 ASP A 17 2.641 -10.183 -9.589 1.00 1.00 O ATOM 271 OD2 ASP A 17 2.623 -10.169 -11.744 1.00 1.00 O ATOM 0 H ASP A 17 3.754 -10.599 -8.225 1.00 1.00 H new ATOM 0 HA ASP A 17 6.435 -10.140 -9.437 1.00 1.00 H new ATOM 0 HB2 ASP A 17 5.142 -10.048 -11.574 1.00 1.00 H new ATOM 0 HB3 ASP A 17 4.905 -11.577 -10.752 1.00 1.00 H new ATOM 276 N VAL A 18 5.101 -7.853 -8.175 1.00 1.00 N ATOM 277 CA VAL A 18 4.900 -6.400 -7.960 1.00 1.00 C ATOM 278 C VAL A 18 5.948 -5.877 -6.956 1.00 1.00 C ATOM 279 O VAL A 18 6.468 -6.663 -6.164 1.00 1.00 O ATOM 280 CB VAL A 18 3.463 -6.185 -7.419 1.00 1.00 C ATOM 281 CG1 VAL A 18 2.445 -6.573 -8.505 1.00 1.00 C ATOM 282 CG2 VAL A 18 3.240 -7.055 -6.170 1.00 1.00 C ATOM 0 H VAL A 18 5.183 -8.388 -7.310 1.00 1.00 H new ATOM 0 HA VAL A 18 5.022 -5.851 -8.894 1.00 1.00 H new ATOM 0 HB VAL A 18 3.331 -5.136 -7.153 1.00 1.00 H new ATOM 0 HG11 VAL A 18 1.434 -6.423 -8.126 1.00 1.00 H new ATOM 0 HG12 VAL A 18 2.599 -5.951 -9.387 1.00 1.00 H new ATOM 0 HG13 VAL A 18 2.580 -7.621 -8.772 1.00 1.00 H new ATOM 0 HG21 VAL A 18 2.229 -6.900 -5.794 1.00 1.00 H new ATOM 0 HG22 VAL A 18 3.373 -8.105 -6.430 1.00 1.00 H new ATOM 0 HG23 VAL A 18 3.960 -6.777 -5.400 1.00 1.00 H new ATOM 292 N PRO A 19 6.284 -4.591 -6.958 1.00 1.00 N ATOM 293 CA PRO A 19 7.309 -4.040 -6.003 1.00 1.00 C ATOM 294 C PRO A 19 6.944 -4.316 -4.543 1.00 1.00 C ATOM 295 O PRO A 19 7.806 -4.308 -3.671 1.00 1.00 O ATOM 296 CB PRO A 19 7.330 -2.511 -6.327 1.00 1.00 C ATOM 297 CG PRO A 19 6.013 -2.260 -7.003 1.00 1.00 C ATOM 298 CD PRO A 19 5.769 -3.515 -7.842 1.00 1.00 C ATOM 0 HA PRO A 19 8.287 -4.506 -6.124 1.00 1.00 H new ATOM 0 HB2 PRO A 19 7.433 -1.913 -5.421 1.00 1.00 H new ATOM 0 HB3 PRO A 19 8.167 -2.253 -6.976 1.00 1.00 H new ATOM 0 HG2 PRO A 19 5.216 -2.108 -6.275 1.00 1.00 H new ATOM 0 HG3 PRO A 19 6.051 -1.367 -7.626 1.00 1.00 H new ATOM 0 HD2 PRO A 19 4.713 -3.650 -8.074 1.00 1.00 H new ATOM 0 HD3 PRO A 19 6.302 -3.479 -8.792 1.00 1.00 H new ATOM 306 N ALA A 20 5.668 -4.553 -4.281 1.00 1.00 N ATOM 307 CA ALA A 20 5.207 -4.818 -2.918 1.00 1.00 C ATOM 308 C ALA A 20 5.855 -6.093 -2.370 1.00 1.00 C ATOM 309 O ALA A 20 6.006 -6.261 -1.160 1.00 1.00 O ATOM 310 CB ALA A 20 3.664 -4.966 -2.929 1.00 1.00 C ATOM 0 H ALA A 20 4.933 -4.568 -4.988 1.00 1.00 H new ATOM 0 HA ALA A 20 5.493 -3.988 -2.272 1.00 1.00 H new ATOM 0 HB1 ALA A 20 3.310 -5.164 -1.917 1.00 1.00 H new ATOM 0 HB2 ALA A 20 3.213 -4.045 -3.298 1.00 1.00 H new ATOM 0 HB3 ALA A 20 3.383 -5.794 -3.580 1.00 1.00 H new ATOM 316 N ALA A 21 6.214 -6.991 -3.281 1.00 1.00 N ATOM 317 CA ALA A 21 6.822 -8.262 -2.917 1.00 1.00 C ATOM 318 C ALA A 21 8.220 -8.051 -2.327 1.00 1.00 C ATOM 319 O ALA A 21 9.082 -7.434 -2.952 1.00 1.00 O ATOM 320 CB ALA A 21 6.903 -9.148 -4.181 1.00 1.00 C ATOM 0 H ALA A 21 6.092 -6.858 -4.285 1.00 1.00 H new ATOM 0 HA ALA A 21 6.212 -8.750 -2.156 1.00 1.00 H new ATOM 0 HB1 ALA A 21 7.357 -10.106 -3.926 1.00 1.00 H new ATOM 0 HB2 ALA A 21 5.900 -9.315 -4.573 1.00 1.00 H new ATOM 0 HB3 ALA A 21 7.510 -8.649 -4.937 1.00 1.00 H new ATOM 326 N GLY A 22 8.434 -8.585 -1.124 1.00 1.00 N ATOM 327 CA GLY A 22 9.733 -8.481 -0.434 1.00 1.00 C ATOM 328 C GLY A 22 9.755 -7.310 0.540 1.00 1.00 C ATOM 329 O GLY A 22 10.633 -7.232 1.400 1.00 1.00 O ATOM 0 H GLY A 22 7.725 -9.098 -0.600 1.00 1.00 H new ATOM 0 HA2 GLY A 22 9.936 -9.407 0.104 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.528 -8.359 -1.169 1.00 1.00 H new ATOM 333 N ILE A 23 8.786 -6.396 0.394 1.00 1.00 N ATOM 334 CA ILE A 23 8.680 -5.201 1.262 1.00 1.00 C ATOM 335 C ILE A 23 7.415 -5.284 2.115 1.00 1.00 C ATOM 336 O ILE A 23 7.472 -5.091 3.329 1.00 1.00 O ATOM 337 CB ILE A 23 8.651 -3.930 0.380 1.00 1.00 C ATOM 338 CG1 ILE A 23 9.946 -3.876 -0.483 1.00 1.00 C ATOM 339 CG2 ILE A 23 8.567 -2.664 1.268 1.00 1.00 C ATOM 340 CD1 ILE A 23 9.855 -2.743 -1.514 1.00 1.00 C ATOM 0 H ILE A 23 8.058 -6.456 -0.318 1.00 1.00 H new ATOM 0 HA ILE A 23 9.542 -5.157 1.927 1.00 1.00 H new ATOM 0 HB ILE A 23 7.775 -3.964 -0.268 1.00 1.00 H new ATOM 0 HG12 ILE A 23 10.813 -3.723 0.160 1.00 1.00 H new ATOM 0 HG13 ILE A 23 10.091 -4.829 -0.992 1.00 1.00 H new ATOM 0 HG21 ILE A 23 8.547 -1.777 0.635 1.00 1.00 H new ATOM 0 HG22 ILE A 23 7.659 -2.701 1.870 1.00 1.00 H new ATOM 0 HG23 ILE A 23 9.436 -2.622 1.925 1.00 1.00 H new ATOM 0 HD11 ILE A 23 10.768 -2.719 -2.109 1.00 1.00 H new ATOM 0 HD12 ILE A 23 9.000 -2.914 -2.168 1.00 1.00 H new ATOM 0 HD13 ILE A 23 9.733 -1.791 -0.998 1.00 1.00 H new ATOM 352 N LEU A 24 6.271 -5.561 1.468 1.00 1.00 N ATOM 353 CA LEU A 24 4.967 -5.662 2.156 1.00 1.00 C ATOM 354 C LEU A 24 4.495 -7.112 2.148 1.00 1.00 C ATOM 355 O LEU A 24 4.770 -7.864 1.214 1.00 1.00 O ATOM 356 CB LEU A 24 3.935 -4.749 1.429 1.00 1.00 C ATOM 357 CG LEU A 24 4.140 -3.235 1.807 1.00 1.00 C ATOM 358 CD1 LEU A 24 3.578 -2.320 0.695 1.00 1.00 C ATOM 359 CD2 LEU A 24 3.414 -2.903 3.139 1.00 1.00 C ATOM 0 H LEU A 24 6.220 -5.721 0.462 1.00 1.00 H new ATOM 0 HA LEU A 24 5.066 -5.335 3.191 1.00 1.00 H new ATOM 0 HB2 LEU A 24 4.034 -4.873 0.351 1.00 1.00 H new ATOM 0 HB3 LEU A 24 2.924 -5.058 1.694 1.00 1.00 H new ATOM 0 HG LEU A 24 5.210 -3.061 1.920 1.00 1.00 H new ATOM 0 HD11 LEU A 24 3.728 -1.277 0.972 1.00 1.00 H new ATOM 0 HD12 LEU A 24 4.097 -2.525 -0.241 1.00 1.00 H new ATOM 0 HD13 LEU A 24 2.513 -2.513 0.569 1.00 1.00 H new ATOM 0 HD21 LEU A 24 3.567 -1.852 3.384 1.00 1.00 H new ATOM 0 HD22 LEU A 24 2.347 -3.099 3.031 1.00 1.00 H new ATOM 0 HD23 LEU A 24 3.818 -3.525 3.938 1.00 1.00 H new ATOM 371 N HIS A 25 3.781 -7.491 3.210 1.00 1.00 N ATOM 372 CA HIS A 25 3.256 -8.856 3.359 1.00 1.00 C ATOM 373 C HIS A 25 1.882 -8.819 4.029 1.00 1.00 C ATOM 374 O HIS A 25 1.537 -7.862 4.721 1.00 1.00 O ATOM 375 CB HIS A 25 4.249 -9.710 4.183 1.00 1.00 C ATOM 376 CG HIS A 25 4.737 -8.922 5.366 1.00 1.00 C ATOM 377 ND1 HIS A 25 5.682 -7.918 5.236 1.00 1.00 N ATOM 378 CD2 HIS A 25 4.447 -8.990 6.708 1.00 1.00 C ATOM 379 CE1 HIS A 25 5.922 -7.429 6.464 1.00 1.00 C ATOM 380 NE2 HIS A 25 5.198 -8.043 7.403 1.00 1.00 N ATOM 0 H HIS A 25 3.550 -6.870 3.985 1.00 1.00 H new ATOM 0 HA HIS A 25 3.142 -9.310 2.375 1.00 1.00 H new ATOM 0 HB2 HIS A 25 3.763 -10.626 4.520 1.00 1.00 H new ATOM 0 HB3 HIS A 25 5.092 -10.007 3.559 1.00 1.00 H new ATOM 0 HD1 HIS A 25 6.116 -7.607 4.367 1.00 1.00 H new ATOM 0 HD2 HIS A 25 3.743 -9.675 7.157 1.00 1.00 H new ATOM 0 HE1 HIS A 25 6.620 -6.631 6.668 1.00 1.00 H new ATOM 389 N ALA A 26 1.098 -9.869 3.798 1.00 1.00 N ATOM 390 CA ALA A 26 -0.248 -9.961 4.359 1.00 1.00 C ATOM 391 C ALA A 26 -0.229 -9.826 5.884 1.00 1.00 C ATOM 392 O ALA A 26 0.686 -10.315 6.548 1.00 1.00 O ATOM 393 CB ALA A 26 -0.882 -11.303 3.968 1.00 1.00 C ATOM 0 H ALA A 26 1.371 -10.668 3.226 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.839 -9.140 3.953 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.886 -11.367 4.388 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.938 -11.376 2.882 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -0.273 -12.120 4.356 1.00 1.00 H new ATOM 399 N GLY A 27 -1.257 -9.162 6.432 1.00 1.00 N ATOM 400 CA GLY A 27 -1.380 -8.957 7.886 1.00 1.00 C ATOM 401 C GLY A 27 -0.811 -7.606 8.316 1.00 1.00 C ATOM 402 O GLY A 27 -0.904 -7.234 9.486 1.00 1.00 O ATOM 0 H GLY A 27 -2.019 -8.756 5.889 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -2.429 -9.019 8.175 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -0.857 -9.756 8.412 1.00 1.00 H new ATOM 406 N ASP A 28 -0.216 -6.867 7.374 1.00 1.00 N ATOM 407 CA ASP A 28 0.369 -5.552 7.679 1.00 1.00 C ATOM 408 C ASP A 28 -0.712 -4.476 7.663 1.00 1.00 C ATOM 409 O ASP A 28 -1.398 -4.302 6.657 1.00 1.00 O ATOM 410 CB ASP A 28 1.442 -5.222 6.627 1.00 1.00 C ATOM 411 CG ASP A 28 2.575 -6.252 6.682 1.00 1.00 C ATOM 412 OD1 ASP A 28 2.393 -7.272 7.325 1.00 1.00 O ATOM 413 OD2 ASP A 28 3.608 -5.998 6.082 1.00 1.00 O ATOM 0 H ASP A 28 -0.126 -7.152 6.399 1.00 1.00 H new ATOM 0 HA ASP A 28 0.819 -5.581 8.671 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.996 -5.215 5.632 1.00 1.00 H new ATOM 0 HB3 ASP A 28 1.840 -4.223 6.805 1.00 1.00 H new ATOM 418 N LEU A 29 -0.863 -3.746 8.783 1.00 1.00 N ATOM 419 CA LEU A 29 -1.871 -2.677 8.877 1.00 1.00 C ATOM 420 C LEU A 29 -1.214 -1.325 8.611 1.00 1.00 C ATOM 421 O LEU A 29 -0.278 -0.938 9.311 1.00 1.00 O ATOM 422 CB LEU A 29 -2.503 -2.675 10.297 1.00 1.00 C ATOM 423 CG LEU A 29 -2.888 -4.109 10.729 1.00 1.00 C ATOM 424 CD1 LEU A 29 -3.615 -4.058 12.085 1.00 1.00 C ATOM 425 CD2 LEU A 29 -3.785 -4.792 9.664 1.00 1.00 C ATOM 0 H LEU A 29 -0.305 -3.876 9.627 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.649 -2.854 8.135 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -1.798 -2.252 11.013 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -3.387 -2.038 10.305 1.00 1.00 H new ATOM 0 HG LEU A 29 -1.977 -4.700 10.826 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -3.887 -5.068 12.390 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -2.957 -3.617 12.834 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -4.516 -3.452 11.992 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -4.040 -5.799 9.995 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -4.698 -4.212 9.531 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -3.248 -4.846 8.717 1.00 1.00 H new ATOM 437 N ILE A 30 -1.694 -0.606 7.587 1.00 1.00 N ATOM 438 CA ILE A 30 -1.128 0.693 7.235 1.00 1.00 