USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 929 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 995 TYR OH : rot 180:sc= 0.816 USER MOD Set 1.2: A1013 LYS NZ :NH3+ -176:sc= 0.937 (180deg=0) USER MOD Set 2.1: A 939 SER OG : rot 180:sc=-0.000941 USER MOD Set 2.2: A1018 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.016) USER MOD Set 3.1: A 937 ASN : amide:sc= 0.873 K(o=1.6,f=-6.2!) USER MOD Set 3.2: A 954 THR OG1 : rot 128:sc= 0.729 USER MOD Set 4.1: A 936 GLN : amide:sc= -0.468 K(o=0.28,f=-1.8!) USER MOD Set 4.2: A 953 TYR OH : rot 55:sc= 0.745 USER MOD Single : A 922 THR OG1 : rot 180:sc= 0 USER MOD Single : A 927 HIS : no HE2:sc= -0.743 K(o=0.41,f=-8.7!) USER MOD Single : A 928 THR OG1 : rot 180:sc= 0 USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot -20:sc= 0.954 USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ 142:sc= -0.0718 (180deg=-0.358) USER MOD Single : A 952 THR OG1 : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= 1.24 K(o=1.2,f=-0.023) USER MOD Single : A 960 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 963 SER OG : rot 180:sc= 0 USER MOD Single : A 965 SER OG : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0 USER MOD Single : A 969 CYS SG : rot 27:sc= 0.0392 USER MOD Single : A 981 SER OG : rot 58:sc= 0.58 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.0479 X(o=-0.048,f=-0.28) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 998 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A1003 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A1004 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.135) USER MOD Single : A1006 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.16) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1014 MET CE :methyl 163:sc= -0.15 (180deg=-0.678) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HE2:sc= -11.4! C(o=-11!,f=-16!) USER MOD Single : A1017 THR OG1 : rot -142:sc= 0.987 USER MOD Single : A1026 LYS NZ :NH3+ 150:sc= 0.602 (180deg=-0.319!) USER MOD Single : A1028 LYS NZ :NH3+ -99:sc= 1.14 (180deg=-1.15) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= -0.175 (180deg=-0.175) USER MOD Single : A1032 THR OG1 : rot -24:sc= 0.168 USER MOD Single : A1033 GLN : amide:sc= -3.25! C(o=-3.3!,f=-4.5!) USER MOD Single : A1034 THR OG1 : rot 40:sc= 0.293 USER MOD Single : A1036 SER OG : rot 180:sc= 0 USER MOD Single : A1037 SER OG : rot 180:sc= 0 USER MOD Single : A1038 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 918 -7.889 -27.748 15.864 1.00 0.00 N ATOM 2 CA ILE A 918 -8.360 -26.900 14.760 1.00 0.00 C ATOM 3 C ILE A 918 -7.953 -25.459 15.008 1.00 0.00 C ATOM 4 O ILE A 918 -8.377 -24.827 15.979 1.00 0.00 O ATOM 5 CB ILE A 918 -9.895 -26.994 14.471 1.00 0.00 C ATOM 6 CG1 ILE A 918 -10.797 -26.673 15.692 1.00 0.00 C ATOM 7 CG2 ILE A 918 -10.248 -28.353 13.890 1.00 0.00 C ATOM 8 CD1 ILE A 918 -10.820 -27.712 16.798 1.00 0.00 C ATOM 0 HA ILE A 918 -7.877 -27.284 13.862 1.00 0.00 H new ATOM 0 HB ILE A 918 -10.103 -26.214 13.738 1.00 0.00 H new ATOM 0 HG12 ILE A 918 -10.471 -25.725 16.119 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -11.817 -26.528 15.336 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -11.320 -28.399 13.696 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -9.704 -28.503 12.958 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -9.974 -29.134 14.599 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -11.483 -27.379 17.596 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -11.180 -28.660 16.399 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -9.813 -27.844 17.194 1.00 0.00 H new ATOM 22 N ASP A 919 -7.098 -24.960 14.138 1.00 0.00 N ATOM 23 CA ASP A 919 -6.563 -23.607 14.240 1.00 0.00 C ATOM 24 C ASP A 919 -7.665 -22.592 13.955 1.00 0.00 C ATOM 25 O ASP A 919 -8.502 -22.857 13.079 1.00 0.00 O ATOM 26 CB ASP A 919 -5.415 -23.439 13.238 1.00 0.00 C ATOM 27 CG ASP A 919 -4.727 -22.099 13.356 1.00 0.00 C ATOM 28 OD1 ASP A 919 -3.793 -21.978 14.174 1.00 0.00 O ATOM 29 OD2 ASP A 919 -5.124 -21.144 12.661 1.00 0.00 O ATOM 0 H ASP A 919 -6.749 -25.481 13.333 1.00 0.00 H new ATOM 0 HA ASP A 919 -6.186 -23.438 15.249 1.00 0.00 H new ATOM 0 HB2 ASP A 919 -4.684 -24.233 13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 919 -5.802 -23.556 12.226 1.00 0.00 H new ATOM 34 N PRO A 920 -7.715 -21.469 14.727 1.00 0.00 N ATOM 35 CA PRO A 920 -8.683 -20.383 14.561 1.00 0.00 C ATOM 36 C PRO A 920 -8.941 -20.043 13.110 1.00 0.00 C ATOM 37 O PRO A 920 -8.131 -19.430 12.420 1.00 0.00 O ATOM 38 CB PRO A 920 -8.043 -19.224 15.310 1.00 0.00 C ATOM 39 CG PRO A 920 -7.339 -19.898 16.425 1.00 0.00 C ATOM 40 CD PRO A 920 -6.816 -21.179 15.842 1.00 0.00 C ATOM 0 HA PRO A 920 -9.669 -20.648 14.943 1.00 0.00 H new ATOM 0 HB2 PRO A 920 -7.354 -18.665 14.677 1.00 0.00 H new ATOM 0 HB3 PRO A 920 -8.789 -18.516 15.672 1.00 0.00 H new ATOM 0 HG2 PRO A 920 -6.528 -19.280 16.809 1.00 0.00 H new ATOM 0 HG3 PRO A 920 -8.015 -20.091 17.258 1.00 0.00 H new ATOM 0 HD2 PRO A 920 -5.786 -21.069 15.503 1.00 0.00 H new ATOM 0 HD3 PRO A 920 -6.825 -21.983 16.578 1.00 0.00 H new ATOM 48 N PHE A 921 -10.075 -20.533 12.694 1.00 0.00 N ATOM 49 CA PHE A 921 -10.571 -20.482 11.326 1.00 0.00 C ATOM 50 C PHE A 921 -10.485 -19.084 10.724 1.00 0.00 C ATOM 51 O PHE A 921 -9.778 -18.859 9.737 1.00 0.00 O ATOM 52 CB PHE A 921 -12.015 -20.984 11.291 1.00 0.00 C ATOM 53 CG PHE A 921 -12.179 -22.356 11.881 1.00 0.00 C ATOM 54 CD1 PHE A 921 -11.878 -23.485 11.140 1.00 0.00 C ATOM 55 CD2 PHE A 921 -12.631 -22.513 13.181 1.00 0.00 C ATOM 56 CE1 PHE A 921 -12.022 -24.745 11.686 1.00 0.00 C ATOM 57 CE2 PHE A 921 -12.778 -23.769 13.730 1.00 0.00 C ATOM 58 CZ PHE A 921 -12.473 -24.887 12.981 1.00 0.00 C ATOM 0 H PHE A 921 -10.721 -21.006 13.326 1.00 0.00 H new ATOM 0 HA PHE A 921 -9.935 -21.126 10.719 1.00 0.00 H new ATOM 0 HB2 PHE A 921 -12.650 -20.284 11.834 1.00 0.00 H new ATOM 0 HB3 PHE A 921 -12.364 -20.995 10.258 1.00 0.00 H new ATOM 0 HD1 PHE A 921 -11.527 -23.380 10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 921 -12.871 -21.641 13.771 1.00 0.00 H new ATOM 0 HE1 PHE A 921 -11.781 -25.619 11.099 1.00 0.00 H new ATOM 0 HE2 PHE A 921 -13.131 -23.878 14.745 1.00 0.00 H new ATOM 0 HZ PHE A 921 -12.587 -25.872 13.409 1.00 0.00 H new ATOM 68 N THR A 922 -11.168 -18.138 11.322 1.00 0.00 N ATOM 69 CA THR A 922 -11.181 -16.803 10.788 1.00 0.00 C ATOM 70 C THR A 922 -10.450 -15.848 11.730 1.00 0.00 C ATOM 71 O THR A 922 -9.920 -14.826 11.290 1.00 0.00 O ATOM 72 CB THR A 922 -12.629 -16.329 10.480 1.00 0.00 C ATOM 73 OG1 THR A 922 -12.617 -15.073 9.790 1.00 0.00 O ATOM 74 CG2 THR A 922 -13.467 -16.199 11.743 1.00 0.00 C ATOM 0 H THR A 922 -11.717 -18.268 12.172 1.00 0.00 H new ATOM 0 HA THR A 922 -10.647 -16.805 9.838 1.00 0.00 H new ATOM 0 HB THR A 922 -13.081 -17.091 9.845 1.00 0.00 H new ATOM 0 HG1 THR A 922 -13.538 -14.793 9.604 1.00 0.00 H new ATOM 0 HG21 THR A 922 -14.471 -15.865 11.481 1.00 0.00 H new ATOM 0 HG22 THR A 922 -13.525 -17.166 12.242 1.00 0.00 H new ATOM 0 HG23 THR A 922 -13.006 -15.472 12.412 1.00 0.00 H new ATOM 82 N ALA A 923 -10.377 -16.202 13.005 1.00 0.00 N ATOM 83 CA ALA A 923 -9.673 -15.390 13.982 1.00 0.00 C ATOM 84 C ALA A 923 -8.175 -15.447 13.723 1.00 0.00 C ATOM 85 O ALA A 923 -7.613 -16.524 13.493 1.00 0.00 O ATOM 86 CB ALA A 923 -9.986 -15.861 15.395 1.00 0.00 C ATOM 0 H ALA A 923 -10.799 -17.049 13.386 1.00 0.00 H new ATOM 0 HA ALA A 923 -10.008 -14.357 13.885 1.00 0.00 H new ATOM 0 HB1 ALA A 923 -9.449 -15.240 16.113 1.00 0.00 H new ATOM 0 HB2 ALA A 923 -11.058 -15.781 15.576 1.00 0.00 H new ATOM 0 HB3 ALA A 923 -9.675 -16.899 15.510 1.00 0.00 H new ATOM 92 N ASP A 924 -7.536 -14.295 13.724 1.00 0.00 N ATOM 93 CA ASP A 924 -6.104 -14.221 13.486 1.00 0.00 C ATOM 94 C ASP A 924 -5.383 -14.382 14.809 1.00 0.00 C ATOM 95 O ASP A 924 -5.239 -13.426 15.570 1.00 0.00 O ATOM 96 CB ASP A 924 -5.686 -12.897 12.820 1.00 0.00 C ATOM 97 CG ASP A 924 -6.327 -12.666 11.467 1.00 0.00 C ATOM 98 OD1 ASP A 924 -6.038 -13.407 10.503 1.00 0.00 O ATOM 99 OD2 ASP A 924 -7.161 -11.746 11.333 1.00 0.00 O ATOM 0 H ASP A 924 -7.985 -13.394 13.887 1.00 0.00 H new ATOM 0 HA ASP A 924 -5.833 -15.021 12.798 1.00 0.00 H new ATOM 0 HB2 ASP A 924 -5.946 -12.070 13.481 1.00 0.00 H new ATOM 0 HB3 ASP A 924 -4.602 -12.885 12.705 1.00 0.00 H new ATOM 104 N ALA A 925 -5.016 -15.608 15.129 1.00 0.00 N ATOM 105 CA ALA A 925 -4.363 -15.894 16.392 1.00 0.00 C ATOM 106 C ALA A 925 -2.895 -16.249 16.199 1.00 0.00 C ATOM 107 O ALA A 925 -2.005 -15.423 16.422 1.00 0.00 O ATOM 108 CB ALA A 925 -5.088 -17.023 17.100 1.00 0.00 C ATOM 0 H ALA A 925 -5.159 -16.422 14.532 1.00 0.00 H new ATOM 0 HA ALA A 925 -4.405 -14.994 17.005 1.00 0.00 H new ATOM 0 HB1 ALA A 925 -4.594 -17.234 18.048 1.00 0.00 H new ATOM 0 HB2 ALA A 925 -6.122 -16.731 17.286 1.00 0.00 H new ATOM 0 HB3 ALA A 925 -5.070 -17.916 16.475 1.00 0.00 H new ATOM 114 N GLY A 926 -2.656 -17.459 15.730 1.00 0.00 N ATOM 115 CA GLY A 926 -1.310 -17.961 15.564 1.00 0.00 C ATOM 116 C GLY A 926 -1.069 -18.393 14.159 1.00 0.00 C ATOM 117 O GLY A 926 -0.585 -19.492 13.901 1.00 0.00 O ATOM 0 H GLY A 926 -3.386 -18.116 15.456 1.00 0.00 H new ATOM 0 HA2 GLY A 926 -0.593 -17.187 15.838 1.00 0.00 H new ATOM 0 HA3 GLY A 926 -1.146 -18.801 16.239 1.00 0.00 H new ATOM 121 N HIS A 927 -1.447 -17.538 13.242 1.00 0.00 N ATOM 122 CA HIS A 927 -1.230 -17.823 11.846 1.00 0.00 C ATOM 123 C HIS A 927 0.061 -17.213 11.386 1.00 0.00 C ATOM 124 O HIS A 927 0.673 -17.715 10.455 1.00 0.00 O ATOM 125 CB HIS A 927 -2.291 -17.218 10.945 1.00 0.00 C ATOM 126 CG HIS A 927 -3.704 -17.635 11.198 1.00 0.00 C ATOM 127 ND1 HIS A 927 -4.322 -18.675 10.539 1.00 0.00 N ATOM 128 CD2 HIS A 927 -4.647 -17.092 11.995 1.00 0.00 C ATOM 129 CE1 HIS A 927 -5.576 -18.746 10.920 1.00 0.00 C ATOM 130 NE2 HIS A 927 -5.800 -17.799 11.801 1.00 0.00 N ATOM 0 H HIS A 927 -1.903 -16.646 13.434 1.00 0.00 H new ATOM 0 HA HIS A 927 -1.242 -18.910 11.772 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -2.235 -16.133 11.035 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -2.043 -17.466 9.913 1.00 0.00 H new ATOM 0 HD1 HIS A 927 -3.875 -19.293 9.861 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.515 -16.254 12.663 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -6.302 -19.464 10.568 1.00 0.00 H new ATOM 139 N THR A 928 0.467 -16.116 12.007 1.00 0.00 N ATOM 140 CA THR A 928 1.536 -15.291 11.515 1.00 0.00 C ATOM 141 C THR A 928 1.111 -14.712 10.200 1.00 0.00 C ATOM 142 O THR A 928 1.278 -15.300 9.148 1.00 0.00 O ATOM 143 CB THR A 928 2.860 -16.003 11.304 1.00 0.00 C ATOM 144 OG1 THR A 928 3.149 -16.893 12.399 1.00 0.00 O ATOM 145 CG2 THR A 928 3.985 -14.988 11.166 1.00 0.00 C ATOM 0 H THR A 928 0.053 -15.778 12.876 1.00 0.00 H new ATOM 0 HA THR A 928 1.713 -14.541 12.285 1.00 0.00 H new ATOM 0 HB THR A 928 2.783 -16.590 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.006 -17.341 12.239 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.930 -15.510 11.015 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.788 -14.340 10.312 1.00 0.00 H new ATOM 0 HG23 THR A 928 4.044 -14.385 12.072 1.00 0.00 H new ATOM 153 N GLU A 929 0.472 -13.617 10.277 1.00 0.00 N ATOM 154 CA GLU A 929 0.010 -12.955 9.120 1.00 0.00 C ATOM 155 C GLU A 929 0.623 -11.585 9.121 1.00 0.00 C ATOM 156 O GLU A 929 1.202 -11.156 10.124 1.00 0.00 O ATOM 157 CB GLU A 929 -1.524 -12.924 9.080 1.00 0.00 C ATOM 158 CG GLU A 929 -2.167 -12.355 10.313 1.00 0.00 C ATOM 159 CD GLU A 929 -2.051 -13.234 11.555 1.00 0.00 C ATOM 160 OE1 GLU A 929 -2.746 -14.267 11.635 1.00 0.00 O ATOM 161 OE2 GLU A 929 -1.232 -12.913 12.452 1.00 0.00 O ATOM 0 H GLU A 929 0.249 -13.145 11.153 1.00 0.00 H new ATOM 0 HA GLU A 929 0.310 -13.483 8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -1.841 -12.338 8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -1.892 -13.939 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -1.717 -11.386 10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -3.223 -12.178 10.107 1.00 0.00 H new ATOM 168 N PHE A 930 0.510 -10.920 8.027 1.00 0.00 N ATOM 169 CA PHE A 930 1.091 -9.624 7.834 1.00 0.00 C ATOM 170 C PHE A 930 0.192 -8.886 6.872 1.00 0.00 C ATOM 171 O PHE A 930 -0.148 -9.421 5.821 1.00 0.00 O ATOM 172 CB PHE A 930 2.509 -9.774 7.257 1.00 0.00 C ATOM 173 CG PHE A 930 3.187 -8.477 6.900 1.00 0.00 C ATOM 174 CD1 PHE A 930 3.655 -7.625 7.886 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.355 -8.115 5.573 1.00 0.00 C ATOM 176 CE1 PHE A 930 4.278 -6.437 7.554 1.00 0.00 C ATOM 177 CE2 PHE A 930 3.978 -6.931 5.237 1.00 0.00 C ATOM 178 CZ PHE A 930 4.441 -6.091 6.227 1.00 0.00 C ATOM 0 H PHE A 930 -0.001 -11.265 7.215 1.00 0.00 H new ATOM 0 HA PHE A 930 1.176 -9.076 8.772 1.00 0.00 H new ATOM 0 HB2 PHE A 930 3.127 -10.303 7.983 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.459 -10.399 6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 930 3.532 -7.892 8.925 1.00 0.00 H new ATOM 0 HD2 PHE A 930 2.994 -8.768 4.792 1.00 0.00 H new ATOM 0 HE1 PHE A 930 4.637 -5.780 8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.103 -6.662 4.198 1.00 0.00 H new ATOM 0 HZ PHE A 930 4.930 -5.164 5.965 1.00 0.00 H new ATOM 188 N THR A 931 -0.280 -7.727 7.249 1.00 0.00 N ATOM 189 CA THR A 931 -1.031 -6.938 6.317 1.00 0.00 C ATOM 190 C THR A 931 -0.038 -6.269 5.395 1.00 0.00 C ATOM 191 O THR A 931 0.764 -5.420 5.811 1.00 0.00 O ATOM 192 CB THR A 931 -1.943 -5.913 7.019 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.809 -6.625 7.918 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.787 -5.143 5.999 1.00 0.00 C ATOM 0 H THR A 931 -0.160 -7.317 8.175 1.00 0.00 H new ATOM 0 HA THR A 931 -1.707 -7.577 5.749 1.00 0.00 H new ATOM 0 HB THR A 931 -1.329 -5.194 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.398 -5.990 8.377 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.422 -4.426 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 931 -2.130 -4.613 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.410 -5.842 5.441 1.00 0.00 H new ATOM 202 N ASP A 932 -0.096 -6.668 4.148 1.00 0.00 N ATOM 203 CA ASP A 932 0.871 -6.205 3.181 1.00 0.00 C ATOM 204 C ASP A 932 0.258 -4.983 2.543 1.00 0.00 C ATOM 205 O ASP A 932 -0.964 -4.797 2.639 1.00 0.00 O ATOM 206 CB ASP A 932 1.176 -7.276 2.131 1.00 0.00 C ATOM 207 CG ASP A 932 2.539 -7.099 1.504 1.00 0.00 C ATOM 208 OD1 ASP A 932 2.780 -6.097 0.807 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.403 -7.969 1.709 1.00 0.00 O ATOM 0 H ASP A 932 -0.798 -7.309 3.779 1.00 0.00 H new ATOM 0 HA ASP A 932 1.824 -5.976 3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.118 -8.261 2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.414 -7.244 1.352 1.00 0.00 H new ATOM 214 N GLU A 933 1.038 -4.175 1.877 1.00 0.00 N ATOM 215 CA GLU A 933 0.532 -2.918 1.385 1.00 0.00 C ATOM 216 C GLU A 933 1.481 -2.355 0.339 1.00 0.00 C ATOM 217 O GLU A 933 2.701 -2.487 0.459 1.00 0.00 O ATOM 218 CB GLU A 933 0.357 -1.951 2.565 1.00 0.00 C ATOM 219 CG GLU A 933 1.662 -1.467 3.187 1.00 0.00 C ATOM 220 CD GLU A 933 1.472 -0.672 4.457 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.239 -1.286 5.520 1.00 0.00 O ATOM 222 OE2 GLU A 933 1.574 0.572 4.419 1.00 0.00 O ATOM 0 H GLU A 933 2.018 -4.360 1.663 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.438 -3.062 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 933 -0.212 -1.085 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.237 -2.442 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.294 -2.329 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.194 -0.853 2.461 1.00 0.00 H new ATOM 229 N VAL A 934 0.921 -1.747 -0.686 1.00 0.00 N ATOM 230 CA VAL A 934 1.695 -1.074 -1.725 1.00 0.00 C ATOM 231 C VAL A 934 0.945 0.164 -2.153 1.00 0.00 C ATOM 232 O VAL A 934 -0.243 0.106 -2.449 1.00 0.00 O ATOM 233 CB VAL A 934 2.008 -1.941 -2.989 1.00 0.00 C ATOM 234 CG1 VAL A 934 2.854 -3.127 -2.634 1.00 0.00 C ATOM 235 CG2 VAL A 934 0.764 -2.428 -3.713 1.00 0.00 C ATOM 0 H VAL A 934 -0.088 -1.702 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 934 2.664 -0.846 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 934 2.549 -1.278 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 934 3.056 -3.712 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 934 3.796 -2.786 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 934 2.326 -3.746 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 934 1.056 -3.022 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 934 0.166 -3.040 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 934 0.176 -1.571 -4.043 1.00 0.00 H new ATOM 245 N TYR A 935 1.589 1.298 -2.124 1.00 0.00 N ATOM 246 CA TYR A 935 0.933 2.516 -2.512 1.00 0.00 C ATOM 247 C TYR A 935 0.989 2.682 -4.007 1.00 0.00 C ATOM 248 O TYR A 935 1.927 2.249 -4.658 1.00 0.00 O ATOM 249 CB TYR A 935 1.528 3.724 -1.778 1.00 0.00 C ATOM 250 CG TYR A 935 1.345 3.628 -0.278 1.00 0.00 C ATOM 251 CD1 TYR A 935 2.089 2.730 0.471 1.00 0.00 C ATOM 252 CD2 TYR A 935 0.390 4.391 0.379 1.00 0.00 C ATOM 253 CE1 TYR A 935 1.895 2.597 1.824 1.00 0.00 C ATOM 254 CE2 TYR A 935 0.182 4.258 1.737 1.00 0.00 C ATOM 255 CZ TYR A 935 0.942 3.360 2.452 1.00 0.00 C ATOM 256 OH TYR A 935 0.725 3.194 3.795 1.00 0.00 O ATOM 0 H TYR A 935 2.562 1.404 -1.837 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.116 2.456 -2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.591 3.800 -2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.057 4.637 -2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 935 2.836 2.123 -0.019 1.00 0.00 H new ATOM 0 HD2 TYR A 935 -0.200 5.101 -0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 935 2.489 1.896 2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 935 -0.570 4.853 2.234 1.00 0.00 H new ATOM 0 HH TYR A 935 1.069 2.321 4.076 1.00 0.00 H new ATOM 266 N GLN A 936 -0.018 3.323 -4.522 1.00 0.00 N ATOM 267 CA GLN A 936 -0.162 3.518 -5.935 1.00 0.00 C ATOM 268 C GLN A 936 -0.181 5.012 -6.179 1.00 0.00 C ATOM 269 O GLN A 936 -1.043 5.702 -5.642 1.00 0.00 O ATOM 270 CB GLN A 936 -1.462 2.919 -6.433 1.00 0.00 C ATOM 271 CG GLN A 936 -1.608 2.990 -7.938 1.00 0.00 C ATOM 272 CD GLN A 936 -3.033 2.782 -8.356 1.00 0.00 C ATOM 273 OE1 GLN A 936 -3.485 1.662 -8.591 1.00 0.00 O ATOM 274 NE2 GLN A 936 -3.756 3.868 -8.449 1.00 0.00 N ATOM 0 H GLN A 936 -0.771 3.730 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 936 0.658 3.032 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -1.520 1.878 -6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.298 3.441 -5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -1.260 3.960 -8.294 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -0.976 2.234 -8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.340 4.777 -8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -4.736 3.806 -8.726 1.00 0.00 H new ATOM 283 N ASN A 937 0.743 5.489 -6.969 1.00 0.00 N ATOM 284 CA ASN A 937 0.909 6.916 -7.195 1.00 0.00 C ATOM 285 C ASN A 937 0.490 7.340 -8.592 1.00 0.00 C ATOM 286 O ASN A 937 0.629 6.602 -9.572 1.00 0.00 O ATOM 287 CB ASN A 937 2.366 7.363 -7.008 1.00 0.00 C ATOM 288 CG ASN A 937 2.952 7.011 -5.668 1.00 0.00 C ATOM 289 OD1 ASN A 937 2.881 7.776 -4.704 1.00 0.00 O ATOM 290 ND2 ASN A 937 3.576 5.869 -5.614 1.00 0.00 N ATOM 0 H ASN A 937 1.407 4.906 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 937 0.265 7.390 -6.454 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.976 6.910 -7.789 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.423 8.443 -7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 937 4.031 5.577 -4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 937 3.610 5.267 -6.437 1.00 0.00 H new ATOM 297 N GLU A 938 -0.032 8.537 -8.625 1.00 0.00 N ATOM 298 CA GLU A 938 -0.349 9.299 -9.831 1.00 0.00 C ATOM 299 C GLU A 938 0.077 10.727 -9.563 1.00 0.00 C ATOM 300 O GLU A 938 0.205 11.120 -8.392 1.00 0.00 O ATOM 301 CB GLU A 938 -1.844 9.273 -10.108 1.00 0.00 C ATOM 302 CG GLU A 938 -2.377 7.964 -10.639 1.00 0.00 C ATOM 303 CD GLU A 938 -3.877 7.986 -10.723 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.535 7.702 -9.707 1.00 0.00 O ATOM 305 OE2 GLU A 938 -4.434 8.304 -11.792 1.00 0.00 O ATOM 0 H GLU A 938 -0.265 9.045 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 938 0.162 8.873 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.372 9.515 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -2.078 10.060 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -1.957 7.770 -11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.058 7.148 -9.991 1.00 0.00 H new ATOM 312 N SER A 939 0.259 11.509 -10.600 1.00 0.00 N ATOM 313 CA SER A 939 0.729 12.860 -10.441 1.00 0.00 C ATOM 314 C SER A 939 0.086 13.758 -11.493 1.00 0.00 C ATOM 315 O SER A 939 -0.292 13.296 -12.572 1.00 0.00 O ATOM 316 CB SER A 939 2.258 12.922 -10.557 1.00 0.00 C ATOM 317 OG SER A 939 2.900 11.985 -9.698 1.00 0.00 O ATOM 0 H SER A 939 0.087 11.229 -11.566 1.00 0.00 H new ATOM 0 HA SER A 939 0.448 13.211 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 939 2.551 12.727 -11.589 1.00 0.00 H new ATOM 0 HB3 SER A 939 2.599 13.928 -10.314 1.00 0.00 H new ATOM 0 HG SER A 939 3.872 12.057 -9.804 1.00 0.00 H new ATOM 323 N ARG A 940 -0.054 15.014 -11.132 1.00 0.00 N ATOM 324 CA ARG A 940 -0.629 16.041 -11.968 1.00 0.00 C ATOM 325 C ARG A 940 0.078 17.347 -11.671 1.00 0.00 C ATOM 326 O ARG A 940 0.769 17.449 -10.659 1.00 0.00 O ATOM 327 CB ARG A 940 -2.112 16.230 -11.670 1.00 0.00 C ATOM 328 CG ARG A 940 -2.396 16.759 -10.272 1.00 0.00 C ATOM 329 CD ARG A 940 -3.851 17.119 -10.103 1.00 0.00 C ATOM 330 NE ARG A 940 -4.056 18.014 -8.969 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.243 18.386 -8.491 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.359 17.828 -8.943 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.301 19.318 -7.549 1.00 0.00 N ATOM 0 H ARG A 940 0.239 15.359 -10.218 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.513 15.746 -13.011 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.535 16.919 -12.402 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.623 15.276 -11.798 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.118 16.007 -9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.778 17.637 -10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -4.217 17.595 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.437 16.211 -9.961 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.226 18.384 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -6.313 17.107 -9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -7.262 18.120 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -4.442 19.742 -7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.204 19.610 -7.176 1.00 0.00 H new ATOM 347 N TYR A 941 -0.012 18.302 -12.570 1.00 0.00 N ATOM 348 CA TYR A 941 0.446 19.649 -12.264 1.00 0.00 C ATOM 349 C TYR A 941 -0.623 20.255 -11.361 1.00 0.00 C ATOM 350 O TYR A 941 -1.737 19.713 -11.305 1.00 0.00 O ATOM 351 CB TYR A 941 0.504 20.511 -13.522 1.00 0.00 C ATOM 352 CG TYR A 941 1.057 19.819 -14.748 1.00 0.00 C ATOM 353 CD1 TYR A 941 2.423 19.622 -14.919 1.00 0.00 C ATOM 354 CD2 TYR A 941 0.199 19.369 -15.743 1.00 0.00 C ATOM 355 CE1 TYR A 941 2.914 18.994 -16.052 1.00 0.00 C ATOM 356 CE2 TYR A 941 0.680 18.742 -16.869 1.00 0.00 C ATOM 357 CZ TYR A 941 2.036 18.555 -17.022 1.00 0.00 C ATOM 358 OH TYR A 941 2.505 17.934 -18.161 1.00 0.00 O ATOM 0 H TYR A 941 -0.392 18.179 -13.509 1.00 0.00 H new ATOM 0 HA TYR A 941 1.438 19.612 -11.815 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.502 20.867 -13.747 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.114 21.390 -13.314 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.110 19.963 -14.159 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -0.865 19.514 -15.631 1.00 0.00 H new ATOM 0 HE1 TYR A 941 3.977 18.849 -16.175 1.00 0.00 H new ATOM 0 HE2 TYR A 941 -0.004 18.397 -17.631 1.00 0.00 H new ATOM 0 HH TYR A 941 1.749 17.690 -18.735 1.00 0.00 H new ATOM 368 N PRO A 942 -0.358 21.351 -10.641 1.00 0.00 N ATOM 369 CA PRO A 942 -1.413 22.027 -9.898 1.00 0.00 C ATOM 370 C PRO A 942 -2.399 22.675 -10.865 1.00 0.00 C ATOM 371 O PRO A 942 -2.206 23.809 -11.303 1.00 0.00 O ATOM 372 CB PRO A 942 -0.675 23.085 -9.075 1.00 0.00 C ATOM 373 CG PRO A 942 0.766 22.694 -9.133 1.00 0.00 C ATOM 374 CD PRO A 942 0.946 22.002 -10.452 1.00 0.00 C ATOM 0 HA PRO A 942 -1.993 21.351 -9.270 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -0.829 24.082 -9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -1.036 23.106 -8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 942 1.412 23.569 -9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 942 1.026 22.034 -8.306 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.170 22.706 -11.254 1.00 0.00 H new ATOM 0 HD3 PRO A 942 1.762 21.280 -10.425 1.00 0.00 H new ATOM 382 N GLY A 943 -3.413 21.918 -11.256 1.00 0.00 N ATOM 383 CA GLY A 943 -4.347 22.370 -12.262 1.00 0.00 C ATOM 384 C GLY A 943 -4.509 21.313 -13.343 1.00 0.00 C ATOM 385 O GLY A 943 -5.266 21.499 -14.302 1.00 0.00 O ATOM 0 H GLY A 943 -3.606 20.987 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -5.313 22.582 -11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -3.993 23.301 -12.704 1.00 0.00 H new ATOM 389 N GLY A 944 -3.775 20.209 -13.193 1.00 0.00 N ATOM 390 CA GLY A 944 -3.884 19.104 -14.123 1.00 0.00 C ATOM 391 C GLY A 944 -4.739 18.028 -13.517 1.00 0.00 C ATOM 392 O GLY A 944 -5.351 18.273 -12.473 1.00 0.00 O ATOM 0 H GLY A 944 -3.105 20.065 -12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.320 19.445 -15.062 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.895 18.710 -14.356 1.00 0.00 H new ATOM 396 N ASP A 945 -4.838 16.859 -14.131 1.00 0.00 N ATOM 397 CA ASP A 945 -5.509 15.734 -13.503 1.00 0.00 C ATOM 398 C ASP A 945 -4.505 14.596 -13.436 1.00 0.00 C ATOM 399 O ASP A 945 -3.563 14.570 -14.237 1.00 0.00 O ATOM 400 CB ASP A 945 -6.751 15.310 -14.301 1.00 0.00 C ATOM 401 CG ASP A 945 -7.484 14.141 -13.667 1.00 0.00 C ATOM 402 OD1 ASP A 945 -8.114 14.327 -12.613 1.00 0.00 O ATOM 403 OD2 ASP A 945 -7.454 13.013 -14.215 1.00 0.00 O ATOM 0 H ASP A 945 -4.463 16.666 -15.060 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.854 16.009 -12.506 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -7.431 16.158 -14.384 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -6.452 15.040 -15.314 1.00 0.00 H new ATOM 408 N TRP A 946 -4.687 13.689 -12.494 1.00 0.00 N ATOM 409 CA TRP A 946 -3.746 12.623 -12.215 1.00 0.00 C ATOM 410 C TRP A 946 -3.558 11.697 -13.400 1.00 0.00 C ATOM 411 O TRP A 946 -4.512 11.304 -14.072 1.00 0.00 O ATOM 412 CB TRP A 946 -4.231 11.829 -11.012 1.00 0.00 C ATOM 413 CG TRP A 946 -4.697 12.708 -9.925 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.974 13.043 -9.618 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.863 13.403 -9.023 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.974 13.909 -8.566 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.692 14.139 -8.176 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.489 13.463 -8.852 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -4.193 14.935 -7.164 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.993 14.252 -7.855 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.839 14.976 -7.020 1.00 0.00 C ATOM 0 H TRP A 946 -5.509 13.673 -11.891 1.00 0.00 H new ATOM 0 HA TRP A 946 -2.778 13.079 -12.005 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -5.042 11.167 -11.317 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -3.423 11.195 -10.646 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -6.854 12.680 -10.128 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.804 14.320 -8.139 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.827 12.899 -9.