C ATOM 439 C ILE A 30 -1.641 1.744 8.225 1.00 1.00 C ATOM 440 O ILE A 30 -2.846 1.867 8.445 1.00 1.00 O ATOM 441 CB ILE A 30 -1.535 1.080 5.778 1.00 1.00 C ATOM 442 CG1 ILE A 30 -1.375 -0.143 4.829 1.00 1.00 C ATOM 443 CG2 ILE A 30 -0.664 2.255 5.274 1.00 1.00 C ATOM 444 CD1 ILE A 30 0.044 -0.723 4.857 1.00 1.00 C ATOM 0 H ILE A 30 -2.469 -0.904 6.994 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.040 0.644 7.286 1.00 1.00 H new ATOM 0 HB ILE A 30 -2.580 1.389 5.781 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -2.087 -0.917 5.115 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -1.622 0.156 3.810 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -0.957 2.515 4.257 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -0.805 3.118 5.925 1.00 1.00 H new ATOM 0 HG23 ILE A 30 0.385 1.961 5.285 1.00 1.00 H new ATOM 0 HD11 ILE A 30 0.103 -1.574 4.178 1.00 1.00 H new ATOM 0 HD12 ILE A 30 0.756 0.041 4.544 1.00 1.00 H new ATOM 0 HD13 ILE A 30 0.284 -1.049 5.869 1.00 1.00 H new ATOM 456 N THR A 31 -0.716 2.493 8.822 1.00 1.00 N ATOM 457 CA THR A 31 -1.076 3.532 9.791 1.00 1.00 C ATOM 458 C THR A 31 -1.589 4.777 9.079 1.00 1.00 C ATOM 459 O THR A 31 -2.660 5.290 9.402 1.00 1.00 O ATOM 460 CB THR A 31 0.157 3.889 10.637 1.00 1.00 C ATOM 461 OG1 THR A 31 1.198 4.339 9.782 1.00 1.00 O ATOM 462 CG2 THR A 31 0.630 2.653 11.416 1.00 1.00 C ATOM 0 H THR A 31 0.286 2.402 8.654 1.00 1.00 H new ATOM 0 HA THR A 31 -1.869 3.152 10.436 1.00 1.00 H new ATOM 0 HB THR A 31 -0.105 4.677 11.343 1.00 1.00 H new ATOM 0 HG1 THR A 31 1.499 3.598 9.215 1.00 1.00 H new ATOM 0 HG21 THR A 31 1.504 2.912 12.014 1.00 1.00 H new ATOM 0 HG22 THR A 31 -0.169 2.309 12.072 1.00 1.00 H new ATOM 0 HG23 THR A 31 0.892 1.860 10.716 1.00 1.00 H new ATOM 470 N GLU A 32 -0.813 5.270 8.114 1.00 1.00 N ATOM 471 CA GLU A 32 -1.185 6.478 7.363 1.00 1.00 C ATOM 472 C GLU A 32 -0.510 6.469 5.996 1.00 1.00 C ATOM 473 O GLU A 32 0.416 5.697 5.751 1.00 1.00 O ATOM 474 CB GLU A 32 -0.783 7.756 8.180 1.00 1.00 C ATOM 475 CG GLU A 32 -2.028 8.529 8.661 1.00 1.00 C ATOM 476 CD GLU A 32 -1.631 9.741 9.514 1.00 1.00 C ATOM 477 OE1 GLU A 32 -0.451 9.906 9.777 1.00 1.00 O ATOM 478 OE2 GLU A 32 -2.520 10.486 9.891 1.00 1.00 O ATOM 0 H GLU A 32 0.075 4.856 7.831 1.00 1.00 H new ATOM 0 HA GLU A 32 -2.264 6.493 7.210 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -0.178 7.466 9.039 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -0.165 8.407 7.561 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.609 8.861 7.800 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.669 7.866 9.242 1.00 1.00 H new ATOM 485 N ILE A 33 -0.991 7.358 5.121 1.00 1.00 N ATOM 486 CA ILE A 33 -0.456 7.507 3.756 1.00 1.00 C ATOM 487 C ILE A 33 -0.252 8.995 3.433 1.00 1.00 C ATOM 488 O ILE A 33 -1.173 9.799 3.548 1.00 1.00 O ATOM 489 CB ILE A 33 -1.452 6.813 2.744 1.00 1.00 C ATOM 490 CG1 ILE A 33 -1.003 5.345 2.463 1.00 1.00 C ATOM 491 CG2 ILE A 33 -1.602 7.577 1.401 1.00 1.00 C ATOM 492 CD1 ILE A 33 0.335 5.274 1.676 1.00 1.00 C ATOM 0 H ILE A 33 -1.759 7.994 5.334 1.00 1.00 H new ATOM 0 HA ILE A 33 0.517 7.023 3.670 1.00 1.00 H new ATOM 0 HB ILE A 33 -2.430 6.824 3.226 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.893 4.814 3.409 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -1.781 4.832 1.898 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -2.300 7.044 0.755 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -1.980 8.581 1.594 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -0.631 7.643 0.910 1.00 1.00 H new ATOM 0 HD11 ILE A 33 0.603 4.231 1.507 1.00 1.00 H new ATOM 0 HD12 ILE A 33 0.220 5.780 0.717 1.00 1.00 H new ATOM 0 HD13 ILE A 33 1.122 5.762 2.251 1.00 1.00 H new ATOM 504 N ASP A 34 0.967 9.333 3.007 1.00 1.00 N ATOM 505 CA ASP A 34 1.313 10.712 2.638 1.00 1.00 C ATOM 506 C ASP A 34 0.874 11.714 3.717 1.00 1.00 C ATOM 507 O ASP A 34 0.793 12.916 3.465 1.00 1.00 O ATOM 508 CB ASP A 34 0.658 11.069 1.288 1.00 1.00 C ATOM 509 CG ASP A 34 1.155 12.425 0.789 1.00 1.00 C ATOM 510 OD1 ASP A 34 2.359 12.584 0.665 1.00 1.00 O ATOM 511 OD2 ASP A 34 0.329 13.286 0.533 1.00 1.00 O ATOM 0 H ASP A 34 1.735 8.669 2.908 1.00 1.00 H new ATOM 0 HA ASP A 34 2.397 10.775 2.548 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.887 10.299 0.552 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.426 11.092 1.399 1.00 1.00 H new ATOM 516 N GLY A 35 0.593 11.206 4.919 1.00 1.00 N ATOM 517 CA GLY A 35 0.169 12.058 6.034 1.00 1.00 C ATOM 518 C GLY A 35 -1.260 12.559 5.838 1.00 1.00 C ATOM 519 O GLY A 35 -1.690 13.494 6.512 1.00 1.00 O ATOM 0 H GLY A 35 0.651 10.213 5.145 1.00 1.00 H new ATOM 0 HA2 GLY A 35 0.236 11.499 6.967 1.00 1.00 H new ATOM 0 HA3 GLY A 35 0.846 12.908 6.123 1.00 1.00 H new ATOM 523 N GLN A 36 -1.996 11.936 4.905 1.00 1.00 N ATOM 524 CA GLN A 36 -3.389 12.323 4.606 1.00 1.00 C ATOM 525 C GLN A 36 -4.253 11.077 4.397 1.00 1.00 C ATOM 526 O GLN A 36 -3.739 9.981 4.183 1.00 1.00 O ATOM 527 CB GLN A 36 -3.432 13.192 3.340 1.00 1.00 C ATOM 528 CG GLN A 36 -2.618 14.480 3.554 1.00 1.00 C ATOM 529 CD GLN A 36 -2.723 15.384 2.326 1.00 1.00 C ATOM 530 OE1 GLN A 36 -2.262 15.032 1.241 1.00 1.00 O ATOM 531 NE2 GLN A 36 -3.305 16.546 2.432 1.00 1.00 N ATOM 0 H GLN A 36 -1.651 11.159 4.341 1.00 1.00 H new ATOM 0 HA GLN A 36 -3.780 12.891 5.450 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -3.030 12.635 2.494 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -4.465 13.442 3.096 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -2.984 15.008 4.435 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -1.574 14.231 3.743 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -3.689 16.844 3.329 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -3.376 17.157 1.618 1.00 1.00 H new ATOM 540 N SER A 37 -5.571 11.269 4.465 1.00 1.00 N ATOM 541 CA SER A 37 -6.529 10.178 4.281 1.00 1.00 C ATOM 542 C SER A 37 -6.299 9.051 5.294 1.00 1.00 C ATOM 543 O SER A 37 -5.344 8.286 5.175 1.00 1.00 O ATOM 544 CB SER A 37 -6.431 9.622 2.850 1.00 1.00 C ATOM 545 OG SER A 37 -5.314 8.749 2.748 1.00 1.00 O ATOM 0 H SER A 37 -6.001 12.176 4.647 1.00 1.00 H new ATOM 0 HA SER A 37 -7.528 10.582 4.446 1.00 1.00 H new ATOM 0 HB2 SER A 37 -7.346 9.088 2.594 1.00 1.00 H new ATOM 0 HB3 SER A 37 -6.330 10.441 2.138 1.00 1.00 H new ATOM 0 HG SER A 37 -4.777 8.808 3.565 1.00 1.00 H new ATOM 551 N PHE A 38 -7.192 8.956 6.284 1.00 1.00 N ATOM 552 CA PHE A 38 -7.092 7.921 7.318 1.00 1.00 C ATOM 553 C PHE A 38 -8.313 7.951 8.238 1.00 1.00 C ATOM 554 O PHE A 38 -8.417 7.152 9.169 1.00 1.00 O ATOM 555 CB PHE A 38 -5.811 8.138 8.148 1.00 1.00 C ATOM 556 CG PHE A 38 -5.738 9.594 8.608 1.00 1.00 C ATOM 557 CD1 PHE A 38 -6.415 9.998 9.763 1.00 1.00 C ATOM 558 CD2 PHE A 38 -4.986 10.527 7.881 1.00 1.00 C ATOM 559 CE1 PHE A 38 -6.344 11.329 10.193 1.00 1.00 C ATOM 560 CE2 PHE A 38 -4.913 11.858 8.308 1.00 1.00 C ATOM 561 CZ PHE A 38 -5.592 12.260 9.465 1.00 1.00 C ATOM 0 H PHE A 38 -7.990 9.582 6.391 1.00 1.00 H new ATOM 0 HA PHE A 38 -7.052 6.948 6.829 1.00 1.00 H new ATOM 0 HB2 PHE A 38 -5.808 7.473 9.011 1.00 1.00 H new ATOM 0 HB3 PHE A 38 -4.933 7.890 7.552 1.00 1.00 H new ATOM 0 HD1 PHE A 38 -6.995 9.281 10.325 1.00 1.00 H new ATOM 0 HD2 PHE A 38 -4.461 10.218 6.989 1.00 1.00 H new ATOM 0 HE1 PHE A 38 -6.869 11.637 11.085 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -4.333 12.575 7.745 1.00 1.00 H new ATOM 0 HZ PHE A 38 -5.536 13.287 9.796 1.00 1.00 H new ATOM 571 N LYS A 39 -9.226 8.883 7.985 1.00 1.00 N ATOM 572 CA LYS A 39 -10.432 9.024 8.807 1.00 1.00 C ATOM 573 C LYS A 39 -11.489 7.996 8.403 1.00 1.00 C ATOM 574 O LYS A 39 -12.626 8.052 8.869 1.00 1.00 O ATOM 575 CB LYS A 39 -10.991 10.436 8.618 1.00 1.00 C ATOM 576 CG LYS A 39 -9.975 11.478 9.136 1.00 1.00 C ATOM 577 CD LYS A 39 -10.510 12.933 8.940 1.00 1.00 C ATOM 578 CE LYS A 39 -10.272 13.426 7.499 1.00 1.00 C ATOM 579 NZ LYS A 39 -8.807 13.441 7.221 1.00 1.00 N ATOM 0 H LYS A 39 -9.158 9.553 7.219 1.00 1.00 H new ATOM 0 HA LYS A 39 -10.174 8.854 9.852 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -11.203 10.615 7.564 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -11.935 10.538 9.154 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -9.774 11.300 10.193 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -9.029 11.361 8.608 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -11.576 12.965 9.167 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -10.015 13.603 9.643 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -10.782 12.774 6.790 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -10.689 14.425 7.370 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -8.599 14.157 6.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -8.290 13.672 8.