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.847 15.500 -6.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.924 14.316 -7.711 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.411 15.586 -6.238 1.00 0.00 H new ATOM 432 N LYS A 947 -2.312 11.384 -13.641 1.00 0.00 N ATOM 433 CA LYS A 947 -1.876 10.486 -14.687 1.00 0.00 C ATOM 434 C LYS A 947 -0.837 9.594 -14.040 1.00 0.00 C ATOM 435 O LYS A 947 -0.414 9.923 -12.936 1.00 0.00 O ATOM 436 CB LYS A 947 -1.277 11.297 -15.845 1.00 0.00 C ATOM 437 CG LYS A 947 -2.312 12.117 -16.583 1.00 0.00 C ATOM 438 CD LYS A 947 -1.698 13.042 -17.609 1.00 0.00 C ATOM 439 CE LYS A 947 -2.786 13.764 -18.380 1.00 0.00 C ATOM 440 NZ LYS A 947 -3.716 14.499 -17.482 1.00 0.00 N ATOM 0 H LYS A 947 -1.539 11.761 -13.093 1.00 0.00 H new ATOM 0 HA LYS A 947 -2.692 9.896 -15.105 1.00 0.00 H new ATOM 0 HB2 LYS A 947 -0.504 11.960 -15.456 1.00 0.00 H new ATOM 0 HB3 LYS A 947 -0.791 10.618 -16.545 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -3.015 11.447 -17.078 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -2.884 12.705 -15.865 1.00 0.00 H new ATOM 0 HD2 LYS A 947 -1.050 13.766 -17.115 1.00 0.00 H new ATOM 0 HD3 LYS A 947 -1.073 12.472 -18.296 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -2.330 14.464 -19.080 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -3.349 13.043 -18.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -3.984 15.402 -17.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 -4.569 13.926 -17.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -3.247 14.684 -16.573 1.00 0.00 H new ATOM 454 N PRO A 948 -0.413 8.482 -14.665 1.00 0.00 N ATOM 455 CA PRO A 948 0.578 7.577 -14.076 1.00 0.00 C ATOM 456 C PRO A 948 1.815 8.307 -13.554 1.00 0.00 C ATOM 457 O PRO A 948 2.426 9.125 -14.247 1.00 0.00 O ATOM 458 CB PRO A 948 0.956 6.661 -15.240 1.00 0.00 C ATOM 459 CG PRO A 948 -0.256 6.637 -16.100 1.00 0.00 C ATOM 460 CD PRO A 948 -0.867 8.005 -15.978 1.00 0.00 C ATOM 0 HA PRO A 948 0.176 7.053 -13.208 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.821 7.044 -15.782 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.216 5.662 -14.891 1.00 0.00 H new ATOM 0 HG2 PRO A 948 0.003 6.414 -17.135 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.953 5.866 -15.773 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -0.533 8.664 -16.779 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -1.955 7.963 -16.033 1.00 0.00 H new ATOM 468 N ALA A 949 2.148 8.021 -12.309 1.00 0.00 N ATOM 469 CA ALA A 949 3.324 8.606 -11.679 1.00 0.00 C ATOM 470 C ALA A 949 4.603 7.958 -12.221 1.00 0.00 C ATOM 471 O ALA A 949 4.587 7.298 -13.260 1.00 0.00 O ATOM 472 CB ALA A 949 3.243 8.456 -10.176 1.00 0.00 C ATOM 0 H ALA A 949 1.621 7.386 -11.710 1.00 0.00 H new ATOM 0 HA ALA A 949 3.354 9.669 -11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.128 8.897 -9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.352 8.964 -9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 949 3.190 7.398 -9.918 1.00 0.00 H new ATOM 478 N GLU A 950 5.695 8.118 -11.509 1.00 0.00 N ATOM 479 CA GLU A 950 6.977 7.587 -11.944 1.00 0.00 C ATOM 480 C GLU A 950 7.103 6.212 -11.402 1.00 0.00 C ATOM 481 O GLU A 950 7.315 5.232 -12.121 1.00 0.00 O ATOM 482 CB GLU A 950 8.151 8.348 -11.368 1.00 0.00 C ATOM 483 CG GLU A 950 8.367 9.719 -11.907 1.00 0.00 C ATOM 484 CD GLU A 950 7.244 10.688 -11.615 1.00 0.00 C ATOM 485 OE1 GLU A 950 7.034 11.037 -10.431 1.00 0.00 O ATOM 486 OE2 GLU A 950 6.539 11.105 -12.558 1.00 0.00 O ATOM 0 H GLU A 950 5.726 8.615 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 950 6.999 7.648 -13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 950 8.018 8.420 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 950 9.056 7.765 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.292 10.118 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.504 9.655 -12.986 1.00 0.00 H new ATOM 493 N ASP A 951 6.907 6.163 -10.111 1.00 0.00 N ATOM 494 CA ASP A 951 7.055 4.947 -9.410 1.00 0.00 C ATOM 495 C ASP A 951 5.652 4.548 -9.020 1.00 0.00 C ATOM 496 O ASP A 951 5.121 5.048 -8.026 1.00 0.00 O ATOM 497 CB ASP A 951 7.954 5.072 -8.168 1.00 0.00 C ATOM 498 CG ASP A 951 9.374 5.492 -8.484 1.00 0.00 C ATOM 499 OD1 ASP A 951 10.138 4.692 -9.071 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.763 6.630 -8.126 1.00 0.00 O ATOM 0 H ASP A 951 6.644 6.963 -9.535 1.00 0.00 H new ATOM 0 HA ASP A 951 7.549 4.202 -10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.514 5.797 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.975 4.114 -7.648 1.00 0.00 H new ATOM 505 N THR A 952 5.012 3.761 -9.863 1.00 0.00 N ATOM 506 CA THR A 952 3.612 3.426 -9.690 1.00 0.00 C ATOM 507 C THR A 952 3.354 2.758 -8.339 1.00 0.00 C ATOM 508 O THR A 952 2.561 3.264 -7.544 1.00 0.00 O ATOM 509 CB THR A 952 3.119 2.541 -10.848 1.00 0.00 C ATOM 510 OG1 THR A 952 3.558 3.110 -12.092 1.00 0.00 O ATOM 511 CG2 THR A 952 1.599 2.448 -10.856 1.00 0.00 C ATOM 0 H THR A 952 5.445 3.338 -10.683 1.00 0.00 H new ATOM 0 HA THR A 952 3.044 4.356 -9.704 1.00 0.00 H new ATOM 0 HB THR A 952 3.529 1.539 -10.718 1.00 0.00 H new ATOM 0 HG1 THR A 952 3.249 2.550 -12.835 1.00 0.00 H new ATOM 0 HG21 THR A 952 1.277 1.817 -11.684 1.00 0.00 H new ATOM 0 HG22 THR A 952 1.256 2.016 -9.916 1.00 0.00 H new ATOM 0 HG23 THR A 952 1.174 3.445 -10.973 1.00 0.00 H new ATOM 519 N TYR A 953 4.011 1.648 -8.064 1.00 0.00 N ATOM 520 CA TYR A 953 3.831 0.998 -6.786 1.00 0.00 C ATOM 521 C TYR A 953 5.034 1.227 -5.870 1.00 0.00 C ATOM 522 O TYR A 953 6.183 1.153 -6.304 1.00 0.00 O ATOM 523 CB TYR A 953 3.441 -0.463 -6.984 1.00 0.00 C ATOM 524 CG TYR A 953 2.047 -0.539 -7.578 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.925 -0.397 -6.769 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.847 -0.692 -8.942 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.351 -0.422 -7.304 1.00 0.00 C ATOM 528 CE2 TYR A 953 0.574 -0.714 -9.484 1.00 0.00 C ATOM 529 CZ TYR A 953 -0.522 -0.580 -8.660 1.00 0.00 C ATOM 530 OH TYR A 953 -1.794 -0.609 -9.196 1.00 0.00 O ATOM 0 H TYR A 953 4.663 1.186 -8.698 1.00 0.00 H new ATOM 0 HA TYR A 953 2.995 1.455 -6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 953 4.156 -0.955 -7.643 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.471 -0.991 -6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 953 1.052 -0.265 -5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 953 2.702 -0.796 -9.594 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.211 -0.318 -6.659 1.00 0.00 H new ATOM 0 HE2 TYR A 953 0.440 -0.836 -10.549 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.279 0.200 -8.931 1.00 0.00 H new ATOM 540 N THR A 954 4.757 1.521 -4.606 1.00 0.00 N ATOM 541 CA THR A 954 5.747 2.009 -3.641 1.00 0.00 C ATOM 542 C THR A 954 5.424 1.583 -2.215 1.00 0.00 C ATOM 543 O THR A 954 4.456 0.876 -1.956 1.00 0.00 O ATOM 544 CB THR A 954 5.763 3.551 -3.678 1.00 0.00 C ATOM 545 OG1 THR A 954 4.417 4.027 -3.806 1.00 0.00 O ATOM 546 CG2 THR A 954 6.622 4.089 -4.817 1.00 0.00 C ATOM 0 H THR A 954 3.822 1.427 -4.211 1.00 0.00 H new ATOM 0 HA THR A 954 6.711 1.584 -3.920 1.00 0.00 H new ATOM 0 HB THR A 954 6.205 3.911 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.236 4.689 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.603 5.179 -4.803 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.648 3.742 -4.694 1.00 0.00 H new ATOM 0 HG23 THR A 954 6.230 3.731 -5.769 1.00 0.00 H new ATOM 554 N ASP A 955 6.266 2.034 -1.316 1.00 0.00 N ATOM 555 CA ASP A 955 6.107 1.895 0.115 1.00 0.00 C ATOM 556 C ASP A 955 5.788 3.301 0.585 1.00 0.00 C ATOM 557 O ASP A 955 5.980 4.234 -0.205 1.00 0.00 O ATOM 558 CB ASP A 955 7.432 1.399 0.723 1.00 0.00 C ATOM 559 CG ASP A 955 7.481 1.398 2.241 1.00 0.00 C ATOM 560 OD1 ASP A 955 7.846 2.435 2.835 1.00 0.00 O ATOM 561 OD2 ASP A 955 7.189 0.357 2.861 1.00 0.00 O ATOM 0 H ASP A 955 7.119 2.530 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 955 5.335 1.182 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 955 7.621 0.386 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.243 2.024 0.349 1.00 0.00 H new ATOM 566 N ALA A 956 5.291 3.483 1.798 1.00 0.00 N ATOM 567 CA ALA A 956 5.034 4.825 2.317 1.00 0.00 C ATOM 568 C ALA A 956 6.287 5.707 2.240 1.00 0.00 C ATOM 569 O ALA A 956 6.196 6.928 2.107 1.00 0.00 O ATOM 570 CB ALA A 956 4.515 4.755 3.743 1.00 0.00 C ATOM 0 H ALA A 956 5.057 2.727 2.441 1.00 0.00 H new ATOM 0 HA ALA A 956 4.269 5.283 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 956 4.329 5.764 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 956 3.587 4.184 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 956 5.256 4.267 4.376 1.00 0.00 H new ATOM 576 N ASN A 957 7.459 5.087 2.323 1.00 0.00 N ATOM 577 CA ASN A 957 8.729 5.804 2.210 1.00 0.00 C ATOM 578 C ASN A 957 9.143 6.053 0.757 1.00 0.00 C ATOM 579 O ASN A 957 10.109 6.773 0.512 1.00 0.00 O ATOM 580 CB ASN A 957 9.853 5.042 2.927 1.00 0.00 C ATOM 581 CG ASN A 957 9.648 4.941 4.427 1.00 0.00 C ATOM 582 OD1 ASN A 957 10.096 5.798 5.190 1.00 0.00 O ATOM 583 ND2 ASN A 957 8.971 3.902 4.868 1.00 0.00 N ATOM 0 H ASN A 957 7.558 4.082 2.469 1.00 0.00 H new ATOM 0 HA ASN A 957 8.571 6.772 2.686 1.00 0.00 H new ATOM 0 HB2 ASN A 957 9.926 4.038 2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 957 10.803 5.539 2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 957 8.804 3.789 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 957 8.613 3.210 4.210 1.00 0.00 H new ATOM 590 N GLY A 958 8.439 5.471 -0.213 1.00 0.00 N ATOM 591 CA GLY A 958 8.798 5.693 -1.600 1.00 0.00 C ATOM 592 C GLY A 958 9.580 4.547 -2.172 1.00 0.00 C ATOM 593 O GLY A 958 9.952 4.574 -3.346 1.00 0.00 O ATOM 0 H GLY A 958 7.637 4.858 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.893 5.843 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 958 9.385 6.608 -1.680 1.00 0.00 H new ATOM 597 N ASP A 959 9.876 3.577 -1.316 1.00 0.00 N ATOM 598 CA ASP A 959 10.547 2.351 -1.731 1.00 0.00 C ATOM 599 C ASP A 959 9.699 1.656 -2.774 1.00 0.00 C ATOM 600 O ASP A 959 8.674 1.063 -2.448 1.00 0.00 O ATOM 601 CB ASP A 959 10.802 1.420 -0.537 1.00 0.00 C ATOM 602 CG ASP A 959 11.439 0.100 -0.942 1.00 0.00 C ATOM 603 OD1 ASP A 959 12.564 0.108 -1.476 1.00 0.00 O ATOM 604 OD2 ASP A 959 10.845 -0.970 -0.691 1.00 0.00 O ATOM 0 H ASP A 959 9.659 3.617 -0.320 1.00 0.00 H new ATOM 0 HA ASP A 959 11.518 2.606 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 959 11.449 1.925 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 959 9.858 1.222 -0.029 1.00 0.00 H new ATOM 609 N LYS A 960 10.071 1.852 -4.028 1.00 0.00 N ATOM 610 CA LYS A 960 9.347 1.300 -5.159 1.00 0.00 C ATOM 611 C LYS A 960 9.157 -0.199 -4.981 1.00 0.00 C ATOM 612 O LYS A 960 10.100 -0.942 -4.695 1.00 0.00 O ATOM 613 CB LYS A 960 10.071 1.659 -6.471 1.00 0.00 C ATOM 614 CG LYS A 960 9.352 1.261 -7.760 1.00 0.00 C ATOM 615 CD LYS A 960 9.557 -0.197 -8.134 1.00 0.00 C ATOM 616 CE LYS A 960 8.833 -0.543 -9.421 1.00 0.00 C ATOM 617 NZ LYS A 960 9.136 -1.923 -9.879 1.00 0.00 N ATOM 0 H LYS A 960 10.889 2.402 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 960 8.351 1.739 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 960 10.238 2.736 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 960 11.052 1.184 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 960 8.285 1.454 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 960 9.706 1.892 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 960 10.622 -0.399 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 960 9.196 -0.836 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 960 7.758 -0.439 -9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 960 9.117 0.167 -10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 8.621 -2.117 -10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 10.158 -2.016 -10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 8.842 -2.603 -9.149 1.00 0.00 H new ATOM 631 N ALA A 961 7.928 -0.621 -5.147 1.00 0.00 N ATOM 632 CA ALA A 961 7.548 -1.991 -4.939 1.00 0.00 C ATOM 633 C ALA A 961 7.030 -2.577 -6.232 1.00 0.00 C ATOM 634 O ALA A 961 6.860 -1.860 -7.220 1.00 0.00 O ATOM 635 CB ALA A 961 6.498 -2.087 -3.838 1.00 0.00 C ATOM 0 H ALA A 961 7.158 -0.016 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 961 8.420 -2.563 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 961 6.219 -3.130 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 961 6.906 -1.686 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 961 5.617 -1.513 -4.125 1.00 0.00 H new ATOM 641 N ALA A 962 6.812 -3.873 -6.232 1.00 0.00 N ATOM 642 CA ALA A 962 