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -8.509 12.505 6.879 1.00 1.00 H new ATOM 593 N SER A 40 -11.098 7.057 7.546 1.00 1.00 N ATOM 594 CA SER A 40 -12.014 6.007 7.092 1.00 1.00 C ATOM 595 C SER A 40 -11.275 4.990 6.232 1.00 1.00 C ATOM 596 O SER A 40 -10.249 5.300 5.632 1.00 1.00 O ATOM 597 CB SER A 40 -13.162 6.616 6.277 1.00 1.00 C ATOM 598 OG SER A 40 -13.901 5.573 5.654 1.00 1.00 O ATOM 0 H SER A 40 -10.159 6.999 7.152 1.00 1.00 H new ATOM 0 HA SER A 40 -12.419 5.508 7.972 1.00 1.00 H new ATOM 0 HB2 SER A 40 -13.813 7.201 6.926 1.00 1.00 H new ATOM 0 HB3 SER A 40 -12.767 7.297 5.524 1.00 1.00 H new ATOM 0 HG SER A 40 -14.636 5.959 5.134 1.00 1.00 H new ATOM 604 N SER A 41 -11.823 3.779 6.158 1.00 1.00 N ATOM 605 CA SER A 41 -11.228 2.727 5.341 1.00 1.00 C ATOM 606 C SER A 41 -11.306 3.110 3.866 1.00 1.00 C ATOM 607 O SER A 41 -10.355 2.911 3.115 1.00 1.00 O ATOM 608 CB SER A 41 -11.964 1.405 5.578 1.00 1.00 C ATOM 609 OG SER A 41 -11.892 1.073 6.958 1.00 1.00 O ATOM 0 H SER A 41 -12.673 3.504 6.651 1.00 1.00 H new ATOM 0 HA SER A 41 -10.182 2.606 5.621 1.00 1.00 H new ATOM 0 HB2 SER A 41 -13.005 1.493 5.266 1.00 1.00 H new ATOM 0 HB3 SER A 41 -11.517 0.613 4.977 1.00 1.00 H new ATOM 0 HG SER A 41 -12.363 0.228 7.116 1.00 1.00 H new ATOM 615 N GLN A 42 -12.457 3.657 3.461 1.00 1.00 N ATOM 616 CA GLN A 42 -12.677 4.064 2.070 1.00 1.00 C ATOM 617 C GLN A 42 -11.738 5.204 1.676 1.00 1.00 C ATOM 618 O GLN A 42 -11.243 5.249 0.551 1.00 1.00 O ATOM 619 CB GLN A 42 -14.145 4.502 1.883 1.00 1.00 C ATOM 620 CG GLN A 42 -14.444 4.767 0.396 1.00 1.00 C ATOM 621 CD GLN A 42 -15.898 5.178 0.207 1.00 1.00 C ATOM 622 OE1 GLN A 42 -16.743 4.957 1.075 1.00 1.00 O ATOM 623 NE2 GLN A 42 -16.254 5.779 -0.896 1.00 1.00 N ATOM 0 H GLN A 42 -13.251 3.828 4.078 1.00 1.00 H new ATOM 0 HA GLN A 42 -12.465 3.212 1.424 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -14.813 3.728 2.262 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -14.339 5.403 2.465 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -13.787 5.552 0.022 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -14.235 3.871 -0.188 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -15.561 5.967 -1.621 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -17.225 6.061 -1.033 1.00 1.00 H new ATOM 632 N GLU A 43 -11.497 6.126 2.607 1.00 1.00 N ATOM 633 CA GLU A 43 -10.614 7.267 2.341 1.00 1.00 C ATOM 634 C GLU A 43 -9.249 6.772 1.856 1.00 1.00 C ATOM 635 O GLU A 43 -8.535 7.477 1.149 1.00 1.00 O ATOM 636 CB GLU A 43 -10.470 8.131 3.637 1.00 1.00 C ATOM 637 CG GLU A 43 -11.626 9.168 3.751 1.00 1.00 C ATOM 638 CD GLU A 43 -11.441 10.296 2.732 1.00 1.00 C ATOM 639 OE1 GLU A 43 -10.305 10.609 2.421 1.00 1.00 O ATOM 640 OE2 GLU A 43 -12.438 10.839 2.284 1.00 1.00 O ATOM 0 H GLU A 43 -11.896 6.109 3.546 1.00 1.00 H new ATOM 0 HA GLU A 43 -11.046 7.888 1.557 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -10.472 7.482 4.513 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -9.511 8.650 3.627 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -12.583 8.674 3.584 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -11.652 9.582 4.759 1.00 1.00 H new ATOM 647 N PHE A 44 -8.898 5.549 2.235 1.00 1.00 N ATOM 648 CA PHE A 44 -7.632 4.972 1.821 1.00 1.00 C ATOM 649 C PHE A 44 -7.686 4.666 0.328 1.00 1.00 C ATOM 650 O PHE A 44 -6.764 4.973 -0.411 1.00 1.00 O ATOM 651 CB PHE A 44 -7.377 3.696 2.634 1.00 1.00 C ATOM 652 CG PHE A 44 -5.915 3.267 2.498 1.00 1.00 C ATOM 653 CD1 PHE A 44 -5.510 2.441 1.443 1.00 1.00 C ATOM 654 CD2 PHE A 44 -4.973 3.712 3.432 1.00 1.00 C ATOM 655 CE1 PHE A 44 -4.168 2.062 1.321 1.00 1.00 C ATOM 656 CE2 PHE A 44 -3.630 3.335 3.314 1.00 1.00 C ATOM 657 CZ PHE A 44 -3.228 2.508 2.257 1.00 1.00 C ATOM 0 H PHE A 44 -9.470 4.944 2.824 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.815 5.671 2.002 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -7.616 3.870 3.683 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -8.032 2.897 2.286 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -6.235 2.095 0.721 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.283 4.349 4.247 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -3.858 1.426 0.505 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -2.905 3.681 4.036 1.00 1.00 H new ATOM 0 HZ PHE A 44 -2.193 2.215 2.164 1.00 1.00 H new ATOM 667 N ILE A 45 -8.795 4.059 -0.097 1.00 1.00 N ATOM 668 CA ILE A 45 -8.982 3.713 -1.507 1.00 1.00 C ATOM 669 C ILE A 45 -9.037 5.001 -2.330 1.00 1.00 C ATOM 670 O ILE A 45 -8.660 5.019 -3.502 1.00 1.00 O ATOM 671 CB ILE A 45 -10.291 2.874 -1.693 1.00 1.00 C ATOM 672 CG1 ILE A 45 -10.068 1.410 -1.218 1.00 1.00 C ATOM 673 CG2 ILE A 45 -10.736 2.847 -3.189 1.00 1.00 C ATOM 674 CD1 ILE A 45 -9.636 1.356 0.256 1.00 1.00 C ATOM 0 H ILE A 45 -9.572 3.798 0.510 1.00 1.00 H new ATOM 0 HA ILE A 45 -8.146 3.104 -1.851 1.00 1.00 H new ATOM 0 HB ILE A 45 -11.069 3.348 -1.094 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -10.987 0.839 -1.350 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -9.307 0.937 -1.839 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -11.647 2.257 -3.287 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -10.924 3.865 -3.531 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -9.948 2.400 -3.795 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -9.489 0.318 0.554 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -8.703 1.905 0.382 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -10.409 1.806 0.878 1.00 1.00 H new ATOM 686 N ASP A 46 -9.526 6.074 -1.712 1.00 1.00 N ATOM 687 CA ASP A 46 -9.645 7.359 -2.410 1.00 1.00 C ATOM 688 C ASP A 46 -8.267 7.869 -2.814 1.00 1.00 C ATOM 689 O ASP A 46 -8.111 8.495 -3.864 1.00 1.00 O ATOM 690 CB ASP A 46 -10.358 8.385 -1.514 1.00 1.00 C ATOM 691 CG ASP A 46 -10.558 9.707 -2.257 1.00 1.00 C ATOM 692 OD1 ASP A 46 -11.212 9.692 -3.286 1.00 1.00 O ATOM 693 OD2 ASP A 46 -10.052 10.711 -1.781 1.00 1.00 O ATOM 0 H ASP A 46 -9.843 6.084 -0.743 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.239 7.215 -3.313 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -11.324 7.990 -1.198 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.772 8.555 -0.611 1.00 1.00 H new ATOM 698 N TYR A 47 -7.270 7.588 -1.983 1.00 1.00 N ATOM 699 CA TYR A 47 -5.897 8.008 -2.268 1.00 1.00 C ATOM 700 C TYR A 47 -5.312 7.243 -3.451 1.00 1.00 C ATOM 701 O TYR A 47 -4.607 7.817 -4.281 1.00 1.00 O ATOM 702 CB TYR A 47 -4.993 7.770 -1.037 1.00 1.00 C ATOM 703 CG TYR A 47 -3.515 7.862 -1.454 1.00 1.00 C ATOM 704 CD1 TYR A 47 -2.858 9.098 -1.466 1.00 1.00 C ATOM 705 CD2 TYR A 47 -2.836 6.707 -1.861 1.00 1.00 C ATOM 706 CE1 TYR A 47 -1.525 9.183 -1.883 1.00 1.00 C ATOM 707 CE2 TYR A 47 -1.502 6.788 -2.279 1.00 1.00 C ATOM 708 CZ TYR A 47 -0.850 8.025 -2.290 1.00 1.00 C ATOM 709 OH TYR A 47 0.465 8.101 -2.700 1.00 1.00 O ATOM 0 H TYR A 47 -7.382 7.074 -1.109 1.00 1.00 H new ATOM 0 HA TYR A 47 -5.931 9.070 -2.511 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -5.210 8.509 -0.266 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -5.199 6.790 -0.606 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -3.382 9.989 -1.152 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -3.342 5.753 -1.853 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -1.019 10.137 -1.891 1.00 1.00 H new ATOM 0 HE2 TYR A 47 -0.978 5.897 -2.592 1.00 1.00 H new ATOM 0 HH TYR A 47 0.567 7.642 -3.560 1.00 1.00 H new ATOM 719 N ILE A 48 -5.531 5.938 -3.472 1.00 1.00 N ATOM 720 CA ILE A 48 -4.932 5.093 -4.505 1.00 1.00 C ATOM 721 C ILE A 48 -5.345 5.581 -5.894 1.00 1.00 C ATOM 722 O ILE A 48 -4.525 5.639 -6.811 1.00 1.00 O ATOM 723 CB ILE A 48 -5.348 3.607 -4.317 1.00 1.00 C ATOM 724 CG1 ILE A 48 -5.080 3.167 -2.855 1.00 1.00 C ATOM 725 CG2 ILE A 48 -4.516 2.720 -5.271 1.00 1.00 C ATOM 726 CD1 ILE A 48 -5.565 1.730 -2.612 1.00 1.00 C ATOM 0 H ILE A 48 -6.111 5.441 -2.796 1.00 1.00 H new ATOM 0 HA ILE A 48 -3.848 5.161 -4.412 1.00 1.00 H new ATOM 0 HB ILE A 48 -6.410 3.500 -4.539 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -4.013 3.235 -2.641 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -5.587 3.846 -2.169 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -4.805 1.677 -5.142 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -4.699 3.023 -6.302 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -3.456 2.834 -5.042 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -5.364 1.448 -1.578 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -6.637 1.670 -2.803 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -5.039 1.050 -3.282 1.00 1.00 H new ATOM 738 N HIS A 49 -6.620 5.931 -6.041 1.00 1.00 N ATOM 739 CA HIS A 49 -7.135 6.412 -7.324 1.00 1.00 C ATOM 740 C HIS A 49 -6.710 7.863 -7.581 1.00 1.00 C ATOM 741 O HIS A 49 -6.757 8.335 -8.716 1.00 1.00 O ATOM 742 CB HIS A 49 -8.669 6.342 -7.310 1.00 1.00 C ATOM 743 CG HIS A 49 -9.124 4.941 -7.012 1.00 1.00 C ATOM 744 ND1 HIS A 49 -8.615 3.831 -7.666 1.00 1.00 N ATOM 745 CD2 HIS A 49 -10.098 4.463 -6.166 1.00 1.00 C ATOM 746 CE1 HIS A 49 -9.275 2.757 -7.208 1.00 1.00 C ATOM 747 NE2 HIS A 49 -10.191 3.078 -6.291 1.00 1.00 N ATOM 0 H HIS A 49 -7.313 5.892 -5.294 1.00 1.00 H new ATOM 0 HA HIS A 49 -6.728 5.782 -8.115 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -9.064 7.027 -6.560 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -9.063 6.662 -8.274 1.00 1.00 H new ATOM 0 HD1 HIS A 49 -7.874 3.831 -8.367 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -10.700 5.069 -5.505 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -9.087 1.748 -7.543 1.00 1.00 H new ATOM 756 N SER A 50 -6.313 8.576 -6.518 1.00 1.00 N ATOM 757 CA SER A 50 -5.904 9.991 -6.630 1.00 1.00 C ATOM 758 C SER A 50 -4.394 10.125 -6.845 1.00 1.00 C ATOM 759 O SER A 50 -3.743 10.954 -6.208 1.00 1.00 O ATOM 760 CB SER A 50 -6.319 10.738 -5.355 1.00 1.00 C ATOM 761 OG SER A 50 -6.155 12.135 -5.557 1.00 1.00 O ATOM 0 H SER A 50 -6.265 8.201 -5.571 1.00 1.00 H new ATOM 0 HA SER A 50 -6.401 10.425 -7.497 1.00 1.00 H new ATOM 0 HB2 SER A 50 -7.357 10.513 -5.109 1.00 1.00 H new ATOM 0 HB3 SER A 50 -5.713 10.407 -4.512 1.00 1.00 H new ATOM 0 HG SER A 50 -5.216 12.328 -5.760 1.00 1.00 H new ATOM 767 N LYS A 51 -3.848 9.323 -7.767 1.00 1.00 N ATOM 768 CA LYS A 51 -2.412 9.349 -8.095 1.00 1.00 C ATOM 769 C LYS A 51 -2.224 8.969 -9.561 1.00 1.00 C ATOM 770 O LYS A 51 -3.193 8.640 -10.248 1.00 1.00 O ATOM 771 CB LYS A 51 -1.633 8.352 -7.164 1.00 1.00 C ATOM 772 CG LYS A 51 -1.053 9.072 -5.904 1.00 1.00 C ATOM 773 CD LYS A 51 0.275 9.784 -6.257 1.00 1.00 C ATOM 774 CE LYS A 51 0.778 10.594 -5.060 1.00 1.00 C ATOM 775 NZ LYS A 51 -0.241 11.619 -4.691 1.00 1.00 N ATOM 0 H LYS A 51 -4.382 8.641 -8.305 1.00 1.00 H new ATOM 0 HA LYS A 51 -2.016 10.352 -7.933 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -2.301 7.550 -6.850 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -0.821 7.889 -7.725 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -1.774 9.798 -5.527 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -0.885 8.347 -5.108 1.00 1.00 H new ATOM 0 HD2 LYS A 51 1.024 9.048 -6.547 1.00 1.00 H new ATOM 0 HD3 LYS A 51 0.126 10.442 -7.113 1.00 1.00 H new ATOM 0 HE2 LYS A 51 0.968 9.933 -4.214 1.00 1.00 H new ATOM 0 HE3 LYS A 51 1.724 11.077 -5.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 0.219 12.395 -4.174 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -0.685 11.993 -5.554 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -0.968 11.184 -4.088 1.00 1.00 H new ATOM 789 N LYS A 52 -0.967 9.034 -10.037 1.00 1.00 N ATOM 790 CA LYS A 52 -0.624 8.705 -11.434 1.00 1.00 C ATOM 791 C LYS A 52 0.554 7.723 -11.462 1.00 1.00 C ATOM 792 O LYS A 52 1.347 7.656 -10.524 1.00 1.00 O ATOM 793 CB LYS A 52 -0.254 9.997 -12.193 1.00 1.00 C ATOM 794 CG LYS A 52 -1.404 11.043 -12.122 1.00 1.00 C ATOM 795 CD LYS A 52 -2.641 10.593 -12.933 1.00 1.00 C ATOM 796 CE LYS A 52 -3.716 11.686 -12.884 1.00 1.00 C ATOM 797 NZ LYS A 52 -3.180 12.939 -13.483 1.00 1.00 N ATOM 0 H LYS A 52 -0.166 9.313 -9.470 1.00 1.00 H new ATOM 0 HA LYS A 52 -1.483 8.240 -11.918 1.00 1.00 H new ATOM 0 HB2 LYS A 52 0.655 10.423 -11.768 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -0.039 9.760 -13.235 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -1.689 11.200 -11.082 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -1.048 12.000 -12.503 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -2.358 10.394 -13.967 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -3.036 9.662 -12.526 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -4.604 11.362 -13.427 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -4.021 11.865 -11.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -3.969 13.534 -13.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -2.627 13.456 -12.770 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -2.569 12.704 -14.291 1.00 1.00 H new ATOM 811 N VAL A 53 0.635 6.942 -12.536 1.00 1.00 N ATOM 812 CA VAL A 53 1.684 5.933 -12.683 1.00 1.00 C ATOM 813 C VAL A 53 3.071 6.583 -12.676 1.00 1.00 C ATOM 814 O VAL A 53 3.299 7.598 -13.332 1.00 1.00 O ATOM 815 CB VAL A 53 1.475 5.154 -14.004 1.00 1.00 C ATOM 816 CG1 VAL A 53 2.476 3.982 -14.102 1.00 1.00 C ATOM 817 CG2 VAL A 53 0.036 4.605 -14.057 1.00 1.00 C ATOM 0 H VAL A 53 -0.015 6.988 -13.321 1.00 1.00 H new ATOM 0 HA VAL A 53 1.624 5.245 -11.840 1.00 1.00 H new ATOM 0 HB VAL A 53 1.642 5.832 -14.841 1.00 1.00 H new ATOM 0 HG11 VAL A 53 2.316 3.444 -15.036 1.00 1.00 H new ATOM 0 HG12 VAL A 53 3.494 4.370 -14.076 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.325 3.303 -13.262 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.110 4.057 -14.988 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -0.130 3.937 -13.212 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -0.671 5.433 -14.009 1.00 1.00 H new ATOM 827 N GLY A 54 3.998 5.971 -11.925 1.00 1.00 N ATOM 828 CA GLY A 54 5.387 6.462 -11.815 1.00 1.00 C ATOM 829 C GLY A 54 5.571 7.298 -10.555 1.00 1.00 C ATOM 830 O GLY A 54 6.692 7.504 -10.090 1.00 1.00 O ATOM 0 H GLY A 54 3.813 5.129 -11.380 1.00 1.00 H new ATOM 0 HA2 GLY A 54 6.075 5.617 -11.799 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.636 7.059 -12.692 1.00 1.00 H new ATOM 834 N ASP A 55 4.459 7.781 -10.014 1.00 1.00 N ATOM 835 CA ASP A 55 4.488 8.607 -8.810 1.00 1.00 C ATOM 836 C ASP A 55 4.982 7.795 -7.617 1.00 1.00 C ATOM 837 O ASP A 55 4.666 6.617 -7.490 1.00 1.00 O ATOM 838 CB ASP A 55 3.073 9.138 -8.523 1.00 1.00 C ATOM 839 CG ASP A 55 2.587 10.012 -9.688 1.00 1.00 C ATOM 840 OD1 ASP A 55 3.184 9.935 -10.749 1.00 1.00 O ATOM 841 OD2 ASP A 55 1.635 10.749 -9.492 1.00 1.00 O ATOM 0 H ASP A 55 3.525 7.616 -10.389 1.00 1.00 H new ATOM 0 HA ASP A 55 5.171 9.442 -8.970 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.387 8.304 -8.374 1.00 1.00 H new ATOM 0 HB3 ASP A 55 3.075 9.718 -7.600 1.00 1.00 H new ATOM 846 N THR A 56 5.751 8.444 -6.734 1.00 1.00 N ATOM 847 CA THR A 56 6.284 7.792 -5.525 1.00 1.00 C ATOM 848 C THR A 56 5.370 8.097 -4.350 1.00 1.00 C ATOM 849 O THR A 56 4.692 9.123 -4.342 1.00 1.00 O ATOM 850 CB THR A 56 7.690 8.323 -5.225 1.00 1.00 C ATOM 851 OG1 THR A 56 7.617 9.712 -4.943 1.00 1.00 O ATOM 852 CG2 THR A 56 8.597 8.090 -6.434 1.00 1.00 C ATOM 0 H THR A 56 6.020 9.423 -6.832 1.00 1.00 H new ATOM 0 HA THR A 56 6.334 6.715 -5.687 1.00 1.00 H new ATOM 0 HB THR A 56 8.101 7.798 -4.363 1.00 1.00 H new ATOM 0 HG1 THR A 56 8.515 10.054 -4.749 1.00 1.00 H new ATOM 0 HG21 THR A 56 9.596 8.469 -6.218 1.00 1.00 H new ATOM 0 HG22 THR A 56 8.652 7.022 -6.647 1.00 1.00 H new ATOM 0 HG23 THR A 56 8.191 8.613 -7.300 1.00 1.00 H new ATOM 860 N VAL A 57 5.341 7.196 -3.362 1.00 1.00 N ATOM 861 CA VAL A 57 4.484 7.367 -2.170 1.00 1.00 C ATOM 862 C VAL A 57 5.215 6.915 -0.909 1.00 1.00 C ATOM 863 O VAL A 57 6.117 6.076 -0.959 1.00 1.00 O ATOM 864 CB VAL A 57 3.181 6.552 -2.352 1.00 1.00 C ATOM 865 CG1 VAL A 57 3.521 5.079 -2.636 1.00 1.00 C ATOM 866 CG2 VAL A 57 2.273 6.658 -1.096 1.00 1.00 C ATOM 0 H VAL A 57 5.897 6.341 -3.358 1.00 1.00 H new ATOM 0 HA VAL A 57 4.240 8.424 -2.060 1.00 1.00 H new ATOM 0 HB VAL A 57 2.634 6.966 -3.199 1.00 1.00 H new ATOM 0 HG11 VAL A 57 2.599 4.511 -2.763 1.00 1.00 H new ATOM 0 HG12 VAL A 57 4.117 5.012 -3.546 1.00 1.00 H new ATOM 0 HG13 VAL A 57 4.088 4.669 -1.800 1.00 1.00 H new ATOM 0 HG21 VAL A 57 1.365 6.075 -1.253 1.00 1.00 H new ATOM 0 HG22 VAL A 57 2.807 6.271 -0.228 1.00 1.00 H new ATOM 0 HG23 VAL A 57 2.009 7.702 -0.925 1.00 1.00 H new ATOM 876 N LYS A 58 4.788 7.470 0.229 1.00 1.00 N ATOM 877 CA LYS A 58 5.352 7.131 1.543 1.00 1.00 C ATOM 878 C LYS A 58 4.416 6.162 2.265 1.00 1.00 C ATOM 879 O LYS A 58 3.241 6.482 2.467 1.00 1.00 O ATOM 880 CB LYS A 58 5.481 8.410 2.387 1.00 1.00 C ATOM 881 CG LYS A 58 6.420 9.409 1.687 1.00 1.00 C ATOM 882 CD LYS A 58 6.712 10.616 2.605 1.00 1.00 C ATOM 883 CE LYS A 58 5.421 11.400 2.943 1.00 1.00 C ATOM 884 NZ LYS A 58 4.616 11.608 1.707 1.00 1.00 N ATOM 0 H LYS A 58 4.043 8.166 0.268 1.00 1.00 H new ATOM 0 HA LYS A 58 6.331 6.671 1.407 1.00 1.00 H new ATOM 0 HB2 LYS A 58 4.499 8.861 2.532 1.00 1.00 H new ATOM 0 HB3 LYS A 58 5.868 8.166 3.376 1.00 1.00 H new ATOM 0 HG2 LYS A 58 7.354 8.913 1.421 1.00 1.00 H new ATOM 0 HG3 LYS A 58 5.966 9.753 0.758 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.179 10.268 3.526 1.00 1.00 H new ATOM 0 HD3 LYS A 58 7.425 11.281 2.117 1.00 1.00 H new ATOM 0 HE2 LYS A 58 4.835 10.852 3.681 1.00 1.00 H new ATOM 0 HE3 LYS A 58 5.675 12.362 3.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 3.853 12.287 1.900 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 5.228 11.980 0.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 4.205 10.702 1.404 1.00 1.00 H new ATOM 898 N ILE A 59 4.934 4.985 2.656 1.00 1.00 N ATOM 899 CA ILE A 59 4.142 3.956 3.371 1.00 1.00 C ATOM 900 C ILE A 59 4.733 3.710 4.765 1.00 1.00 C ATOM 901 O ILE A 59 5.945 3.562 4.924 1.00 1.00 O ATOM 902 CB ILE A 59 4.117 2.624 2.522 1.00 1.00 C ATOM 903 CG1 ILE A 59 2.885 2.576 1.555 1.00 1.00 C ATOM 904 CG2 ILE A 59 4.125 1.349 3.404 1.00 1.00 C ATOM 905 CD1 ILE A 59 1.578 2.168 2.287 1.00 1.00 C ATOM 0 H ILE A 59 5.904 4.717 2.490 1.00 1.00 H new ATOM 0 HA ILE A 59 3.118 4.307 3.497 1.00 1.00 H new ATOM 0 HB ILE A 59 5.035 2.636 1.935 1.00 1.00 H new ATOM 0 HG12 ILE A 59 2.750 3.554 1.093 1.00 1.00 H new ATOM 0 HG13 ILE A 59 3.085 1.868 0.750 1.00 1.00 H new ATOM 0 HG21 ILE A 59 4.107 0.465 2.766 1.00 1.00 H new ATOM 0 HG22 ILE A 59 5.026 1.336 4.017 1.00 1.00 H new ATOM 0 HG23 ILE A 59 3.247 1.348 4.050 1.00 1.00 H new ATOM 0 HD11 ILE A 59 0.753 2.149 1.575 1.00 1.00 H new ATOM 0 HD12 ILE A 59 1.701 1.178 2.726 1.00 1.00 H new ATOM 0 HD13 ILE A 59 1.361 2.890 3.074 1.00 1.00 H new ATOM 917 N LYS A 60 3.842 3.625 5.761 1.00 1.00 N ATOM 918 CA LYS A 60 4.215 3.354 7.152 1.00 1.00 C ATOM 919 C LYS A 60 3.235 2.316 7.704 1.00 1.00 C ATOM 920 O LYS A 60 2.027 2.547 7.727 1.00 1.00 O ATOM 921 CB LYS A 60 4.176 4.672 7.973 1.00 1.00 C ATOM 922 CG LYS A 60 2.987 5.553 7.519 1.00 1.00 C ATOM 923 CD LYS A 60 2.845 6.792 8.423 1.00 1.00 C ATOM 924 CE LYS A 60 4.086 7.704 8.338 1.00 1.00 C ATOM 925 NZ LYS A 60 3.727 9.048 8.866 1.00 1.00 N ATOM 0 H LYS A 60 2.838 3.743 5.622 1.00 1.00 H new ATOM 0 HA LYS A 60 5.230 2.962 7.218 1.00 1.00 H new ATOM 0 HB2 LYS A 60 4.084 4.444 9.035 1.00 1.00 H new ATOM 0 HB3 LYS A 60 5.111 5.217 7.844 1.00 1.00 H new ATOM 0 HG2 LYS A 60 3.135 5.867 6.486 1.00 1.00 H new ATOM 0 HG3 LYS A 60 2.066 4.970 7.546 1.00 1.00 H new ATOM 0 HD2 LYS A 60 1.958 7.355 8.132 1.00 1.00 H new ATOM 0 HD3 LYS A 60 2.696 6.475 9.455 1.00 1.00 H new ATOM 0 HE2 LYS A 60 4.908 7.279 8.914 1.00 1.00 H new ATOM 0 HE3 LYS A 60 4.427 7.782 7.