6.254 -4.542 -7.384 1.00 0.00 C ATOM 643 C ALA A 962 4.776 -4.215 -7.460 1.00 0.00 C ATOM 644 O ALA A 962 4.179 -3.795 -6.467 1.00 0.00 O ATOM 645 CB ALA A 962 6.474 -6.042 -7.280 1.00 0.00 C ATOM 0 H ALA A 962 7.014 -4.487 -5.443 1.00 0.00 H new ATOM 0 HA ALA A 962 6.749 -4.199 -8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 962 6.048 -6.534 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.543 -6.250 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 962 5.989 -6.419 -6.380 1.00 0.00 H new ATOM 651 N SER A 963 4.180 -4.391 -8.610 1.00 0.00 N ATOM 652 CA SER A 963 2.792 -4.109 -8.749 1.00 0.00 C ATOM 653 C SER A 963 2.012 -5.358 -8.315 1.00 0.00 C ATOM 654 O SER A 963 2.533 -6.465 -8.404 1.00 0.00 O ATOM 655 CB SER A 963 2.509 -3.691 -10.188 1.00 0.00 C ATOM 656 OG SER A 963 3.537 -2.842 -10.693 1.00 0.00 O ATOM 0 H SER A 963 4.640 -4.727 -9.456 1.00 0.00 H new ATOM 0 HA SER A 963 2.475 -3.280 -8.116 1.00 0.00 H new ATOM 0 HB2 SER A 963 2.425 -4.578 -10.817 1.00 0.00 H new ATOM 0 HB3 SER A 963 1.551 -3.174 -10.237 1.00 0.00 H new ATOM 0 HG SER A 963 3.330 -2.591 -11.617 1.00 0.00 H new ATOM 662 N PRO A 964 0.781 -5.183 -7.815 1.00 0.00 N ATOM 663 CA PRO A 964 -0.041 -6.240 -7.191 1.00 0.00 C ATOM 664 C PRO A 964 -0.162 -7.583 -7.931 1.00 0.00 C ATOM 665 O PRO A 964 -0.333 -8.616 -7.286 1.00 0.00 O ATOM 666 CB PRO A 964 -1.419 -5.603 -7.042 1.00 0.00 C ATOM 667 CG PRO A 964 -1.354 -4.277 -7.717 1.00 0.00 C ATOM 668 CD PRO A 964 0.094 -3.902 -7.786 1.00 0.00 C ATOM 0 HA PRO A 964 0.449 -6.539 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -2.186 -6.231 -7.495 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -1.681 -5.489 -5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -1.789 -4.329 -8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -1.921 -3.531 -7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.312 -3.310 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.395 -3.306 -6.924 1.00 0.00 H new ATOM 676 N SER A 965 -0.088 -7.596 -9.248 1.00 0.00 N ATOM 677 CA SER A 965 -0.196 -8.850 -9.981 1.00 0.00 C ATOM 678 C SER A 965 1.186 -9.482 -10.118 1.00 0.00 C ATOM 679 O SER A 965 1.338 -10.708 -10.113 1.00 0.00 O ATOM 680 CB SER A 965 -0.860 -8.614 -11.339 1.00 0.00 C ATOM 681 OG SER A 965 -2.148 -8.045 -11.154 1.00 0.00 O ATOM 0 H SER A 965 0.044 -6.768 -9.828 1.00 0.00 H new ATOM 0 HA SER A 965 -0.829 -9.547 -9.431 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.243 -7.950 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 965 -0.943 -9.556 -11.882 1.00 0.00 H new ATOM 0 HG SER A 965 -2.568 -7.895 -12.027 1.00 0.00 H new ATOM 687 N GLU A 966 2.187 -8.625 -10.280 1.00 0.00 N ATOM 688 CA GLU A 966 3.586 -9.045 -10.260 1.00 0.00 C ATOM 689 C GLU A 966 3.959 -9.568 -8.861 1.00 0.00 C ATOM 690 O GLU A 966 4.867 -10.398 -8.714 1.00 0.00 O ATOM 691 CB GLU A 966 4.495 -7.877 -10.674 1.00 0.00 C ATOM 692 CG GLU A 966 5.973 -8.232 -10.750 1.00 0.00 C ATOM 693 CD GLU A 966 6.837 -7.076 -11.203 1.00 0.00 C ATOM 694 OE1 GLU A 966 7.272 -6.267 -10.363 1.00 0.00 O ATOM 695 OE2 GLU A 966 7.118 -6.959 -12.406 1.00 0.00 O ATOM 0 H GLU A 966 2.055 -7.625 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 966 3.728 -9.855 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 966 4.171 -7.507 -11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 966 4.365 -7.061 -9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 966 6.311 -8.568 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 966 6.105 -9.068 -11.437 1.00 0.00 H new ATOM 702 N LEU A 967 3.241 -9.086 -7.852 1.00 0.00 N ATOM 703 CA LEU A 967 3.393 -9.518 -6.483 1.00 0.00 C ATOM 704 C LEU A 967 2.775 -10.892 -6.291 1.00 0.00 C ATOM 705 O LEU A 967 1.588 -11.107 -6.549 1.00 0.00 O ATOM 706 CB LEU A 967 2.771 -8.465 -5.567 1.00 0.00 C ATOM 707 CG LEU A 967 3.666 -7.247 -5.326 1.00 0.00 C ATOM 708 CD1 LEU A 967 2.898 -6.137 -4.648 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.866 -7.638 -4.479 1.00 0.00 C ATOM 0 H LEU A 967 2.525 -8.370 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 967 4.448 -9.614 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.829 -8.131 -6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.535 -8.926 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 967 4.012 -6.884 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.557 -5.284 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 967 2.061 -5.836 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.521 -6.489 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.495 -6.764 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.523 -8.025 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.441 -8.407 -4.995 1.00 0.00 H new ATOM 721 N THR A 968 3.598 -11.807 -5.839 1.00 0.00 N ATOM 722 CA THR A 968 3.229 -13.195 -5.699 1.00 0.00 C ATOM 723 C THR A 968 3.469 -13.666 -4.270 1.00 0.00 C ATOM 724 O THR A 968 4.064 -12.943 -3.467 1.00 0.00 O ATOM 725 CB THR A 968 4.045 -14.059 -6.689 1.00 0.00 C ATOM 726 OG1 THR A 968 5.448 -13.746 -6.585 1.00 0.00 O ATOM 727 CG2 THR A 968 3.577 -13.835 -8.120 1.00 0.00 C ATOM 0 H THR A 968 4.556 -11.606 -5.554 1.00 0.00 H new ATOM 0 HA THR A 968 2.168 -13.301 -5.925 1.00 0.00 H new ATOM 0 HB THR A 968 3.888 -15.106 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 968 5.954 -14.300 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 968 4.166 -14.454 -8.797 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.524 -14.105 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 968 3.705 -12.785 -8.384 1.00 0.00 H new ATOM 735 N CYS A 969 2.984 -14.845 -3.934 1.00 0.00 N ATOM 736 CA CYS A 969 3.196 -15.375 -2.606 1.00 0.00 C ATOM 737 C CYS A 969 4.440 -16.242 -2.579 1.00 0.00 C ATOM 738 O CYS A 969 4.664 -17.049 -3.484 1.00 0.00 O ATOM 739 CB CYS A 969 1.983 -16.170 -2.118 1.00 0.00 C ATOM 740 SG CYS A 969 1.504 -17.556 -3.172 1.00 0.00 S ATOM 0 H CYS A 969 2.446 -15.448 -4.557 1.00 0.00 H new ATOM 0 HA CYS A 969 3.335 -14.532 -1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.195 -16.550 -1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.135 -15.491 -2.028 1.00 0.00 H new ATOM 0 HG CYS A 969 2.546 -17.993 -3.814 1.00 0.00 H new ATOM 746 N PRO A 970 5.292 -16.049 -1.570 1.00 0.00 N ATOM 747 CA PRO A 970 6.486 -16.878 -1.383 1.00 0.00 C ATOM 748 C PRO A 970 6.111 -18.257 -0.810 1.00 0.00 C ATOM 749 O PRO A 970 4.958 -18.460 -0.399 1.00 0.00 O ATOM 750 CB PRO A 970 7.307 -16.051 -0.391 1.00 0.00 C ATOM 751 CG PRO A 970 6.297 -15.333 0.408 1.00 0.00 C ATOM 752 CD PRO A 970 5.189 -14.990 -0.545 1.00 0.00 C ATOM 0 HA PRO A 970 7.025 -17.095 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 970 7.932 -16.687 0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 970 7.973 -15.358 -0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 970 5.931 -15.954 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 970 6.720 -14.434 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.216 -14.998 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.320 -13.997 -0.976 1.00 0.00 H new ATOM 760 N PRO A 971 7.060 -19.219 -0.755 1.00 0.00 N ATOM 761 CA PRO A 971 6.791 -20.594 -0.291 1.00 0.00 C ATOM 762 C PRO A 971 6.198 -20.704 1.122 1.00 0.00 C ATOM 763 O PRO A 971 5.622 -21.741 1.467 1.00 0.00 O ATOM 764 CB PRO A 971 8.163 -21.279 -0.343 1.00 0.00 C ATOM 765 CG PRO A 971 9.153 -20.169 -0.421 1.00 0.00 C ATOM 766 CD PRO A 971 8.467 -19.066 -1.167 1.00 0.00 C ATOM 0 HA PRO A 971 6.029 -21.051 -0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 971 8.330 -21.893 0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.241 -21.938 -1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 971 9.453 -19.841 0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 971 10.058 -20.487 -0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 971 8.863 -18.087 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.587 -19.172 -2.245 1.00 0.00 H new ATOM 774 N GLY A 972 6.342 -19.677 1.951 1.00 0.00 N ATOM 775 CA GLY A 972 5.794 -19.730 3.281 1.00 0.00 C ATOM 776 C GLY A 972 4.713 -18.696 3.509 1.00 0.00 C ATOM 777 O GLY A 972 4.335 -18.443 4.640 1.00 0.00 O ATOM 0 H GLY A 972 6.829 -18.811 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 972 5.384 -20.724 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 972 6.594 -19.579 4.006 1.00 0.00 H new ATOM 781 N TRP A 973 4.189 -18.101 2.450 1.00 0.00 N ATOM 782 CA TRP A 973 3.125 -17.125 2.611 1.00 0.00 C ATOM 783 C TRP A 973 1.940 -17.454 1.692 1.00 0.00 C ATOM 784 O TRP A 973 2.099 -17.705 0.507 1.00 0.00 O ATOM 785 CB TRP A 973 3.647 -15.680 2.471 1.00 0.00 C ATOM 786 CG TRP A 973 4.537 -15.228 3.619 1.00 0.00 C ATOM 787 CD1 TRP A 973 5.900 -15.270 3.656 1.00 0.00 C ATOM 788 CD2 TRP A 973 4.138 -14.694 4.899 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.364 -14.789 4.848 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.307 -14.435 5.633 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.915 -14.409 5.498 1.00 0.00 C ATOM 792 CZ2 TRP A 973 5.283 -13.910 6.923 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.884 -13.904 6.784 1.00 0.00 C ATOM 794 CH2 TRP A 973 4.064 -13.660 7.487 1.00 0.00 C ATOM 0 H TRP A 973 4.477 -18.272 1.486 1.00 0.00 H new ATOM 0 HA TRP A 973 2.744 -17.189 3.630 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.204 -15.595 1.538 1.00 0.00 H new ATOM 0 HB3 TRP A 973 2.796 -15.003 2.397 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.526 -15.633 2.854 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.347 -14.708 5.109 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.994 -14.582 4.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 6.198 -13.707 7.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.933 -13.695 7.251 1.00 0.00 H new ATOM 0 HH2 TRP A 973 4.013 -13.268 8.492 1.00 0.00 H new ATOM 805 N GLU A 974 0.771 -17.515 2.304 1.00 0.00 N ATOM 806 CA GLU A 974 -0.498 -17.917 1.743 1.00 0.00 C ATOM 807 C GLU A 974 -1.359 -16.676 1.556 1.00 0.00 C ATOM 808 O GLU A 974 -1.629 -15.976 2.523 1.00 0.00 O ATOM 809 CB GLU A 974 -1.115 -18.848 2.800 1.00 0.00 C ATOM 810 CG GLU A 974 -2.557 -19.265 2.604 1.00 0.00 C ATOM 811 CD GLU A 974 -2.772 -20.112 1.373 1.00 0.00 C ATOM 812 OE1 GLU A 974 -2.567 -21.338 1.441 1.00 0.00 O ATOM 813 OE2 GLU A 974 -3.155 -19.567 0.319 1.00 0.00 O ATOM 0 H GLU A 974 0.682 -17.263 3.288 1.00 0.00 H new ATOM 0 HA GLU A 974 -0.408 -18.412 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 974 -0.507 -19.751 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -1.035 -18.356 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -2.890 -19.820 3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -3.180 -18.373 2.536 1.00 0.00 H new ATOM 820 N TRP A 975 -1.739 -16.353 0.343 1.00 0.00 N ATOM 821 CA TRP A 975 -2.625 -15.203 0.157 1.00 0.00 C ATOM 822 C TRP A 975 -4.009 -15.489 0.693 1.00 0.00 C ATOM 823 O TRP A 975 -4.773 -16.260 0.101 1.00 0.00 O ATOM 824 CB TRP A 975 -2.758 -14.718 -1.289 1.00 0.00 C ATOM 825 CG TRP A 975 -1.523 -14.120 -1.856 1.00 0.00 C ATOM 826 CD1 TRP A 975 -0.885 -14.506 -2.984 1.00 0.00 C ATOM 827 CD2 TRP A 975 -0.782 -13.015 -1.323 1.00 0.00 C ATOM 828 NE1 TRP A 975 0.211 -13.715 -3.189 1.00 0.00 N ATOM 829 CE2 TRP A 975 0.306 -12.796 -2.179 1.00 0.00 C ATOM 830 CE3 TRP A 975 -0.930 -12.195 -0.205 1.00 0.00 C ATOM 831 CZ2 TRP A 975 1.246 -11.792 -1.949 1.00 0.00 C ATOM 832 CZ3 TRP A 975 0.000 -11.198 0.017 1.00 0.00 C ATOM 833 CH2 TRP A 975 1.077 -11.005 -0.848 1.00 0.00 C ATOM 0 H TRP A 975 -1.467 -16.843 -0.509 1.00 0.00 H new ATOM 0 HA TRP A 975 -2.143 -14.403 0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.059 -15.559 -1.914 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.559 -13.981 -1.339 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.195 -15.317 -3.626 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.858 -13.797 -3.973 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -1.757 -12.337 0.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 2.079 -11.643 -2.