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 4.556 9.674 8.814 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 2.954 9.449 8.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 3.420 8.961 9.856 1.00 1.00 H new ATOM 939 N TYR A 61 3.753 1.163 8.143 1.00 1.00 N ATOM 940 CA TYR A 61 2.906 0.094 8.685 1.00 1.00 C ATOM 941 C TYR A 61 3.638 -0.643 9.789 1.00 1.00 C ATOM 942 O TYR A 61 4.865 -0.734 9.754 1.00 1.00 O ATOM 943 CB TYR A 61 2.534 -0.873 7.549 1.00 1.00 C ATOM 944 CG TYR A 61 3.751 -1.673 7.041 1.00 1.00 C ATOM 945 CD1 TYR A 61 4.166 -2.831 7.713 1.00 1.00 C ATOM 946 CD2 TYR A 61 4.440 -1.260 5.895 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.258 -3.569 7.245 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.533 -1.995 5.421 1.00 1.00 C ATOM 949 CZ TYR A 61 5.943 -3.151 6.097 1.00 1.00 C ATOM 950 OH TYR A 61 7.020 -3.880 5.628 1.00 1.00 O ATOM 0 H TYR A 61 4.750 0.947 8.134 1.00 1.00 H new ATOM 0 HA TYR A 61 1.997 0.524 9.107 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.768 -1.564 7.899 1.00 1.00 H new ATOM 0 HB3 TYR A 61 2.101 -0.310 6.722 1.00 1.00 H new ATOM 0 HD1 TYR A 61 3.639 -3.156 8.598 1.00 1.00 H new ATOM 0 HD2 TYR A 61 4.126 -0.368 5.373 1.00 1.00 H new ATOM 0 HE1 TYR A 61 5.573 -4.460 7.768 1.00 1.00 H new ATOM 0 HE2 TYR A 61 6.059 -1.671 4.535 1.00 1.00 H new ATOM 0 HH TYR A 61 6.811 -4.238 4.740 1.00 1.00 H new ATOM 960 N LYS A 62 2.893 -1.165 10.775 1.00 1.00 N ATOM 961 CA LYS A 62 3.493 -1.892 11.903 1.00 1.00 C ATOM 962 C LYS A 62 3.130 -3.382 11.838 1.00 1.00 C ATOM 963 O LYS A 62 1.973 -3.765 11.989 1.00 1.00 O ATOM 964 CB LYS A 62 2.975 -1.266 13.231 1.00 1.00 C ATOM 965 CG LYS A 62 1.440 -1.073 13.184 1.00 1.00 C ATOM 966 CD LYS A 62 0.930 -0.521 14.528 1.00 1.00 C ATOM 967 CE LYS A 62 -0.605 -0.459 14.516 1.00 1.00 C ATOM 968 NZ LYS A 62 -1.063 0.421 13.404 1.00 1.00 N ATOM 0 H LYS A 62 1.876 -1.097 10.814 1.00 1.00 H new ATOM 0 HA LYS A 62 4.579 -1.810 11.855 1.00 1.00 H new ATOM 0 HB2 LYS A 62 3.240 -1.910 14.070 1.00 1.00 H new ATOM 0 HB3 LYS A 62 3.462 -0.306 13.400 1.00 1.00 H new ATOM 0 HG2 LYS A 62 1.177 -0.388 12.378 1.00 1.00 H new ATOM 0 HG3 LYS A 62 0.954 -2.024 12.965 1.00 1.00 H new ATOM 0 HD2 LYS A 62 1.271 -1.156 15.345 1.00 1.00 H new ATOM 0 HD3 LYS A 62 1.342 0.473 14.703 1.00 1.00 H new ATOM 0 HE2 LYS A 62 -1.018 -1.460 14.394 1.00 1.00 H new ATOM 0 HE3 LYS A 62 -0.971 -0.077 15.469 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 -2.096 0.529 13.450 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 -0.613 1.354 13.492 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 -0.800 -0.006 12.493 1.00 1.00 H new ATOM 982 N HIS A 63 4.141 -4.235 11.630 1.00 1.00 N ATOM 983 CA HIS A 63 3.930 -5.686 11.582 1.00 1.00 C ATOM 984 C HIS A 63 4.301 -6.264 12.948 1.00 1.00 C ATOM 985 O HIS A 63 5.433 -6.117 13.407 1.00 1.00 O ATOM 986 CB HIS A 63 4.797 -6.320 10.479 1.00 1.00 C ATOM 987 CG HIS A 63 4.468 -7.789 10.365 1.00 1.00 C ATOM 988 ND1 HIS A 63 3.177 -8.229 10.126 1.00 1.00 N ATOM 989 CD2 HIS A 63 5.238 -8.923 10.474 1.00 1.00 C ATOM 990 CE1 HIS A 63 3.207 -9.572 10.099 1.00 1.00 C ATOM 991 NE2 HIS A 63 4.437 -10.050 10.306 1.00 1.00 N ATOM 0 H HIS A 63 5.110 -3.946 11.493 1.00 1.00 H new ATOM 0 HA HIS A 63 2.887 -5.905 11.352 1.00 1.00 H new ATOM 0 HB2 HIS A 63 4.616 -5.821 9.527 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.854 -6.190 10.712 1.00 1.00 H new ATOM 0 HD2 HIS A 63 6.302 -8.938 10.661 1.00 1.00 H new ATOM 0 HE1 HIS A 63 2.339 -10.192 9.930 1.00 1.00 H new ATOM 0 HE2 HIS A 63 4.727 -11.028 10.335 1.00 1.00 H new ATOM 1000 N GLY A 64 3.338 -6.916 13.588 1.00 1.00 N ATOM 1001 CA GLY A 64 3.569 -7.508 14.900 1.00 1.00 C ATOM 1002 C GLY A 64 3.936 -6.438 15.931 1.00 1.00 C ATOM 1003 O GLY A 64 3.140 -5.543 16.214 1.00 1.00 O ATOM 0 H GLY A 64 2.395 -7.048 13.223 1.00 1.00 H new ATOM 0 HA2 GLY A 64 2.674 -8.039 15.225 1.00 1.00 H new ATOM 0 HA3 GLY A 64 4.370 -8.244 14.834 1.00 1.00 H new ATOM 1007 N ASN A 65 5.152 -6.547 16.493 1.00 1.00 N ATOM 1008 CA ASN A 65 5.657 -5.597 17.509 1.00 1.00 C ATOM 1009 C ASN A 65 6.850 -4.794 16.984 1.00 1.00 C ATOM 1010 O ASN A 65 7.560 -4.168 17.769 1.00 1.00 O ATOM 1011 CB ASN A 65 6.071 -6.385 18.763 1.00 1.00 C ATOM 1012 CG ASN A 65 4.867 -7.150 19.324 1.00 1.00 C ATOM 1013 OD1 ASN A 65 3.656 -6.788 19.001 1.00 1.00 O flip ATOM 1014 ND2 ASN A 65 5.032 -8.114 20.072 1.00 1.00 N flip ATOM 0 H ASN A 65 5.811 -7.290 16.260 1.00 1.00 H new ATOM 0 HA ASN A 65 4.863 -4.890 17.749 1.00 1.00 H new ATOM 0 HB2 ASN A 65 6.872 -7.082 18.516 1.00 1.00 H new ATOM 0 HB3 ASN A 65 6.463 -5.703 19.518 1.00 1.00 H new ATOM 0 HD21 ASN A 65 5.975 -8.404 20.330 1.00 1.00 H new ATOM 0 HD22 ASN A 65 4.225 -8.623 20.434 1.00 1.00 H new ATOM 1021 N LYS A 66 7.072 -4.821 15.657 1.00 1.00 N ATOM 1022 CA LYS A 66 8.200 -4.092 15.023 1.00 1.00 C ATOM 1023 C LYS A 66 7.693 -3.107 13.949 1.00 1.00 C ATOM 1024 O LYS A 66 7.031 -3.493 12.988 1.00 1.00 O ATOM 1025 CB LYS A 66 9.193 -5.109 14.398 1.00 1.00 C ATOM 1026 CG LYS A 66 8.449 -6.162 13.550 1.00 1.00 C ATOM 1027 CD LYS A 66 9.441 -7.199 12.972 1.00 1.00 C ATOM 1028 CE LYS A 66 10.403 -6.553 11.940 1.00 1.00 C ATOM 1029 NZ LYS A 66 10.981 -7.622 11.083 1.00 1.00 N ATOM 0 H LYS A 66 6.489 -5.338 14.999 1.00 1.00 H new ATOM 0 HA LYS A 66 8.713 -3.512 15.791 1.00 1.00 H new ATOM 0 HB2 LYS A 66 9.916 -4.581 13.776 1.00 1.00 H new ATOM 0 HB3 LYS A 66 9.756 -5.606 15.189 1.00 1.00 H new ATOM 0 HG2 LYS A 66 7.702 -6.668 14.162 1.00 1.00 H new ATOM 0 HG3 LYS A 66 7.915 -5.670 12.737 1.00 1.00 H new ATOM 0 HD2 LYS A 66 10.020 -7.642 13.783 1.00 1.00 H new ATOM 0 HD3 LYS A 66 8.887 -8.009 12.497 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.867 -5.828 11.328 1.00 1.00 H new ATOM 0 HE3 LYS A 66 11.197 -6.011 12.453 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 11.628 -7.198 10.388 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 11.505 -8.297 11.676 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 10.215 -8.120 10.585 1.00 1.00 H new ATOM 1043 N ASN A 67 8.009 -1.820 14.135 1.00 1.00 N ATOM 1044 CA ASN A 67 7.595 -0.781 13.197 1.00 1.00 C ATOM 1045 C ASN A 67 8.483 -0.819 11.954 1.00 1.00 C ATOM 1046 O ASN A 67 9.707 -0.733 12.055 1.00 1.00 O ATOM 1047 CB ASN A 67 7.710 0.598 13.861 1.00 1.00 C ATOM 1048 CG ASN A 67 6.818 0.661 15.095 1.00 1.00 C ATOM 1049 OD1 ASN A 67 5.552 0.363 14.997 1.00 1.00 O flip ATOM 1050 ND2 ASN A 67 7.281 0.991 16.186 1.00 1.00 N flip ATOM 0 H ASN A 67 8.551 -1.477 14.929 1.00 1.00 H new ATOM 0 HA ASN A 67 6.559 -0.959 12.908 1.00 1.00 H new ATOM 0 HB2 ASN A 67 8.746 0.790 14.141 1.00 1.00 H new ATOM 0 HB3 ASN A 67 7.422 1.376 13.154 1.00 1.00 H new ATOM 0 HD21 ASN A 67 8.270 1.225 16.270 1.00 1.00 H new ATOM 0 HD22 ASN A 67 6.676 1.030 17.006 1.00 1.00 H new ATOM 1057 N GLU A 68 7.846 -0.951 10.786 1.00 1.00 N ATOM 1058 CA GLU A 68 8.554 -1.004 9.489 1.00 1.00 C ATOM 1059 C GLU A 68 7.959 0.024 8.524 1.00 1.00 C ATOM 1060 O GLU A 68 6.747 0.222 8.476 1.00 1.00 O ATOM 1061 CB GLU A 68 8.407 -2.414 8.890 1.00 1.00 C ATOM 1062 CG GLU A 68 9.048 -3.465 9.821 1.00 1.00 C ATOM 1063 CD GLU A 68 10.562 -3.263 9.910 1.00 1.00 C ATOM 1064 OE1 GLU A 68 11.198 -3.208 8.869 1.00 1.00 O ATOM 1065 OE2 GLU A 68 11.070 -3.156 11.014 1.00 1.00 O ATOM 0 H GLU A 68 6.832 -1.024 10.706 1.00 1.00 H new ATOM 0 HA GLU A 68 9.608 -0.776 9.645 1.00 1.00 H new ATOM 0 HB2 GLU A 68 7.352 -2.645 8.743 1.00 1.00 H new ATOM 0 HB3 GLU A 68 8.881 -2.450 7.909 1.00 1.00 H new ATOM 0 HG2 GLU A 68 8.608 -3.392 10.816 1.00 1.00 H new ATOM 0 HG3 GLU A 68 8.832 -4.467 9.449 1.00 1.00 H new ATOM 1072 N GLU A 69 8.839 0.677 7.751 1.00 1.00 N ATOM 1073 CA GLU A 69 8.426 1.697 6.772 1.00 1.00 C ATOM 1074 C GLU A 69 9.279 1.602 5.503 1.00 1.00 C ATOM 1075 O GLU A 69 10.497 1.439 5.561 1.00 1.00 O ATOM 1076 CB GLU A 69 8.523 3.115 7.389 1.00 1.00 C ATOM 1077 CG GLU A 69 9.937 3.400 7.955 1.00 1.00 C ATOM 1078 CD GLU A 69 10.210 2.561 9.205 1.00 1.00 C ATOM 1079 OE1 GLU A 69 9.295 2.393 9.995 1.00 1.00 O ATOM 1080 OE2 GLU A 69 11.323 2.085 9.357 1.00 1.00 O ATOM 0 H GLU A 69 9.846 0.517 7.784 1.00 1.00 H new ATOM 0 HA GLU A 69 7.387 1.511 6.501 1.00 1.00 H new ATOM 0 HB2 GLU A 69 8.278 3.859 6.631 1.00 1.00 H new ATOM 0 HB3 GLU A 69 7.785 3.216 8.185 1.00 1.00 H new ATOM 0 HG2 GLU A 69 10.687 3.181 7.195 1.00 1.00 H new ATOM 0 HG3 GLU A 69 10.029 4.459 8.197 1.00 1.00 H new ATOM 1087 N ALA A 70 8.617 1.690 4.353 1.00 1.00 N ATOM 1088 CA ALA A 70 9.308 1.612 3.065 1.00 1.00 C ATOM 1089 C ALA A 70 8.447 2.185 1.941 1.00 1.00 C ATOM 1090 O ALA A 70 7.296 1.794 1.785 1.00 1.00 O ATOM 1091 CB ALA A 70 9.616 0.147 2.765 1.00 1.00 C ATOM 0 H ALA A 70 7.607 1.815 4.284 1.00 1.00 H new ATOM 0 HA ALA A 70 10.226 2.197 3.123 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.131 0.072 1.807 1.00 1.00 H new ATOM 0 HB2 ALA A 70 10.251 -0.260 3.552 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.685 -0.419 2.721 1.00 1.00 H new ATOM 1097 N SER A 71 9.020 3.091 1.143 1.00 1.00 N ATOM 1098 CA SER A 71 8.300 3.694 0.009 1.00 1.00 C ATOM 1099 C SER A 71 8.438 2.779 -1.209 1.00 1.00 C ATOM 1100 O SER A 71 9.459 2.114 -1.380 1.00 1.00 O ATOM 1101 CB SER A 71 8.872 5.085 -0.311 1.00 1.00 C ATOM 1102 OG SER A 71 8.443 5.484 -1.605 1.00 1.00 O ATOM 0 H SER A 71 9.977 3.424 1.258 1.00 1.00 H new ATOM 0 HA SER A 71 7.247 3.808 0.268 1.00 1.00 H new ATOM 0 HB2 SER A 71 8.539 5.808 0.434 1.00 1.00 H new ATOM 0 HB3 SER A 71 9.961 5.062 -0.268 1.00 1.00 H new ATOM 0 HG SER A 71 7.677 6.089 -1.523 1.00 1.00 H new ATOM 1108 N ILE A 72 7.387 2.736 -2.043 1.00 1.00 N ATOM 1109 CA ILE A 72 7.352 1.887 -3.251 1.00 1.00 C ATOM 1110 C ILE A 72 6.820 2.680 -4.441 1.00 1.00 C ATOM 1111 O ILE A 72 6.003 3.589 -4.293 1.00 1.00 O ATOM 1112 CB ILE A 72 6.460 0.616 -3.019 1.00 1.00 C ATOM 1113 CG1 ILE A 72 5.220 0.964 -2.134 1.00 1.00 C ATOM 1114 CG2 ILE A 72 7.274 -0.530 -2.385 1.00 1.00 C ATOM 1115 CD1 ILE A 72 5.566 1.212 -0.643 1.00 1.00 C ATOM 0 H ILE A 72 6.539 3.285 -1.902 1.00 1.00 H new ATOM 0 HA ILE A 72 8.371 1.562 -3.463 1.00 1.00 H new ATOM 0 HB ILE A 72 6.105 0.277 -3.992 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.735 1.853 -2.538 1.00 1.00 H new ATOM 0 HG13 ILE A 72 4.498 0.150 -2.199 1.00 1.00 H new ATOM 0 HG21 ILE A 72 6.629 -1.396 -2.237 1.00 1.00 H new ATOM 0 HG22 ILE A 72 8.098 -0.800 -3.046 1.00 1.00 H new ATOM 0 HG23 ILE A 72 7.672 -0.205 -1.424 1.00 1.00 H new ATOM 0 HD11 ILE A 72 4.655 1.448 -0.093 1.00 1.00 H new ATOM 0 HD12 ILE A 72 6.023 0.317 -0.222 1.00 1.00 H new ATOM 0 HD13 ILE A 72 6.263 2.046 -0.565 1.00 1.00 H new ATOM 1127 N LYS A 73 7.296 2.306 -5.628 1.00 1.00 N ATOM 1128 CA LYS A 73 6.885 2.948 -6.866 1.00 1.00 C ATOM 1129 C LYS A 73 5.546 2.369 -7.313 1.00 1.00 C ATOM 1130 O LYS A 73 5.322 1.161 -7.224 1.00 1.00 O ATOM 1131 CB LYS A 73 7.953 2.705 -7.944 1.00 1.00 C ATOM 1132 CG LYS A 73 7.613 3.494 -9.222 1.00 1.00 C ATOM 1133 CD LYS A 73 8.684 3.250 -10.309 1.00 1.00 C ATOM 1134 CE LYS A 73 10.084 3.766 -9.868 1.00 1.00 C ATOM 1135 NZ LYS A 73 10.797 2.670 -9.150 1.00 1.00 N ATOM 0 H LYS A 73 7.973 1.554 -5.754 1.00 1.00 H new ATOM 0 HA LYS A 73 6.775 4.021 -6.709 1.00 1.00 H new ATOM 0 HB2 LYS A 73 8.931 3.008 -7.571 1.00 1.00 H new ATOM 0 HB3 LYS A 73 8.014 1.641 -8.171 1.00 1.00 H new ATOM 0 HG2 LYS A 73 6.634 3.192 -9.593 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.553 4.558 -8.994 1.00 1.00 H new ATOM 0 HD2 LYS A 73 8.742 2.184 -10.529 1.00 1.00 H new ATOM 0 HD3 LYS A 73 8.386 3.750 -11.231 1.00 1.00 H new ATOM 0 HE2 LYS A 73 10.660 4.085 -10.737 1.00 1.00 H new ATOM 0 HE3 LYS A 73 9.978 4.636 -9.219 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 10.989 2.964 -8.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 10.205 1.815 -9.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 11.695 2.466 -9.633 1.00 1.00 H new ATOM 1149 N LEU A 74 4.662 3.235 -7.805 1.00 1.00 N ATOM 1150 CA LEU A 74 3.346 2.802 -8.275 1.00 1.00 C ATOM 1151 C LEU A 74 3.482 2.073 -9.610 1.00 1.00 C ATOM 1152 O LEU A 74 4.380 2.356 -10.402 1.00 1.00 O ATOM 1153 CB LEU A 74 2.406 4.036 -8.429 1.00 1.00 C ATOM 1154 CG LEU A 74 1.677 4.423 -7.094 1.00 1.00 C ATOM 1155 CD1 LEU A 74 0.478 3.473 -6.807 1.00 1.00 C ATOM 1156 CD2 LEU A 74 2.664 4.425 -5.896 1.00 1.00 C ATOM 0 H LEU A 74 4.831 4.237 -7.889 1.00 1.00 H new ATOM 0 HA LEU A 74 2.914 2.118 -7.545 1.00 1.00 H new ATOM 0 HB2 LEU A 74 2.989 4.888 -8.778 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.660 3.824 -9.195 1.00 1.00 H new ATOM 0 HG LEU A 74 1.287 5.433 -7.219 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.005 3.768 -5.876 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.240 3.536 -7.624 1.00 1.00 H new ATOM 0 HD13 LEU A 74 0.839 2.448 -6.720 1.00 1.00 H new ATOM 0 HD21 LEU A 74 2.130 4.697 -4.985 1.00 1.00 H new ATOM 0 HD22 LEU A 74 3.097 3.432 -5.780 1.00 1.00 H new ATOM 0 HD23 LEU A 74 3.458 5.148 -6.080 1.00 1.00 H new ATOM 1168 N THR A 75 2.568 1.123 -9.841 1.00 1.00 N ATOM 1169 CA THR A 75 2.556 0.326 -11.074 1.00 1.00 C ATOM 1170 C THR A 75 1.119 0.105 -11.543 1.00 1.00 C ATOM 1171 O THR A 75 0.170 0.282 -10.780 1.00 1.00 O ATOM 1172 CB THR A 75 3.222 -1.034 -10.805 1.00 1.00 C ATOM 1173 OG1 THR A 75 2.365 -1.818 -9.987 1.00 1.00 O ATOM 1174 CG2 THR A 75 4.566 -0.834 -10.080 1.00 1.00 C ATOM 0 H THR A 75 1.823 0.886 -9.186 1.00 1.00 H new ATOM 0 HA THR A 75 3.104 0.859 -11.851 1.00 1.00 H new ATOM 0 HB THR A 75 3.400 -1.538 -11.755 1.00 1.00 H new ATOM 0 HG1 THR A 75 1.903 -1.238 -9.346 1.00 1.00 H new ATOM 0 HG21 THR A 75 5.028 -1.804 -9.895 1.00 1.00 H new ATOM 0 HG22 THR A 75 5.228 -0.230 -10.700 1.00 1.00 H new ATOM 0 HG23 THR A 75 4.395 -0.327 -9.130 1.00 1.00 H new ATOM 1182 N ALA A 76 0.969 -0.311 -12.801 1.00 1.00 N ATOM 1183 CA ALA A 76 -0.359 -0.588 -13.363 1.00 1.00 C ATOM 1184 C ALA A 76 -0.823 -1.968 -12.903 1.00 1.00 C ATOM 1185 O ALA A 76 -0.078 -2.941 -12.999 1.00 1.00 O ATOM 1186 CB ALA A 76 -0.313 -0.559 -14.896 1.00 1.00 C ATOM 0 H ALA A 76 1.742 -0.464 -13.448 1.00 1.00 H new ATOM 0 HA ALA A 76 -1.053 0.178 -13.016 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.306 -0.767 -15.294 1.00 1.00 H new ATOM 0 HB2 ALA A 76 0.014 0.425 -15.232 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.386 -1.315 -15.253 1.00 1.00 H new ATOM 1192 N ILE A 77 -2.065 -2.035 -12.418 1.00 1.00 N ATOM 1193 CA ILE A 77 -2.671 -3.294 -11.939 1.00 1.00 C ATOM 1194 C ILE A 77 -3.765 -3.745 -12.910 1.00 1.00 C ATOM 1195 O ILE A 77 -3.737 -4.875 -13.395 1.00 1.00 O ATOM 1196 CB ILE A 77 -3.260 -3.094 -10.490 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -3.724 -1.613 -10.296 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -2.193 -3.435 -9.424 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -4.587 -1.458 -9.033 1.00 1.00 C ATOM 0 H ILE A 77 -2.682 -1.226 -12.344 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.905 -4.068 -11.894 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.114 -3.761 -10.373 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -2.852 -0.963 -10.225 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -4.292 -1.290 -11.169 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -2.614 -3.292 -8.429 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -1.881 -4.473 -9.540 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -1.330 -2.781 -9.550 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -4.893 -0.417 -8.927 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -5.471 -2.090 -9.117 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.009 -1.757 -8.159 1.00 1.00 H new ATOM 1211 N ASP A 78 -4.744 -2.866 -13.161 1.00 1.00 N ATOM 1212 CA ASP A 78 -5.880 -3.189 -14.045 1.00 1.00 C ATOM 1213 C ASP A 78 -5.669 -2.635 -15.451 1.00 1.00 C ATOM 1214 O ASP A 78 -4.727 -1.885 -15.713 1.00 1.00 O ATOM 1215 CB ASP A 78 -7.197 -2.632 -13.449 1.00 1.00 C ATOM 1216 CG ASP A 78 -8.415 -3.205 -14.197 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -8.288 -4.276 -14.767 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -9.459 -2.573 -14.199 1.00 1.00 O ATOM 0 H ASP A 78 -4.775 -1.926 -12.767 1.00 1.00 H new ATOM 0 HA ASP A 78 -5.947 -4.275 -14.117 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -7.260 -2.887 -12.391 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -7.201 -1.544 -13.516 1.00 1.00 H new ATOM 1223 N LYS A 79 -6.562 -3.034 -16.346 1.00 1.00 N ATOM 1224 CA LYS A 79 -6.516 -2.621 -17.744 1.00 1.00 C ATOM 1225 C LYS A 79 -6.620 -1.101 -17.898 1.00 1.00 C ATOM 1226 O LYS A 79 -6.110 -0.535 -18.864 1.00 1.00 O ATOM 1227 CB LYS A 79 -7.678 -3.304 -18.497 1.00 1.00 C ATOM 1228 CG LYS A 79 -9.046 -2.846 -17.916 1.00 1.00 C ATOM 1229 CD LYS A 79 -10.201 -3.718 -18.460 1.00 1.00 C ATOM 1230 CE LYS A 79 -10.368 -3.542 -19.983 1.00 1.00 C ATOM 1231 NZ LYS A 79 -11.670 -4.137 -20.392 1.00 1.00 N ATOM 0 H LYS A 79 -7.341 -3.654 -16.124 1.00 1.00 H new ATOM 0 HA LYS A 79 -5.555 -2.922 -18.162 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -7.626 -3.059 -19.558 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.586 -4.387 -18.415 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -9.021 -2.907 -16.828 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -9.222 -1.802 -18.173 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -10.006 -4.766 -18.232 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -11.130 -3.450 -17.957 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -10.336 -2.485 -20.247 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -9.548 -4.028 -20.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -11.796 -4.025 -21.