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.109 -10.555 0.878 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.789 -10.219 -0.643 1.00 0.00 H new ATOM 844 N GLU A 976 -4.301 -14.901 1.838 1.00 0.00 N ATOM 845 CA GLU A 976 -5.619 -14.983 2.419 1.00 0.00 C ATOM 846 C GLU A 976 -6.556 -14.142 1.576 1.00 0.00 C ATOM 847 O GLU A 976 -7.611 -14.594 1.124 1.00 0.00 O ATOM 848 CB GLU A 976 -5.635 -14.417 3.836 1.00 0.00 C ATOM 849 CG GLU A 976 -7.021 -14.450 4.464 1.00 0.00 C ATOM 850 CD GLU A 976 -7.109 -13.636 5.723 1.00 0.00 C ATOM 851 OE1 GLU A 976 -6.570 -14.057 6.748 1.00 0.00 O ATOM 852 OE2 GLU A 976 -7.695 -12.541 5.708 1.00 0.00 O ATOM 0 H GLU A 976 -3.633 -14.358 2.385 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.922 -16.029 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -4.945 -14.986 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.273 -13.389 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -7.750 -14.078 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -7.290 -15.483 4.685 1.00 0.00 H new ATOM 859 N ASP A 977 -6.123 -12.913 1.354 1.00 0.00 N ATOM 860 CA ASP A 977 -6.933 -11.902 0.709 1.00 0.00 C ATOM 861 C ASP A 977 -7.037 -12.166 -0.782 1.00 0.00 C ATOM 862 O ASP A 977 -6.079 -12.628 -1.417 1.00 0.00 O ATOM 863 CB ASP A 977 -6.316 -10.529 0.958 1.00 0.00 C ATOM 864 CG ASP A 977 -7.269 -9.400 0.660 1.00 0.00 C ATOM 865 OD1 ASP A 977 -7.620 -9.185 -0.503 1.00 0.00 O ATOM 866 OD2 ASP A 977 -7.667 -8.694 1.605 1.00 0.00 O ATOM 0 H ASP A 977 -5.193 -12.589 1.619 1.00 0.00 H new ATOM 0 HA ASP A 977 -7.939 -11.933 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.995 -10.463 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -5.424 -10.419 0.341 1.00 0.00 H new ATOM 871 N ASP A 978 -8.189 -11.855 -1.331 1.00 0.00 N ATOM 872 CA ASP A 978 -8.487 -12.073 -2.739 1.00 0.00 C ATOM 873 C ASP A 978 -7.770 -11.113 -3.667 1.00 0.00 C ATOM 874 O ASP A 978 -7.346 -11.521 -4.747 1.00 0.00 O ATOM 875 CB ASP A 978 -9.988 -11.992 -3.005 1.00 0.00 C ATOM 876 CG ASP A 978 -10.711 -13.261 -2.641 1.00 0.00 C ATOM 877 OD1 ASP A 978 -10.925 -13.524 -1.440 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.078 -14.027 -3.564 1.00 0.00 O ATOM 0 H ASP A 978 -8.960 -11.437 -0.810 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.121 -13.076 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.409 -11.163 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.155 -11.773 -4.060 1.00 0.00 H new ATOM 883 N ALA A 979 -7.606 -9.864 -3.265 1.00 0.00 N ATOM 884 CA ALA A 979 -7.035 -8.863 -4.154 1.00 0.00 C ATOM 885 C ALA A 979 -6.653 -7.620 -3.387 1.00 0.00 C ATOM 886 O ALA A 979 -7.278 -7.278 -2.385 1.00 0.00 O ATOM 887 CB ALA A 979 -8.017 -8.494 -5.260 1.00 0.00 C ATOM 0 H ALA A 979 -7.857 -9.520 -2.338 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.140 -9.294 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -7.567 -7.744 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.259 -9.383 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -8.928 -8.091 -4.818 1.00 0.00 H new ATOM 893 N TRP A 980 -5.638 -6.936 -3.875 1.00 0.00 N ATOM 894 CA TRP A 980 -5.187 -5.720 -3.236 1.00 0.00 C ATOM 895 C TRP A 980 -6.310 -4.713 -3.348 1.00 0.00 C ATOM 896 O TRP A 980 -6.772 -4.388 -4.450 1.00 0.00 O ATOM 897 CB TRP A 980 -3.896 -5.172 -3.849 1.00 0.00 C ATOM 898 CG TRP A 980 -2.764 -6.157 -3.852 1.00 0.00 C ATOM 899 CD1 TRP A 980 -2.658 -7.266 -4.633 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.571 -6.121 -3.056 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.485 -7.919 -4.381 1.00 0.00 N ATOM 902 CE2 TRP A 980 -0.796 -7.241 -3.423 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.077 -5.259 -2.073 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.434 -7.522 -2.851 1.00 0.00 C ATOM 905 CZ3 TRP A 980 0.150 -5.540 -1.499 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.894 -6.661 -1.891 1.00 0.00 C ATOM 0 H TRP A 980 -5.113 -7.201 -4.708 1.00 0.00 H new ATOM 0 HA TRP A 980 -4.947 -5.928 -2.193 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.095 -4.858 -4.874 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.591 -4.283 -3.297 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.398 -7.585 -5.352 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.175 -8.777 -4.837 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.642 -4.391 -1.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 1.008 -8.387 -3.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.541 -4.884 -0.735 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.850 -6.850 -1.426 1.00 0.00 H new ATOM 917 N SER A 981 -6.769 -4.271 -2.215 1.00 0.00 N ATOM 918 CA SER A 981 -7.920 -3.402 -2.136 1.00 0.00 C ATOM 919 C SER A 981 -7.422 -2.088 -1.579 1.00 0.00 C ATOM 920 O SER A 981 -6.241 -1.936 -1.435 1.00 0.00 O ATOM 921 CB SER A 981 -8.970 -4.056 -1.240 1.00 0.00 C ATOM 922 OG SER A 981 -9.257 -5.372 -1.709 1.00 0.00 O ATOM 0 H SER A 981 -6.357 -4.501 -1.310 1.00 0.00 H new ATOM 0 HA SER A 981 -8.392 -3.230 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 981 -8.609 -4.098 -0.212 1.00 0.00 H new ATOM 0 HB3 SER A 981 -9.880 -3.456 -1.234 1.00 0.00 H new ATOM 0 HG SER A 981 -8.432 -5.900 -1.727 1.00 0.00 H new ATOM 928 N TYR A 982 -8.260 -1.151 -1.253 1.00 0.00 N ATOM 929 CA TYR A 982 -7.770 0.124 -0.763 1.00 0.00 C ATOM 930 C TYR A 982 -8.089 0.261 0.708 1.00 0.00 C ATOM 931 O TYR A 982 -9.137 -0.202 1.169 1.00 0.00 O ATOM 932 CB TYR A 982 -8.317 1.277 -1.615 1.00 0.00 C ATOM 933 CG TYR A 982 -9.801 1.191 -1.877 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.288 0.249 -2.772 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.705 2.021 -1.234 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.632 0.133 -3.025 1.00 0.00 C ATOM 937 CE2 TYR A 982 -12.058 1.911 -1.480 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.513 0.965 -2.379 1.00 0.00 C ATOM 939 OH TYR A 982 -13.861 0.834 -2.617 1.00 0.00 O ATOM 0 H TYR A 982 -9.275 -1.232 -1.312 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.685 0.168 -0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -8.100 2.221 -1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.790 1.293 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.596 -0.406 -3.280 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.347 2.761 -0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -11.993 -0.606 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.757 2.560 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 982 -14.353 1.493 -2.084 1.00 0.00 H new ATOM 949 N ASP A 983 -7.190 0.874 1.444 1.00 0.00 N ATOM 950 CA ASP A 983 -7.286 0.914 2.895 1.00 0.00 C ATOM 951 C ASP A 983 -7.708 2.286 3.383 1.00 0.00 C ATOM 952 O ASP A 983 -7.166 3.303 2.950 1.00 0.00 O ATOM 953 CB ASP A 983 -5.945 0.531 3.510 1.00 0.00 C ATOM 954 CG ASP A 983 -5.902 0.694 5.015 1.00 0.00 C ATOM 955 OD1 ASP A 983 -6.356 -0.206 5.744 1.00 0.00 O ATOM 956 OD2 ASP A 983 -5.379 1.725 5.482 1.00 0.00 O ATOM 0 H ASP A 983 -6.376 1.357 1.063 1.00 0.00 H new ATOM 0 HA ASP A 983 -8.048 0.199 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.722 -0.506 3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.161 1.143 3.064 1.00 0.00 H new ATOM 961 N ILE A 984 -8.690 2.299 4.261 1.00 0.00 N ATOM 962 CA ILE A 984 -9.182 3.527 4.856 1.00 0.00 C ATOM 963 C ILE A 984 -8.799 3.631 6.329 1.00 0.00 C ATOM 964 O ILE A 984 -9.445 4.340 7.100 1.00 0.00 O ATOM 965 CB ILE A 984 -10.720 3.688 4.660 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.518 2.393 4.938 1.00 0.00 C ATOM 967 CG2 ILE A 984 -11.016 4.184 3.256 1.00 0.00 C ATOM 968 CD1 ILE A 984 -11.555 1.922 6.380 1.00 0.00 C ATOM 0 H ILE A 984 -9.170 1.459 4.583 1.00 0.00 H new ATOM 0 HA ILE A 984 -8.698 4.351 4.332 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.048 4.420 5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -12.544 2.544 4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.097 1.594 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -12.093 4.293 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.532 5.148 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.636 3.467 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -12.143 1.007 6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -10.540 1.728 6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -12.009 2.693 7.003 1.00 0.00 H new ATOM 980 N ASN A 985 -7.675 3.035 6.702 1.00 0.00 N ATOM 981 CA ASN A 985 -7.280 2.968 8.104 1.00 0.00 C ATOM 982 C ASN A 985 -6.126 3.952 8.311 1.00 0.00 C ATOM 983 O ASN A 985 -5.284 3.817 9.193 1.00 0.00 O ATOM 984 CB ASN A 985 -6.880 1.522 8.442 1.00 0.00 C ATOM 985 CG ASN A 985 -6.702 1.245 9.926 1.00 0.00 C ATOM 986 OD1 ASN A 985 -5.605 1.363 10.479 1.00 0.00 O ATOM 987 ND2 ASN A 985 -7.773 0.844 10.578 1.00 0.00 N ATOM 0 H ASN A 985 -7.022 2.592 6.056 1.00 0.00 H new ATOM 0 HA ASN A 985 -8.097 3.244 8.771 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -7.640 0.847 8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -5.948 1.287 7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -7.711 0.620 11.571 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -8.664 0.757 10.090 1.00 0.00 H new ATOM 994 N ARG A 986 -6.161 5.005 7.518 1.00 0.00 N ATOM 995 CA ARG A 986 -5.159 6.056 7.510 1.00 0.00 C ATOM 996 C ARG A 986 -5.893 7.379 7.373 1.00 0.00 C ATOM 997 O ARG A 986 -7.131 7.397 7.329 1.00 0.00 O ATOM 998 CB ARG A 986 -4.204 5.896 6.317 1.00 0.00 C ATOM 999 CG ARG A 986 -3.234 4.736 6.413 1.00 0.00 C ATOM 1000 CD ARG A 986 -2.444 4.549 5.120 1.00 0.00 C ATOM 1001 NE ARG A 986 -1.696 5.744 4.695 1.00 0.00 N ATOM 1002 CZ ARG A 986 -0.405 5.972 4.968 1.00 0.00 C ATOM 1003 NH1 ARG A 986 0.238 5.241 5.879 1.00 0.00 N ATOM 1004 NH2 ARG A 986 0.231 6.953 4.334 1.00 0.00 N ATOM 0 H ARG A 986 -6.909 5.159 6.841 1.00 0.00 H new ATOM 0 HA ARG A 986 -4.572 6.010 8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -4.798 5.777 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -3.632 6.817 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -2.544 4.907 7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -3.782 3.822 6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -1.745 3.723 5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -3.132 4.262 4.325 1.00 0.00 H new ATOM 0 HE ARG A 986 -2.197 6.449 4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -0.254 4.499 6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 986 1.221 5.424 6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -0.265 7.522 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 986 1.214 7.136 4.534 1.00 0.00 H new ATOM 1018 N ALA A 987 -5.157 8.467 7.286 1.00 0.00 N ATOM 1019 CA ALA A 987 -5.760 9.755 7.006 1.00 0.00 C ATOM 1020 C ALA A 987 -5.847 9.885 5.498 1.00 0.00 C ATOM 1021 O ALA A 987 -4.992 10.489 4.852 1.00 0.00 O ATOM 1022 CB ALA A 987 -4.962 10.900 7.618 1.00 0.00 C ATOM 0 H ALA A 987 -4.144 8.487 7.404 1.00 0.00 H new ATOM 0 HA ALA A 987 -6.751 9.813 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.448 11.847 7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -4.915 10.773 8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -3.952 10.900 7.208 1.00 0.00 H new ATOM 1028 N VAL A 988 -6.834 9.208 4.944 1.00 0.00 N ATOM 1029 CA VAL A 988 -6.984 9.076 3.507 1.00 0.00 C ATOM 1030 C VAL A 988 -8.431 9.252 3.079 1.00 0.00 C ATOM 1031 O VAL A 988 -9.352 9.140 3.898 1.00 0.00 O ATOM 1032 CB VAL A 988 -6.508 7.679 3.030 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -5.014 7.499 3.241 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -7.266 6.565 3.743 1.00 0.00 C ATOM 0 H VAL A 988 -7.559 8.731 5.481 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.373 9.858 3.055 1.00 0.00 H new ATOM 0 HB VAL A 988 -6.717 7.619 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -4.714 6.509 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -4.473 8.259 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -4.782 7.599 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -6.910 5.598 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -7.099 6.641 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -8.332 6.659 3.534 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.596 9.626 1.819 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.899 9.651 1.148 1.00 0.00 C ATOM 1046 C ASP A 989 -10.586 8.287 1.234 1.00 0.00 C ATOM 1047 O ASP A 989 -9.966 7.279 1.571 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.688 10.016 -0.332 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.959 10.111 -1.157 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -11.637 11.163 -1.111 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -11.308 9.131 -1.857 1.00 0.00 O ATOM 0 H ASP A 989 -7.825 9.925 1.222 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.533 10.389 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -9.167 10.972 -0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -9.034 9.271 -0.785 1.00 0.00 H new ATOM 1056 N GLU A 990 -11.872 8.274 0.922 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.678 7.059 0.872 1.00 0.00 C ATOM 1058 C GLU A 990 -12.070 5.987 0.000 1.00 0.00 C ATOM 1059 O GLU A 990 -12.369 4.804 0.154 1.00 0.00 O ATOM 1060 CB GLU A 990 -14.075 7.374 0.383 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.899 8.030 1.447 1.00 0.00 C ATOM 1062 CD GLU A 990 -16.286 8.373 0.978 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -17.160 7.483 0.979 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -16.535 9.536 0.602 1.00 0.00 O ATOM 0 H GLU A 990 -12.396 9.119 0.692 1.00 0.00 H new ATOM 0 HA GLU A 990 -12.716 6.670 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -14.017 8.028 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.563 6.455 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -14.965 7.367 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -14.398 8.939 1.781 1.00 0.00 H new ATOM 1071 N LYS A 991 -11.267 6.392 -0.951 1.00 0.00 N ATOM 1072 CA LYS A 991 -10.634 5.432 -1.808 1.00 0.00 C ATOM 1073 C LYS A 991 -9.143 5.283 -1.492 1.00 0.00 C ATOM 1074 O LYS A 991 -8.381 4.700 -2.268 1.00 0.00 O ATOM 1075 CB LYS A 991 -10.896 5.839 -3.241 1.00 0.00 C ATOM 1076 CG LYS A 991 -12.377 5.858 -3.539 1.00 0.00 C ATOM 1077 CD LYS A 991 -12.686 6.426 -4.897 1.00 0.00 C ATOM 1078 CE LYS A 991 -14.184 6.482 -5.102 1.00 0.00 C ATOM 1079 NZ LYS A 991 -14.537 7.132 -6.382 1.00 0.00 N ATOM 0 H LYS A 991 -11.040 7.367 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 991 -11.057 4.442 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -10.472 6.826 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -10.395 5.146 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -12.770 4.843 -3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.890 6.446 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -12.260 7.425 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -12.227 5.811 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -14.592 