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -11.681 -5.148 -20.150 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -12.444 -3.654 -19.894 1.00 1.00 H new ATOM 1245 N LYS A 80 -7.292 -0.443 -16.951 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.470 1.018 -16.999 1.00 1.00 C ATOM 1247 C LYS A 80 -6.212 1.728 -16.497 1.00 1.00 C ATOM 1248 O LYS A 80 -6.235 2.929 -16.228 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.696 1.444 -16.154 1.00 1.00 C ATOM 1250 CG LYS A 80 -8.658 0.765 -14.767 1.00 1.00 C ATOM 1251 CD LYS A 80 -9.775 1.339 -13.878 1.00 1.00 C ATOM 1252 CE LYS A 80 -9.775 0.663 -12.494 1.00 1.00 C ATOM 1253 NZ LYS A 80 -10.200 -0.756 -12.632 1.00 1.00 N ATOM 0 H LYS A 80 -7.722 -0.893 -16.143 1.00 1.00 H new ATOM 0 HA LYS A 80 -7.644 1.307 -18.036 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -8.705 2.527 -16.035 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -9.615 1.173 -16.673 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -8.784 -0.312 -14.875 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -7.687 0.927 -14.298 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -9.638 2.414 -13.762 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -10.741 1.191 -14.360 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -8.779 0.714 -12.053 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -10.449 1.191 -11.820 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -10.347 -1.168 -11.688 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -11.088 -0.802 -13.172 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -9.463 -1.292 -13.133 1.00 1.00 H new ATOM 1267 N GLY A 81 -5.111 0.986 -16.400 1.00 1.00 N ATOM 1268 CA GLY A 81 -3.836 1.559 -15.962 1.00 1.00 C ATOM 1269 C GLY A 81 -3.982 2.378 -14.684 1.00 1.00 C ATOM 1270 O GLY A 81 -3.389 3.450 -14.558 1.00 1.00 O ATOM 0 H GLY A 81 -5.074 -0.010 -16.617 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -3.116 0.757 -15.797 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.433 2.191 -16.753 1.00 1.00 H new ATOM 1274 N THR A 82 -4.777 1.876 -13.735 1.00 1.00 N ATOM 1275 CA THR A 82 -4.988 2.588 -12.474 1.00 1.00 C ATOM 1276 C THR A 82 -3.788 2.337 -11.531 1.00 1.00 C ATOM 1277 O THR A 82 -3.533 1.188 -11.173 1.00 1.00 O ATOM 1278 CB THR A 82 -6.283 2.107 -11.794 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.381 2.615 -12.535 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.381 2.636 -10.337 1.00 1.00 C ATOM 0 H THR A 82 -5.279 0.991 -13.814 1.00 1.00 H new ATOM 0 HA THR A 82 -5.076 3.654 -12.684 1.00 1.00 H new ATOM 0 HB THR A 82 -6.287 1.017 -11.766 1.00 1.00 H new ATOM 0 HG1 THR A 82 -8.086 2.904 -11.919 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.306 2.280 -9.882 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.530 2.274 -9.760 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.376 3.726 -10.345 1.00 1.00 H new ATOM 1288 N PRO A 83 -3.065 3.354 -11.091 1.00 1.00 N ATOM 1289 CA PRO A 83 -1.915 3.148 -10.149 1.00 1.00 C ATOM 1290 C PRO A 83 -2.319 2.340 -8.903 1.00 1.00 C ATOM 1291 O PRO A 83 -3.325 2.632 -8.266 1.00 1.00 O ATOM 1292 CB PRO A 83 -1.497 4.597 -9.759 1.00 1.00 C ATOM 1293 CG PRO A 83 -1.985 5.462 -10.876 1.00 1.00 C ATOM 1294 CD PRO A 83 -3.234 4.782 -11.438 1.00 1.00 C ATOM 0 HA PRO A 83 -1.110 2.574 -10.607 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -1.942 4.893 -8.809 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.416 4.677 -9.643 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -2.217 6.465 -10.517 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.221 5.568 -11.646 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.142 5.193 -10.997 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.311 4.922 -12.516 1.00 1.00 H new ATOM 1302 N GLY A 84 -1.515 1.328 -8.575 1.00 1.00 N ATOM 1303 CA GLY A 84 -1.781 0.477 -7.409 1.00 1.00 C ATOM 1304 C GLY A 84 -0.520 -0.231 -6.937 1.00 1.00 C ATOM 1305 O GLY A 84 0.343 -0.591 -7.737 1.00 1.00 O ATOM 0 H GLY A 84 -0.676 1.076 -9.097 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -2.184 1.084 -6.598 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -2.541 -0.262 -7.662 1.00 1.00 H new ATOM 1309 N ILE A 85 -0.429 -0.422 -5.623 1.00 1.00 N ATOM 1310 CA ILE A 85 0.721 -1.086 -5.014 1.00 1.00 C ATOM 1311 C ILE A 85 0.758 -2.557 -5.412 1.00 1.00 C ATOM 1312 O ILE A 85 1.824 -3.173 -5.427 1.00 1.00 O ATOM 1313 CB ILE A 85 0.642 -0.947 -3.475 1.00 1.00 C ATOM 1314 CG1 ILE A 85 0.439 0.539 -3.078 1.00 1.00 C ATOM 1315 CG2 ILE A 85 1.915 -1.517 -2.809 1.00 1.00 C ATOM 1316 CD1 ILE A 85 1.556 1.450 -3.621 1.00 1.00 C ATOM 0 H ILE A 85 -1.142 -0.125 -4.957 1.00 1.00 H new ATOM 0 HA ILE A 85 1.636 -0.613 -5.370 1.00 1.00 H new ATOM 0 HB ILE A 85 -0.214 -1.521 -3.121 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -0.523 0.885 -3.455 1.00 1.00 H new ATOM 0 HG13 ILE A 85 0.404 0.620 -1.992 1.00 1.00 H new ATOM 0 HG21 ILE A 85 1.839 -1.409 -1.727 1.00 1.00 H new ATOM 0 HG22 ILE A 85 2.017 -2.572 -3.062 1.00 1.00 H new ATOM 0 HG23 ILE A 85 2.788 -0.972 -3.167 1.00 1.00 H new ATOM 0 HD11 ILE A 85 1.367 2.479 -3.315 1.00 1.00 H new ATOM 0 HD12 ILE A 85 2.517 1.124 -3.223 1.00 1.00 H new ATOM 0 HD13 ILE A 85 1.576 1.392 -4.709 1.00 1.00 H new ATOM 1328 N GLY A 86 -0.414 -3.119 -5.731 1.00 1.00 N ATOM 1329 CA GLY A 86 -0.524 -4.534 -6.132 1.00 1.00 C ATOM 1330 C GLY A 86 -0.985 -5.389 -4.963 1.00 1.00 C ATOM 1331 O GLY A 86 -0.434 -6.459 -4.707 1.00 1.00 O ATOM 0 H GLY A 86 -1.303 -2.618 -5.720 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -1.228 -4.629 -6.959 1.00 1.00 H new ATOM 0 HA3 GLY A 86 0.441 -4.891 -6.492 1.00 1.00 H new ATOM 1335 N ILE A 87 -2.009 -4.909 -4.251 1.00 1.00 N ATOM 1336 CA ILE A 87 -2.563 -5.626 -3.094 1.00 1.00 C ATOM 1337 C ILE A 87 -4.071 -5.407 -3.022 1.00 1.00 C ATOM 1338 O ILE A 87 -4.604 -4.514 -3.677 1.00 1.00 O ATOM 1339 CB ILE A 87 -1.896 -5.119 -1.789 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -2.246 -3.623 -1.518 1.00 1.00 C ATOM 1341 CG2 ILE A 87 -0.361 -5.278 -1.901 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -1.681 -3.182 -0.164 1.00 1.00 C ATOM 0 H ILE A 87 -2.474 -4.024 -4.455 1.00 1.00 H new ATOM 0 HA ILE A 87 -2.361 -6.691 -3.207 1.00 1.00 H new ATOM 0 HB ILE A 87 -2.275 -5.713 -0.958 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.837 -2.997 -2.311 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -3.327 -3.487 -1.530 1.00 1.00 H new ATOM 0 HG21 ILE A 87 0.109 -4.922 -0.984 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -0.114 -6.329 -2.051 1.00 1.00 H new ATOM 0 HG23 ILE A 87 0.004 -4.695 -2.746 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -1.933 -2.136 0.012 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.110 -3.797 0.627 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -0.597 -3.299 -0.166 1.00 1.00 H new ATOM 1354 N THR A 88 -4.740 -6.208 -2.193 1.00 1.00 N ATOM 1355 CA THR A 88 -6.198 -6.094 -1.977 1.00 1.00 C ATOM 1356 C THR A 88 -6.478 -5.985 -0.481 1.00 1.00 C ATOM 1357 O THR A 88 -6.027 -6.824 0.293 1.00 1.00 O ATOM 1358 CB THR A 88 -6.909 -7.334 -2.545 1.00 1.00 C ATOM 1359 OG1 THR A 88 -6.698 -7.386 -3.949 1.00 1.00 O ATOM 1360 CG2 THR A 88 -8.431 -7.282 -2.258 1.00 1.00 C ATOM 0 H THR A 88 -4.299 -6.952 -1.652 1.00 1.00 H new ATOM 0 HA THR A 88 -6.571 -5.205 -2.486 1.00 1.00 H new ATOM 0 HB THR A 88 -6.498 -8.222 -2.065 1.00 1.00 H new ATOM 0 HG1 THR A 88 -7.147 -8.175 -4.318 1.00 1.00 H new ATOM 0 HG21 THR A 88 -8.910 -8.170 -2.670 1.00 1.00 H new ATOM 0 HG22 THR A 88 -8.597 -7.247 -1.181 1.00 1.00 H new ATOM 0 HG23 THR A 88 -8.858 -6.392 -2.720 1.00 1.00 H new ATOM 1368 N LEU A 89 -7.231 -4.950 -0.077 1.00 1.00 N ATOM 1369 CA LEU A 89 -7.581 -4.737 1.338 1.00 1.00 C ATOM 1370 C LEU A 89 -8.994 -5.249 1.624 1.00 1.00 C ATOM 1371 O LEU A 89 -9.870 -5.198 0.760 1.00 1.00 O ATOM 1372 CB LEU A 89 -7.478 -3.231 1.681 1.00 1.00 C ATOM 1373 CG LEU A 89 -6.073 -2.660 1.238 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -6.175 -1.950 -0.128 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -5.537 -1.663 2.287 1.00 1.00 C ATOM 0 H LEU A 89 -7.610 -4.246 -0.710 1.00 1.00 H new ATOM 0 HA LEU A 89 -6.882 -5.294 1.961 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -8.275 -2.682 1.180 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -7.615 -3.085 2.752 1.00 1.00 H new ATOM 0 HG LEU A 89 -5.386 -3.502 1.154 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -5.196 -1.565 -0.412 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -6.519 -2.658 -0.882 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -6.883 -1.124 -0.057 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -4.569 -1.281 1.964 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -6.237 -0.834 2.393 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -5.426 -2.169 3.246 1.00 1.00 H new ATOM 1387 N VAL A 90 -9.193 -5.759 2.849 1.00 1.00 N ATOM 1388 CA VAL A 90 -10.490 -6.316 3.285 1.00 1.00 C ATOM 1389 C VAL A 90 -11.180 -5.337 4.228 1.00 1.00 C ATOM 1390 O VAL A 90 -10.553 -4.408 4.739 1.00 1.00 O ATOM 1391 CB VAL A 90 -10.262 -7.682 3.980 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -9.333 -7.520 5.203 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -11.609 -8.314 4.422 1.00 1.00 C ATOM 0 H VAL A 90 -8.467 -5.799 3.564 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.133 -6.471 2.418 1.00 1.00 H new ATOM 0 HB VAL A 90 -9.787 -8.347 3.259 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -9.185 -8.490 5.678 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -8.371 -7.124 4.879 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -9.787 -6.832 5.916 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -11.420 -9.272 4.907 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -12.112 -7.646 5.121 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -12.242 -8.468 3.548 1.00 1.00 H new ATOM 1403 N ASP A 91 -12.480 -5.541 4.443 1.00 1.00 N ATOM 1404 CA ASP A 91 -13.269 -4.661 5.315 1.00 1.00 C ATOM 1405 C ASP A 91 -14.488 -5.408 5.851 1.00 1.00 C ATOM 1406 O ASP A 91 -15.577 -4.845 5.968 1.00 1.00 O ATOM 1407 CB ASP A 91 -13.716 -3.426 4.515 1.00 1.00 C ATOM 1408 CG ASP A 91 -14.417 -2.418 5.426 1.00 1.00 C ATOM 1409 OD1 ASP A 91 -13.877 -2.133 6.483 1.00 1.00 O ATOM 1410 OD2 ASP A 91 -15.480 -1.951 5.055 1.00 1.00 O ATOM 0 H ASP A 91 -13.011 -6.306 4.027 1.00 1.00 H new ATOM 0 HA ASP A 91 -12.658 -4.345 6.160 1.00 1.00 H new ATOM 0 HB2 ASP A 91 -12.851 -2.959 4.044 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -14.390 -3.730 3.714 1.00 1.00 H new ATOM 1415 N ASP A 92 -14.290 -6.685 6.176 1.00 1.00 N ATOM 1416 CA ASP A 92 -15.361 -7.529 6.710 1.00 1.00 C ATOM 1417 C ASP A 92 -16.571 -7.532 5.772 1.00 1.00 C ATOM 1418 O ASP A 92 -17.715 -7.408 6.212 1.00 1.00 O ATOM 1419 CB ASP A 92 -15.772 -7.036 8.110 1.00 1.00 C ATOM 1420 CG ASP A 92 -14.583 -7.109 9.070 1.00 1.00 C ATOM 1421 OD1 ASP A 92 -13.724 -7.948 8.854 1.00 1.00 O ATOM 1422 OD2 ASP A 92 -14.552 -6.317 9.997 1.00 1.00 O ATOM 0 H ASP A 92 -13.393 -7.161 6.078 1.00 1.00 H new ATOM 0 HA ASP A 92 -14.989 -8.551 6.788 1.00 1.00 H new ATOM 0 HB2 ASP A 92 -16.136 -6.010 8.049 1.00 1.00 H new ATOM 0 HB3 ASP A 92 -16.593 -7.644 8.490 1.00 1.00 H new ATOM 1427 N LEU A 93 -16.306 -7.668 4.475 1.00 1.00 N ATOM 1428 CA LEU A 93 -17.370 -7.681 3.471 1.00 1.00 C ATOM 1429 C LEU A 93 -18.347 -8.828 3.745 1.00 1.00 C ATOM 1430 O LEU A 93 -19.506 -8.598 4.092 1.00 1.00 O ATOM 1431 CB LEU A 93 -16.755 -7.832 2.064 1.00 1.00 C ATOM 1432 CG LEU A 93 -15.662 -6.760 1.817 1.00 1.00 C ATOM 1433 CD1 LEU A 93 -15.043 -6.980 0.423 1.00 1.00 C ATOM 1434 CD2 LEU A 93 -16.246 -5.321 1.918 1.00 1.00 C ATOM 0 H LEU A 93 -15.366 -7.771 4.094 1.00 1.00 H new ATOM 0 HA LEU A 93 -17.918 -6.740 3.523 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -16.324 -8.827 1.957 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -17.537 -7.740 1.310 1.00 1.00 H new ATOM 0 HG LEU A 93 -14.896 -6.862 2.585 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -14.274 -6.229 0.244 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -14.598 -7.974 0.375 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -15.819 -6.893 -0.338 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.454 -4.594 1.740 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -17.030 -5.193 1.172 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -16.663 -5.167 2.913 1.00 1.00 H new ATOM 1446 N GLU A 94 -17.864 -10.060 3.589 1.00 1.00 N ATOM 1447 CA GLU A 94 -18.682 -11.251 3.824 1.00 1.00 C ATOM 1448 C GLU A 94 -19.978 -11.204 3.011 1.00 1.00 C ATOM 1449 O GLU A 94 -20.952 -11.879 3.340 1.00 1.00 O ATOM 1450 CB GLU A 94 -19.013 -11.367 5.322 1.00 1.00 C ATOM 1451 CG GLU A 94 -17.711 -11.469 6.133 1.00 1.00 C ATOM 1452 CD GLU A 94 -18.022 -11.559 7.624 1.00 1.00 C ATOM 1453 OE1 GLU A 94 -18.875 -10.814 8.077 1.00 1.00 O ATOM 1454 OE2 GLU A 94 -17.388 -12.360 8.291 1.00 1.00 O ATOM 0 H GLU A 94 -16.907 -10.261 3.300 1.00 1.00 H new ATOM 0 HA GLU A 94 -18.112 -12.123 3.504 1.00 1.00 H new ATOM 0 HB2 GLU A 94 -19.588 -10.499 5.646 1.00 1.00 H new ATOM 0 HB3 GLU A 94 -19.634 -12.245 5.500 1.00 1.00 H new ATOM 0 HG2 GLU A 94 -17.146 -12.347 5.819 1.00 1.00 H new ATOM 0 HG3 GLU A 94 -17.083 -10.600 5.937 1.00 1.00 H new ATOM 1461 N HIS A 95 -19.981 -10.396 1.943 1.00 1.00 N ATOM 1462 CA HIS A 95 -21.163 -10.256 1.075 1.00 1.00 C ATOM 1463 C HIS A 95 -21.131 -11.303 -0.038 1.00 1.00 C ATOM 1464 O HIS A 95 -22.154 -11.580 -0.663 1.00 1.00 O ATOM 1465 CB HIS A 95 -21.184 -8.846 0.459 1.00 1.00 C ATOM 1466 CG HIS A 95 -21.311 -7.816 1.551 1.00 1.00 C ATOM 1467 ND1 HIS A 95 -20.233 -7.066 1.991 1.00 1.00 N ATOM 1468 CD2 HIS A 95 -22.386 -7.410 2.307 1.00 1.00 C ATOM 1469 CE1 HIS A 95 -20.674 -6.257 2.969 1.00 1.00 C ATOM 1470 NE2 HIS A 95 -21.978 -6.424 3.204 1.00 1.00 N ATOM 0 H HIS A 95 -19.182 -9.830 1.658 1.00 1.00 H new ATOM 0 HA HIS A 95 -22.061 -10.407 1.673 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -20.271 -8.674 -0.111 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -22.017 -8.756 -0.238 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -23.391 -7.796 2.219 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -20.049 -5.556 3.501 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -22.552 -5.935 3.892 1.00 1.00 H new ATOM 1479 N HIS A 96 -19.953 -11.882 -0.277 1.00 1.00 N ATOM 1480 CA HIS A 96 -19.794 -12.906 -1.315 1.00 1.00 C ATOM 1481 C HIS A 96 -20.301 -12.404 -2.677 1.00 1.00 C ATOM 1482 O HIS A 96 -19.528 -11.888 -3.484 1.00 1.00 O ATOM 1483 CB HIS A 96 -20.540 -14.191 -0.897 1.00 1.00 C ATOM 1484 CG HIS A 96 -20.374 -15.266 -1.945 1.00 1.00 C ATOM 1485 ND1 HIS A 96 -19.142 -15.810 -2.267 1.00 1.00 N ATOM 1486 CD2 HIS A 96 -21.287 -15.904 -2.753 1.00 1.00 C ATOM 1487 CE1 HIS A 96 -19.339 -16.729 -3.226 1.00 1.00 C ATOM 1488 NE2 HIS A 96 -20.627 -16.829 -3.561 1.00 1.00 N ATOM 0 H HIS A 96 -19.097 -11.661 0.231 1.00 1.00 H new ATOM 0 HA HIS A 96 -18.732 -13.127 -1.422 1.00 1.00 H new ATOM 0 HB2 HIS A 96 -20.157 -14.546 0.060 1.00 1.00 H new ATOM 0 HB3 HIS A 96 -21.599 -13.974 -0.755 1.00 1.00 H new ATOM 0 HD2 HIS A 96 -22.351 -15.717 -2.760 1.00 1.00 H new ATOM 0 HE1 HIS A 96 -18.550 -17.316 -3.672 1.00 1.00 H new ATOM 0 HE2 HIS A 96 -21.040 -17.449 -4.258 1.00 1.00 H new ATOM 1497 N HIS A 97 -21.602 -12.569 -2.925 1.00 1.00 N ATOM 1498 CA HIS A 97 -22.203 -12.143 -4.189 1.00 1.00 C ATOM 1499 C HIS A 97 -22.151 -10.620 -4.323 1.00 1.00 C ATOM 1500 O HIS A 97 -23.171 -9.938 -4.205 1.00 1.00 O ATOM 1501 CB HIS A 97 -23.664 -12.629 -4.249 1.00 1.00 C ATOM 1502 CG HIS A 97 -24.273 -12.288 -5.587 1.00 1.00 C ATOM 1503 ND1 HIS A 97 -23.939 -12.969 -6.745 1.00 1.00 N ATOM 1504 CD2 HIS A 97 -25.193 -11.337 -5.963 1.00 1.00 C ATOM 1505 CE1 HIS A 97 -24.643 -12.428 -7.754 1.00 1.00 C ATOM 1506 NE2 HIS A 97 -25.423 -11.431 -7.335 1.00 1.00 N ATOM 0 H HIS A 97 -22.257 -12.993 -2.269 1.00 1.00 H new ATOM 0 HA HIS A 97 -21.640 -12.578 -5.014 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -23.703 -13.706 -4.087 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -24.242 -12.166 -3.450 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -25.664 -10.628 -5.299 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -24.584 -12.761 -8.780 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -26.053 -10.859 -7.898 1.00 1.00 H new ATOM 1515 N HIS A 98 -20.956 -10.090 -4.572 1.00 1.00 N ATOM 1516 CA HIS A 98 -20.772 -8.644 -4.725 1.00 1.00 C ATOM 1517 C HIS A 98 -21.391 -7.879 -3.535 1.00 1.00 C ATOM 1518 O HIS A 98 -21.031 -8.124 -2.385 1.00 1.00 O ATOM 1519 CB HIS A 98 -21.405 -8.192 -6.059 1.00 1.00 C ATOM 1520 CG HIS A 98 -21.080 -6.742 -6.324 1.00 1.00 C ATOM 1521 ND1 HIS A 98 -22.059 -5.791 -6.557 1.00 1.00 N ATOM 1522 CD2 HIS A 98 -19.881 -6.071 -6.404 1.00 1.00 C ATOM 1523 CE1 HIS A 98 -21.446 -4.614 -6.762 1.00 1.00 C ATOM 1524 NE2 HIS A 98 -20.118 -4.726 -6.681 1.00 1.00 N ATOM 0 H HIS A 98 -20.101 -10.636 -4.672 1.00 1.00 H new ATOM 0 HA HIS A 98 -19.706 -8.418 -4.738 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -21.032 -8.811 -6.875 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -22.486 -8.329 -6.022 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -18.907 -6.518 -6.272 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -21.964 -3.689 -6.967 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -19.426 -3.986 -6.797 1.00 1.00 H new ATOM 1533 N HIS A 99 -22.318 -6.958 -3.817 1.00 1.00 N ATOM 1534 CA HIS A 99 -22.973 -6.176 -2.769 1.00 1.00 C ATOM 1535 C HIS A 99 -23.899 -7.058 -1.919 1.00 1.00 C ATOM 1536 O HIS A 99 -23.916 -6.951 -0.693 1.00 1.00 O ATOM 1537 CB HIS A 99 -23.785 -5.041 -3.417 1.00 1.00 C ATOM 1538 CG HIS A 99 -24.396 -4.160 -2.356 1.00 1.00 C ATOM 1539 ND1 HIS A 99 -23.747 -3.892 -1.161 1.00 1.00 N ATOM 1540 CD2 HIS A 99 -25.592 -3.485 -2.298 1.00 1.00 C ATOM 1541 CE1 HIS A 99 -24.551 -3.088 -0.446 1.00 1.00 C ATOM 1542 NE2 HIS A 99 -25.688 -2.805 -1.085 1.00 1.00 N ATOM 0 H HIS A 99 -22.630 -6.737 -4.763 1.00 1.00 H new ATOM 0 HA HIS A 99 -22.208 -5.760 -2.114 1.00 1.00 H new ATOM 0 HB2 HIS A 99 -23.140 -4.447 -4.064 1.00 1.00 H new ATOM 0 HB3 HIS A 99 -24.570 -5.460 -4.047 1.00 1.00 H new ATOM 0 HD2 HIS A 99 -26.343 -3.482 -3.074 1.00 1.00 H new ATOM 0 HE1 HIS A 99 -24.305 -2.712 0.536 1.00 1.00 H new ATOM 0 HE2 HIS A 99 -26.457 -2.220 -0.758 1.00 1.00 H new ATOM 1551 N HIS A 100 -24.684 -7.904 -2.591 1.00 1.00 N ATOM 1552 CA HIS A 100 -25.641 -8.788 -1.913 1.00 1.00 C ATOM 1553 C HIS A 100 -26.626 -7.967 -1.073 1.00 1.00 C ATOM 1554 O HIS A 100 -27.490 -8.567 -0.455 1.00 1.00 O ATOM 1555 CB HIS A 100 -24.905 -9.810 -1.020 1.00 1.00 C ATOM 1556 CG HIS A 100 -25.892 -10.798 -0.440 1.00 1.00 C ATOM 1557 ND1 HIS A 100 -26.615 -11.671 -1.234 1.00 1.00 N ATOM 1558 CD2 HIS A 100 -26.292 -11.047 0.852 1.00 1.00 C ATOM 1559 CE1 HIS A 100 -27.405 -12.398 -0.426 1.00 1.00 C ATOM 1560 NE2 HIS A 100 -27.250 -12.060 0.856 1.00 1.00 N ATOM 1561 OXT HIS A 100 -26.499 -6.755 -1.064 1.00 1.00 O ATOM 0 H HIS A 100 -24.677 -7.997 -3.607 1.00 1.00 H new ATOM 0 HA HIS A 100 -26.198 -9.333 -2.675 1.00 1.00 H new ATOM 0 HB2 HIS A 100 -24.150 -10.338 -1.603 1.00 1.00 H new ATOM 0 HB3 HIS A 100 -24.382 -9.292 -0.216 1.00 1.00 H new ATOM 0 HD2 HIS A 100 -25.921 -10.537 1.729 1.00 1.00 H new ATOM 0 HE1 HIS A 100 -28.084 -13.164 -0.772 1.00 1.00 H new ATOM 0 HE2 HIS A 100 -27.729 -12.457 1.664 1.00 1.00 H new TER 1570 HIS A 100