5.471 -5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -14.644 7.027 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -15.571 7.152 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -14.169 8.105 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -14.119 6.597 -7.170 1.00 0.00 H new ATOM 1093 N GLY A 992 -8.734 5.824 -0.352 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.371 5.676 0.132 1.00 0.00 C ATOM 1095 C GLY A 992 -6.450 6.785 -0.321 1.00 0.00 C ATOM 1096 O GLY A 992 -5.319 6.882 0.138 1.00 0.00 O ATOM 0 H GLY A 992 -9.336 6.375 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.382 5.645 1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -6.973 4.721 -0.211 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.912 7.556 -1.282 1.00 0.00 N ATOM 1101 CA TRP A 993 -6.144 8.664 -1.829 1.00 0.00 C ATOM 1102 C TRP A 993 -5.768 9.715 -0.775 1.00 0.00 C ATOM 1103 O TRP A 993 -6.624 10.367 -0.178 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.908 9.317 -2.972 1.00 0.00 C ATOM 1105 CG TRP A 993 -7.265 8.376 -4.087 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.514 7.960 -4.429 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -6.370 7.735 -5.007 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -8.459 7.127 -5.515 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -7.157 6.977 -5.892 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -4.984 7.741 -5.180 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -6.607 6.238 -6.930 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -4.438 7.006 -6.211 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -5.251 6.267 -7.074 1.00 0.00 C ATOM 0 H TRP A 993 -7.830 7.436 -1.709 1.00 0.00 H new ATOM 0 HA TRP A 993 -5.209 8.245 -2.200 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.823 9.760 -2.577 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -6.308 10.132 -3.377 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -9.421 8.246 -3.917 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -9.262 6.690 -5.968 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -4.351 8.312 -4.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -7.229 5.662 -7.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -3.367 7.002 -6.353 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.794 5.705 -7.875 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.481 9.851 -0.534 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.931 10.831 0.374 1.00 0.00 C ATOM 1126 C GLU A 994 -3.261 12.004 -0.360 1.00 0.00 C ATOM 1127 O GLU A 994 -2.869 11.908 -1.550 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.973 10.146 1.363 1.00 0.00 C ATOM 1129 CG GLU A 994 -2.131 9.030 0.754 1.00 0.00 C ATOM 1130 CD GLU A 994 -1.270 8.320 1.776 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -1.796 7.892 2.821 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -0.050 8.195 1.576 1.00 0.00 O ATOM 0 H GLU A 994 -3.771 9.267 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.755 11.270 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -2.307 10.898 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -3.555 9.736 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.789 8.306 0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -1.493 9.447 -0.025 1.00 0.00 H new ATOM 1139 N TYR A 995 -3.155 13.087 0.412 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.709 14.429 0.028 1.00 0.00 C ATOM 1141 C TYR A 995 -1.205 14.590 0.016 1.00 0.00 C ATOM 1142 O TYR A 995 -0.602 14.707 1.057 1.00 0.00 O ATOM 1143 CB TYR A 995 -3.354 15.440 1.005 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.815 16.865 0.984 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -3.146 17.750 -0.027 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -1.998 17.331 2.012 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -2.684 19.049 -0.020 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -1.524 18.629 2.024 1.00 0.00 C ATOM 1149 CZ TYR A 995 -1.872 19.486 1.007 1.00 0.00 C ATOM 1150 OH TYR A 995 -1.432 20.796 1.014 1.00 0.00 O ATOM 0 H TYR A 995 -3.398 13.046 1.402 1.00 0.00 H new ATOM 0 HA TYR A 995 -3.026 14.610 -0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.423 15.479 0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -3.243 15.051 2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -3.778 17.417 -0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -1.729 16.663 2.817 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -2.957 19.724 -0.817 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -0.885 18.968 2.826 1.00 0.00 H new ATOM 0 HH TYR A 995 -0.871 20.948 1.803 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.618 14.582 -1.166 1.00 0.00 N ATOM 1161 CA GLY A 996 0.781 14.894 -1.290 1.00 0.00 C ATOM 1162 C GLY A 996 0.984 15.982 -2.317 1.00 0.00 C ATOM 1163 O GLY A 996 0.301 16.018 -3.339 1.00 0.00 O ATOM 0 H GLY A 996 -1.089 14.364 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.176 15.215 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.336 14.002 -1.580 1.00 0.00 H new ATOM 1167 N ILE A 997 1.844 16.929 -2.042 1.00 0.00 N ATOM 1168 CA ILE A 997 2.126 17.964 -3.014 1.00 0.00 C ATOM 1169 C ILE A 997 3.634 18.111 -3.078 1.00 0.00 C ATOM 1170 O ILE A 997 4.330 17.828 -2.099 1.00 0.00 O ATOM 1171 CB ILE A 997 1.475 19.329 -2.641 1.00 0.00 C ATOM 1172 CG1 ILE A 997 2.362 20.098 -1.655 1.00 0.00 C ATOM 1173 CG2 ILE A 997 0.069 19.126 -2.079 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.637 21.134 -0.824 1.00 0.00 C ATOM 0 H ILE A 997 2.358 17.009 -1.165 1.00 0.00 H new ATOM 0 HA ILE A 997 1.703 17.678 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 997 1.385 19.926 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 997 2.839 19.384 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 997 3.158 20.592 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -0.365 20.093 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -0.554 18.633 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 997 0.121 18.506 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 997 2.345 21.626 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 997 1.183 21.875 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 997 0.860 20.648 -0.234 1.00 0.00 H new ATOM 1186 N THR A 998 4.141 18.481 -4.211 1.00 0.00 N ATOM 1187 CA THR A 998 5.553 18.656 -4.365 1.00 0.00 C ATOM 1188 C THR A 998 5.843 20.035 -4.953 1.00 0.00 C ATOM 1189 O THR A 998 5.607 20.287 -6.135 1.00 0.00 O ATOM 1190 CB THR A 998 6.068 17.542 -5.274 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.628 16.276 -4.755 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.582 17.556 -5.379 1.00 0.00 C ATOM 0 H THR A 998 3.594 18.670 -5.051 1.00 0.00 H new ATOM 0 HA THR A 998 6.060 18.599 -3.402 1.00 0.00 H new ATOM 0 HB THR A 998 5.668 17.703 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.953 15.555 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.909 16.749 -6.034 1.00 0.00 H new ATOM 0 HG22 THR A 998 7.909 18.511 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 998 8.017 17.418 -4.389 1.00 0.00 H new ATOM 1200 N ILE A 999 6.291 20.942 -4.105 1.00 0.00 N ATOM 1201 CA ILE A 999 6.606 22.290 -4.536 1.00 0.00 C ATOM 1202 C ILE A 999 8.095 22.415 -4.843 1.00 0.00 C ATOM 1203 O ILE A 999 8.941 22.265 -3.957 1.00 0.00 O ATOM 1204 CB ILE A 999 6.161 23.357 -3.502 1.00 0.00 C ATOM 1205 CG1 ILE A 999 6.655 23.008 -2.084 1.00 0.00 C ATOM 1206 CG2 ILE A 999 4.646 23.505 -3.533 1.00 0.00 C ATOM 1207 CD1 ILE A 999 6.311 24.044 -1.036 1.00 0.00 C ATOM 0 H ILE A 999 6.445 20.769 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 999 6.041 22.481 -5.449 1.00 0.00 H new ATOM 0 HB ILE A 999 6.614 24.311 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 999 6.226 22.051 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 999 7.737 22.879 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 999 4.339 24.256 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 999 4.331 23.816 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.182 22.550 -3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 999 6.694 23.723 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 999 6.762 24.999 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 999 5.228 24.158 -0.979 1.00 0.00 H new ATOM 1219 N PRO A1000 8.440 22.649 -6.118 1.00 0.00 N ATOM 1220 CA PRO A1000 9.835 22.738 -6.552 1.00 0.00 C ATOM 1221 C PRO A1000 10.569 23.944 -5.958 1.00 0.00 C ATOM 1222 O PRO A1000 10.006 25.039 -5.874 1.00 0.00 O ATOM 1223 CB PRO A1000 9.733 22.863 -8.075 1.00 0.00 C ATOM 1224 CG PRO A1000 8.358 23.372 -8.340 1.00 0.00 C ATOM 1225 CD PRO A1000 7.496 22.844 -7.233 1.00 0.00 C ATOM 0 HA PRO A1000 10.412 21.875 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO A1000 10.487 23.547 -8.464 1.00 0.00 H new ATOM 0 HB3 PRO A1000 9.896 21.900 -8.560 1.00 0.00 H new ATOM 0 HG2 PRO A1000 8.343 24.462 -8.359 1.00 0.00 H new ATOM 0 HG3 PRO A1000 7.997 23.031 -9.311 1.00 0.00 H new ATOM 0 HD2 PRO A1000 6.706 23.548 -6.970 1.00 0.00 H new ATOM 0 HD3 PRO A1000 7.010 21.910 -7.515 1.00 0.00 H new ATOM 1233 N PRO A1001 11.828 23.746 -5.528 1.00 0.00 N ATOM 1234 CA PRO A1001 12.488 22.456 -5.575 1.00 0.00 C ATOM 1235 C PRO A1001 12.287 21.618 -4.328 1.00 0.00 C ATOM 1236 O PRO A1001 12.367 22.089 -3.190 1.00 0.00 O ATOM 1237 CB PRO A1001 13.962 22.788 -5.741 1.00 0.00 C ATOM 1238 CG PRO A1001 14.070 24.254 -5.553 1.00 0.00 C ATOM 1239 CD PRO A1001 12.748 24.760 -5.034 1.00 0.00 C ATOM 0 HA PRO A1001 12.074 21.854 -6.384 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.568 22.254 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A1001 14.321 22.493 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO A1001 14.870 24.489 -4.851 1.00 0.00 H new ATOM 0 HG3 PRO A1001 14.320 24.741 -6.496 1.00 0.00 H new ATOM 0 HD2 PRO A1001 12.735 24.829 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A1001 12.510 25.751 -5.419 1.00 0.00 H new ATOM 1247 N ASP A1002 12.071 20.369 -4.620 1.00 0.00 N ATOM 1248 CA ASP A1002 11.821 19.267 -3.678 1.00 0.00 C ATOM 1249 C ASP A1002 11.273 18.142 -4.539 1.00 0.00 C ATOM 1250 O ASP A1002 10.709 18.436 -5.594 1.00 0.00 O ATOM 1251 CB ASP A1002 10.799 19.637 -2.584 1.00 0.00 C ATOM 1252 CG ASP A1002 10.789 18.652 -1.433 1.00 0.00 C ATOM 1253 OD1 ASP A1002 11.849 18.063 -1.129 1.00 0.00 O ATOM 1254 OD2 ASP A1002 9.755 18.507 -0.756 1.00 0.00 O ATOM 0 H ASP A1002 12.060 20.049 -5.588 1.00 0.00 H new ATOM 0 HA ASP A1002 12.734 19.001 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP A1002 11.026 20.632 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A1002 9.803 19.684 -3.025 1.00 0.00 H new ATOM 1259 N HIS A1003 11.459 16.875 -4.194 1.00 0.00 N ATOM 1260 CA HIS A1003 11.013 15.806 -5.092 1.00 0.00 C ATOM 1261 C HIS A1003 9.850 15.034 -4.472 1.00 0.00 C ATOM 1262 O HIS A1003 8.964 14.552 -5.176 1.00 0.00 O ATOM 1263 CB HIS A1003 12.144 14.794 -5.375 1.00 0.00 C ATOM 1264 CG HIS A1003 13.536 15.357 -5.368 1.00 0.00 C ATOM 1265 ND1 HIS A1003 14.235 15.748 -6.489 1.00 0.00 N ATOM 1266 CD2 HIS A1003 14.364 15.566 -4.326 1.00 0.00 C ATOM 1267 CE1 HIS A1003 15.434 16.167 -6.129 1.00 0.00 C ATOM 1268 NE2 HIS A1003 15.533 16.067 -4.821 1.00 0.00 N ATOM 0 H HIS A1003 11.900 16.563 -3.329 1.00 0.00 H new ATOM 0 HA HIS A1003 10.707 16.286 -6.021 1.00 0.00 H new ATOM 0 HB2 HIS A1003 12.090 13.998 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A1003 11.962 14.335 -6.347 1.00 0.00 H new ATOM 0 HD2 HIS A1003 14.143 15.372 -3.287 1.00 0.00 H new ATOM 0 HE1 HIS A1003 16.203 16.530 -6.795 1.00 0.00 H new ATOM 0 HE2 HIS A1003 16.350 16.322 -4.267 1.00 0.00 H new ATOM 1277 N LYS A1004 9.889 14.864 -3.160 1.00 0.00 N ATOM 1278 CA LYS A1004 8.860 14.131 -2.451 1.00 0.00 C ATOM 1279 C LYS A1004 7.821 15.055 -1.858 1.00 0.00 C ATOM 1280 O LYS A1004 8.135 16.158 -1.416 1.00 0.00 O ATOM 1281 CB LYS A1004 9.403 13.331 -1.261 1.00 0.00 C ATOM 1282 CG LYS A1004 10.304 12.149 -1.555 1.00 0.00 C ATOM 1283 CD LYS A1004 11.647 12.556 -2.106 1.00 0.00 C ATOM 1284 CE LYS A1004 12.631 11.399 -2.096 1.00 0.00 C ATOM 1285 NZ LYS A1004 12.052 10.148 -2.652 1.00 0.00 N ATOM 0 H LYS A1004 10.631 15.229 -2.563 1.00 0.00 H new ATOM 0 HA LYS A1004 8.440 13.468 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A1004 9.952 14.019 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A1004 8.552 12.968 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A1004 10.451 11.575 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A1004 9.809 11.490 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A1004 11.526 12.923 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A1004 12.048 13.380 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS A1004 13.514 11.674 -2.673 1.00 0.00 H new ATOM 0 HE3 LYS A1004 12.962 11.218 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 12.816 9.474 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 11.399 9.730 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 11.535 10.364 -3.528 1.00 0.00 H new ATOM 1299 N PRO A1005 6.562 14.631 -1.888 1.00 0.00 N ATOM 1300 CA PRO A1005 5.539 15.221 -1.041 1.00 0.00 C ATOM 1301 C PRO A1005 5.936 14.964 0.392 1.00 0.00 C ATOM 1302 O PRO A1005 6.118 13.811 0.783 1.00 0.00 O ATOM 1303 CB PRO A1005 4.302 14.392 -1.367 1.00 0.00 C ATOM 1304 CG PRO A1005 4.554 13.918 -2.744 1.00 0.00 C ATOM 1305 CD PRO A1005 6.024 13.620 -2.793 1.00 0.00 C ATOM 0 HA PRO A1005 5.390 16.291 -1.187 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.182 13.561 -0.672 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.392 14.990 -1.309 1.00 0.00 H new ATOM 0 HG2 PRO A1005 3.964 13.029 -2.969 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.281 14.676 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.248 12.608 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.428 13.717 -3.801 1.00 0.00 H new ATOM 1313 N LYS A1006 6.066 16.006 1.176 1.00 0.00 N ATOM 1314 CA LYS A1006 6.532 15.874 2.557 1.00 0.00 C ATOM 1315 C LYS A1006 5.449 15.318 3.467 1.00 0.00 C ATOM 1316 O LYS A1006 5.711 14.924 4.602 1.00 0.00 O ATOM 1317 CB LYS A1006 6.867 17.255 3.124 1.00 0.00 C ATOM 1318 CG LYS A1006 7.497 18.217 2.143 1.00 0.00 C ATOM 1319 CD LYS A1006 7.801 19.546 2.818 1.00 0.00 C ATOM 1320 CE LYS A1006 8.359 20.585 1.856 1.00 0.00 C ATOM 1321 NZ LYS A1006 9.668 20.199 1.279 1.00 0.00 N ATOM 0 H LYS A1006 5.858 16.963 0.891 1.00 0.00 H new ATOM 0 HA LYS A1006 7.394 15.208 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A1006 5.952 17.703 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A1006 7.543 17.129 3.970 1.00 0.00 H new ATOM 0 HG2 LYS A1006 8.415 17.788 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A1006 6.826 18.376 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A1006 6.890 19.933 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A1006 8.517 19.383 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A1006 7.645 20.744 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A1006 8.465 21.536 2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 10.076 21.009 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 10.312 19.910 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 9.536 19.406 0.619 1.00 0.00 H new ATOM 1335 N SER A1007 4.241 15.291 2.968 1.00 0.00 N ATOM 1336 CA SER A1007 3.102 15.090 3.810 1.00 0.00 C ATOM 1337 C SER A1007 2.000 14.389 3.040 1.00 0.00 C ATOM 1338 O SER A1007 1.966 14.475 1.811 1.00 0.00 O ATOM 1339 CB SER A1007 2.671 16.479 4.292 1.00 0.00 C ATOM 1340 OG SER A1007 1.493 16.455 5.080 1.00 0.00 O ATOM 0 H SER A1007 4.025 15.407 1.978 1.00 0.00 H new ATOM 0 HA SER A1007 3.333 14.452 4.663 1.00 0.00 H new ATOM 0 HB2 SER A1007 3.480 16.922 4.873 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.509 17.123 3.427 1.00 0.00 H new ATOM 0 HG SER A1007 1.268 17.367 5.360 1.00 0.00 H new ATOM 1346 N TRP A1008 1.184 13.644 3.786 1.00 0.00 N ATOM 1347 CA TRP A1008 -0.011 12.955 3.305 1.00 0.00 C ATOM 1348 C TRP A1008 -1.093 13.142 4.356 1.00 0.00 C ATOM 1349 O TRP A1008 -0.846 12.929 5.548 1.00 0.00 O ATOM 1350 CB TRP A1008 0.254 11.470 3.054 1.00 0.00 C ATOM 1351 CG TRP A1008 1.420 11.282 2.171 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.700 11.135 2.569 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.426 11.284 0.741 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.507 11.057 1.487 1.00 0.00 N ATOM 1355 CE2 TRP A1008 2.757 11.131 0.344 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.438 11.397 -0.241 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.138 11.088 -0.991 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 0.812 11.355 -1.570 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.154 11.201 -1.934 1.00 0.00 C ATOM 0 H TRP A1008 1.345 13.499 4.783 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.323 13.375 2.349 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.427 10.963 4.003 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.626 11.011 2.603 1.00 0.00 H new ATOM 0 HD1 TRP A1008 3.030 11.087 3.596 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.522 10.958 1.518 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.600 11.515 0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.174 10.970 -1.274 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.058 11.442 -2.339 1.00 0.00 H new ATOM 0 HH2 TRP A1008 2.418 11.171 -2.981 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.278 13.531 3.917 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.375 13.936 4.803 1.00 0.00 C ATOM 1372 C VAL A1009 -4.675 13.580 4.070 1.00 0.00 C ATOM 1373 O VAL A1009 -4.624 13.219 2.899 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.353 15.485 5.101 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -4.357 15.886 6.176 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -1.971 15.983 5.503 1.00 0.00 C ATOM 0 H VAL A1009 -2.516 13.578 2.926 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.283 13.427 5.762 1.00 0.00 H new ATOM 0 HB VAL A1009 -3.636 15.957 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -4.301 16.962 6.343 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -5.363 15.621 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -4.125 15.362 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.013 17.055 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -1.645 15.464 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -1.265 15.787 4.696 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.818 13.666 4.723 1.00 0.00 N ATOM 1387 CA ALA A1010 -7.083 13.421 4.055 1.00 0.00 C ATOM 1388 C ALA A1010 -7.643 14.754 3.588 1.00 0.00 C ATOM 1389 O ALA A1010 -8.267 15.479 4.368 1.00 0.00 O ATOM 1390 CB ALA A1010 -8.067 12.716 4.980 1.00 0.00 C ATOM 0 H ALA A1010 -5.898 13.903 5.712 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.922 12.765 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -9.005 12.546 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.649 11.760 5.295 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.252 13.337 5.856 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.376 15.093 2.336 1.00 0.00 N ATOM 1397 CA ALA A1011 -7.758 16.381 1.780 1.00 0.00 C ATOM 1398 C ALA A1011 -7.559 16.374 0.279 1.00 0.00 C ATOM 1399 O ALA A1011 -6.940 15.452 -0.266 1.00 0.00 O ATOM 1400 CB ALA A1011 -6.924 17.500 2.400 1.00 0.00 C ATOM 0 H ALA A1011 -6.889 14.484 1.678 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.809 16.557 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -7.223 18.457 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -7.084 17.519 3.478 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -5.868 17.324 2.193 1.00 0.00 H new ATOM 1406 N GLU A1012 -8.013 17.433 -0.374 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.828 17.578 -1.798 1.00 0.00 C ATOM 1408 C GLU A1012 -7.757 19.044 -2.143 1.00 0.00 C ATOM 1409 O GLU A1012 -8.753 19.755 -2.221 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.856 16.811 -2.633 1.00 0.00 C ATOM 1411 CG GLU A1012 -8.242 16.268 -3.923 1.00 0.00 C ATOM 1412 CD GLU A1012 -7.905 17.322 -4.944 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -6.854 17.981 -4.815 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -8.678 17.488 -5.904 1.00 0.00 O ATOM 0 H GLU A1012 -8.514 18.204 0.068 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.880 17.111 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -9.259 15.986 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.691 17.468 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -7.335 15.717 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -8.936 15.556 -4.369 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.521 19.482 -2.264 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.181 20.862 -2.523 1.00 0.00 C ATOM 1423 C LYS A1013 -5.503 20.985 -3.862 1.00 0.00 C ATOM 1424 O LYS A1013 -4.745 20.101 -4.234 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.228 21.313 -1.436 1.00 0.00 C ATOM 1426 CG LYS A1013 -5.864 21.258 -0.076 1.00 0.00 C ATOM 1427 CD LYS A1013 -4.855 21.393 1.041 1.00 0.00 C ATOM 1428 CE LYS A1013 -4.188 22.756 1.053 1.00 0.00 C ATOM 1429 NZ LYS A1013 -3.131 22.840 2.087 1.00 0.00 N ATOM 0 H LYS A1013 -5.707 18.872 -2.183 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.081 21.476 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -4.339 20.682 -1.447 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -4.898 22.331 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -6.603 22.055 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -6.398 20.314 0.034 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -5.350 21.225 1.997 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -4.094 20.620 0.936 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -3.755 22.958 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -4.937 23.526 1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -2.745 23.805 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -3.535 22.605 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -2.370 22.168 1.861 1.00 0.00 H new ATOM 1443 N MET A1014 -5.775 22.075 -4.549 1.00 0.00 N ATOM 1444 CA MET A1014 -5.211 22.401 -5.861 1.00 0.00 C ATOM 1445 C MET A1014 -3.716 22.191 -5.954 1.00 0.00 C ATOM 1446 O MET A1014 -3.220 21.752 -6.992 1.00 0.00 O ATOM 1447 CB MET A1014 -5.529 23.840 -6.171 1.00 0.00 C ATOM 1448 CG MET A1014 -5.124 24.299 -7.567 1.00 0.00 C ATOM 1449 SD MET A1014 -5.554 26.023 -7.885 1.00 0.00 S ATOM 1450 CE MET A1014 -4.579 26.852 -6.630 1.00 0.00 C ATOM 0 H MET A1014 -6.417 22.789 -4.205 1.00 0.00 H new ATOM 0 HA MET A1014 -5.661 21.719 -6.582 1.00 0.00 H new ATOM 0 HB2 MET A1014 -6.601 23.994 -6.050 1.00 0.00 H new ATOM 0 HB3 MET A1014 -5.031 24.474 -5.437 1.00 0.00 H new ATOM 0 HG2 MET A1014 -4.049 24.168 -7.690 1.00 0.00 H new ATOM 0 HG3 MET A1014 -5.610 23.665 -8.309 1.00 0.00 H new ATOM 0 HE1 MET A1014 -4.493 27.910 -6.876 1.00 0.00 H new ATOM 0 HE2 MET A1014 -5.066 26.744 -5.661 1.00 0.00 H new ATOM 0 HE3 MET A1014 -3.585 26.407 -6.589 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.004 22.455 -4.862 1.00 0.00 N ATOM 1461 CA TYR A1015 -1.546 22.305 -4.837 1.00 0.00 C ATOM 1462 C TYR A1015 -1.136 20.854 -5.085 1.00 0.00 C ATOM 1463 O TYR A1015 0.044 20.557 -5.292 1.00 0.00 O ATOM 1464 CB TYR A1015 -0.992 22.775 -3.494 1.00 0.00 C ATOM 1465 CG TYR A1015 -1.452 24.160 -3.100 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -0.989 25.291 -3.761 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -2.371 24.331 -2.072 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -1.425 26.553 -3.406 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -2.813 25.586 -1.713 1.00 0.00 C ATOM 1470 CZ TYR A1015 -2.337 26.694 -2.380 1.00 0.00 C ATOM 1471 OH TYR A1015 -2.790 27.946 -2.025 1.00 0.00 O ATOM 0 H TYR A1015 -3.409 22.774 -3.982 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.131 22.920 -5.636 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -1.291 22.068 -2.720 1.00 0.00 H new ATOM 0 HB3 TYR A1015 0.097 22.761 -3.535 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -0.277 25.182 -4.565 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -2.745 23.466 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -1.055 27.423 -3.928 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -3.529 25.701 -0.913 1.00 0.00 H new ATOM 0 HH TYR A1015 -3.428 27.865 -1.286 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.129 19.963 -5.005 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.946 18.529 -5.269 1.00 0.00 C ATOM 1483 C HIS A1016 -1.210 18.282 -6.562 1.00 0.00 C ATOM 1484 O HIS A1016 -1.739 18.486 -7.649 1.00 0.00 O ATOM 1485 CB HIS A1016 -3.272 17.787 -5.341 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.612 16.979 -4.151 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -4.753 17.174 -3.431 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -2.980 15.936 -3.583 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -4.798 16.305 -2.445 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -3.742 15.526 -2.526 1.00 0.00 N ATOM 0 H HIS A1016 -3.085 20.215 -4.755 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.359 18.154 -4.431 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -4.067 18.514 -5.505 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -3.255 17.131 -6.212 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -5.460 17.882 -3.626 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -2.044 15.503 -3.903 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -5.572 16.242 -1.695 1.00 0.00 H new ATOM 1499 N THR A1017 0.021 17.893 -6.418 1.00 0.00 N ATOM 1500 CA THR A1017 0.840 17.516 -7.536 1.00 0.00 C ATOM 1501 C THR A1017 1.013 16.001 -7.541 1.00 0.00 C ATOM 1502 O THR A1017 1.315 15.388 -8.552 1.00 0.00 O ATOM 1503 CB THR A1017 2.192 18.226 -7.400 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.238 18.859 -6.107 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.380 19.276 -8.481 1.00 0.00 C ATOM 0 H THR A1017 0.491 17.827 -5.515 1.00 0.00 H new ATOM 0 HA THR A1017 0.376 17.808 -8.478 1.00 0.00 H new ATOM 0 HB THR A1017 2.990 17.492 -7.507 1.00 0.00 H new ATOM 0 HG1 THR A1017 2.692 19.724 -6.182 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.349 19.759 -8.354 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.337 18.801 -9.461 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.589 20.022 -8.405 1.00 0.00 H new ATOM 1513 N HIS A1018 0.748 15.404 -6.393 1.00 0.00 N ATOM 1514 CA HIS A1018 0.942 13.960 -6.186 1.00 0.00 C ATOM 1515 C HIS A1018 -0.177 13.344 -5.374 1.00 0.00 C ATOM 1516 O HIS A1018 -0.802 13.993 -4.540 1.00 0.00 O ATOM 1517 CB HIS A1018 2.276 13.643 -5.499 1.00 0.00 C ATOM 1518 CG HIS A1018 3.439 13.459 -6.426 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.310 12.401 -6.329 1.00 0.00 N ATOM 1520 CD2 HIS A1018 3.890 14.214 -7.443 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.246 12.517 -7.245 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.018 13.610 -7.939 1.00 0.00 N ATOM 0 H HIS A1018 0.393 15.895 -5.573 1.00 0.00 H new ATOM 0 HA HIS A1018 0.944 13.525 -7.185 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.509 14.449 -4.803 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.156 12.736 -4.907 1.00 0.00 H new ATOM 0 HD2 HIS A1018 3.445 15.130 -7.804 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.065 11.830 -7.401 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.584 13.952 -8.716 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.485 12.112 -5.667 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.514 11.409 -4.937 1.00 0.00 C ATOM 1533 C ARG A1019 -1.166 9.942 -4.866 1.00 0.00 C ATOM 1534 O ARG A1019 -0.557 9.409 -5.795 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.849 11.576 -5.646 1.00 0.00 C ATOM 1536 CG ARG A1019 -4.013 10.945 -4.922 1.00 0.00 C ATOM 1537 CD ARG A1019 -5.279 11.107 -5.718 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.300 10.316 -6.957 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.382 10.162 -7.730 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.485 10.867 -7.495 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -6.355 9.326 -8.756 1.00 0.00 N ATOM 0 H ARG A1019 -0.040 11.569 -6.407 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.585 11.818 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -3.049 12.640 -5.776 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.776 11.141 -6.643 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -3.814 9.886 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -4.132 11.406 -3.941 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -6.128 10.818 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -5.410 12.160 -5.967 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.437 9.856 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.511 11.531 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.305 10.744 -8.089 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -5.508 8.796 -8.960 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -7.182 9.212 -9.343 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.548 9.293 -3.784 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.310 7.857 -3.667 1.00 0.00 C ATOM 1557 C ARG A1020 -2.293 7.254 -2.721 1.00 0.00 C ATOM 1558 O ARG A1020 -3.026 7.958 -2.081 1.00 0.00 O ATOM 1559 CB ARG A1020 0.103 7.497 -3.188 1.00 0.00 C ATOM 1560 CG ARG A1020 0.399 7.979 -1.776 1.00 0.00 C ATOM 1561 CD ARG A1020 1.644 7.344 -1.182 1.00 0.00 C ATOM 1562 NE ARG A1020 2.844 7.591 -1.975 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.066 7.783 -1.464 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.260 7.782 -0.148 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.094 7.994 -2.279 1.00 0.00 N ATOM 0 H ARG A1020 -2.016 9.721 -2.985 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.425 7.456 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.229 6.415 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.833 7.929 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.519 9.062 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A1020 -0.455 7.759 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A1020 1.796 7.729 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A1020 1.489 6.269 -1.092 1.00 0.00 H new ATOM 0 HE ARG A1020 2.744 7.619 -2.990 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.473 7.634 0.483 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.196 7.929 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A1020 4.950 8.009 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.027 8.141 -1.895 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.352 5.953 -2.714 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.234 5.239 -1.809 1.00 0.00 C ATOM 1581 C ARG A1021 -2.633 3.895 -1.464 1.00 0.00 C ATOM 1582 O ARG A1021 -1.840 3.380 -2.238 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.585 5.034 -2.469 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.471 4.353 -3.811 1.00 0.00 C ATOM 1585 CD ARG A1021 -5.808 3.985 -4.372 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.615 3.356 -5.664 1.00 0.00 N ATOM 1587 CZ ARG A1021 -6.533 2.581 -6.264 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -7.755 2.478 -5.738 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -6.242 1.935 -7.389 1.00 0.00 N ATOM 0 H ARG A1021 -1.799 5.353 -3.326 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.360 5.823 -0.897 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.220 4.437 -1.814 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -5.075 5.999 -2.595 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.955 5.012 -4.509 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -3.861 3.455 -3.711 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.327 3.306 -3.696 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.432 4.873 -4.474 1.00 0.00 H new ATOM 0 HE ARG A1021 -4.729 3.511 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -7.988 2.986 -4.885 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.457 1.891 -6.189 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -5.315 2.026 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -6.946 1.349 -7.837 1.00 0.00 H new ATOM 1603 N ARG A1022 -3.011 3.323 -0.336 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.537 2.021 0.050 1.00 0.00 C ATOM 1605 C ARG A1022 -3.444 0.934 -0.507 1.00 0.00 C ATOM 1606 O ARG A1022 -4.666 0.997 -0.348 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.531 1.903 1.564 1.00 0.00 C ATOM 1608 CG ARG A1022 -2.343 0.479 2.042 1.00 0.00 C ATOM 1609 CD ARG A1022 -2.549 0.373 3.525 1.00 0.00 C ATOM 1610 NE ARG A1022 -1.505 1.034 4.250 1.00 0.00 N ATOM 1611 CZ ARG A1022 -1.533 1.215 5.575 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -2.697 1.234 6.230 1.00 0.00 N ATOM 1613 NH2 ARG A1022 -0.414 1.480 6.218 1.00 0.00 N ATOM 0 H ARG A1022 -3.653 3.751 0.331 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.529 1.897 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.733 2.525 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.470 2.292 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -3.045 -0.176 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -1.341 0.136 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -3.511 0.810 3.792 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -2.585 -0.677 3.814 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.700 1.384 3.730 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -3.571 1.110 5.720 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -2.711 1.372 7.240 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.465 1.546 5.705 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -0.427 1.619 7.228 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.846 -0.024 -1.174 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.527 -1.231 -1.540 1.00 0.00 C ATOM 1629 C LEU A1023 -3.089 -2.298 -0.561 1.00 0.00 C ATOM 1630 O LEU A1023 -1.901 -2.477 -0.339 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.244 -1.646 -2.984 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.616 -0.613 -4.055 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.221 -1.123 -5.429 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.109 -0.312 -4.028 1.00 0.00 C ATOM 0 H LEU A1023 -1.873 0.017 -1.476 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.605 -1.078 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.182 -1.873 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -3.786 -2.569 -3.191 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.074 0.308 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.489 -0.383 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.145 -1.296 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -3.745 -2.057 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.346 0.423 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -5.668 -1.228 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.383 0.085 -3.050 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.035 -2.974 0.042 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.743 -3.934 1.084 1.00 0.00 C ATOM 1648 C VAL A1024 -3.934 -5.350 0.613 1.00 0.00 C ATOM 1649 O VAL A1024 -4.863 -5.661 -0.139 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.595 -3.737 2.362 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -4.103 -2.558 3.163 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.068 -3.553 2.022 1.00 0.00 C ATOM 0 H VAL A1024 -5.027 -2.877 -0.173 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.697 -3.755 1.332 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.489 -4.639 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.719 -2.442 4.055 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -3.067 -2.725 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.168 -1.654 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.639 -3.417 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.188 -2.675 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.433 -4.435 1.495 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.023 -6.182 1.022 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.174 -7.610 0.807 1.00 0.00 C ATOM 1664 C ARG A1025 -2.798 -8.348 2.083 1.00 0.00 C ATOM 1665 O ARG A1025 -1.630 -8.459 2.410 1.00 0.00 O ATOM 1666 CB ARG A1025 -2.303 -8.098 -0.342 1.00 0.00 C ATOM 1667 CG ARG A1025 -2.717 -9.446 -0.910 1.00 0.00 C ATOM 1668 CD ARG A1025 -3.943 -9.341 -1.804 1.00 0.00 C ATOM 1669 NE ARG A1025 -4.318 -10.639 -2.395 1.00 0.00 N ATOM 1670 CZ ARG A1025 -3.883 -11.092 -3.580 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -2.987 -10.397 -4.257 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -4.340 -12.237 -4.080 1.00 0.00 N ATOM 0 H ARG A1025 -2.167 -5.909 1.505 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.213 -7.810 0.546 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -2.327 -7.357 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -1.271 -8.163 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -1.889 -9.868 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -2.924 -10.135 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -4.780 -8.953 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -3.748 -8.624 -2.602 1.00 0.00 H new ATOM 0 HE ARG A1025 -4.954 -11.235 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -2.629 -9.520 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -2.653 -10.737 -5.159 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -5.029 -12.781 -3.561 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -4.001 -12.571 -4.982 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.781 -8.833 2.809 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.526 -9.538 4.059 1.00 0.00 C ATOM 1688 C LYS A1026 -2.932 -10.900 3.685 1.00 0.00 C ATOM 1689 O LYS A1026 -3.433 -11.563 2.763 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.864 -9.651 4.811 1.00 0.00 C ATOM 1691 CG LYS A1026 -4.826 -9.968 6.296 1.00 0.00 C ATOM 1692 CD LYS A1026 -4.240 -11.314 6.605 1.00 0.00 C ATOM 1693 CE LYS A1026 -4.553 -11.723 8.032 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.005 -11.880 8.285 1.00 0.00 N ATOM 0 H LYS A1026 -4.767 -8.755 2.560 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.823 -9.025 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -5.398 -8.709 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.458 -10.422 4.321 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -4.245 -9.201 6.809 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -5.839 -9.921 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -4.638 -12.056 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.160 -11.288 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -4.048 -12.663 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -4.150 -10.975 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -6.153 -12.599 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -6.402 -10.973 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.480 -12.178 7.409 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.897 -11.345 4.384 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.204 -12.546 3.965 1.00 0.00 C ATOM 1710 C ARG A1027 -0.896 -13.378 5.171 1.00 0.00 C ATOM 1711 O ARG A1027 -0.655 -12.856 6.231 1.00 0.00 O ATOM 1712 CB ARG A1027 0.064 -12.232 3.138 1.00 0.00 C ATOM 1713 CG ARG A1027 1.093 -11.337 3.810 1.00 0.00 C ATOM 1714 CD ARG A1027 2.145 -10.823 2.826 1.00 0.00 C ATOM 1715 NE ARG A1027 3.049 -11.849 2.309 1.00 0.00 N ATOM 1716 CZ ARG A1027 4.264 -11.560 1.815 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.581 -10.314 1.476 1.00 0.00 N ATOM 1718 NH2 ARG A1027 5.152 -12.522 1.637 1.00 0.00 N ATOM 0 H ARG A1027 -1.528 -10.901 5.225 1.00 0.00 H new ATOM 0 HA ARG A1027 -1.855 -13.113 3.299 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.546 -13.174 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.243 -11.762 2.204 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.587 -10.490 4.273 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.586 -11.890 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.637 -10.349 1.986 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.737 -10.051 3.318 1.00 0.00 H new ATOM 0 HE ARG A1027 2.745 -12.823 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.898 -9.565 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.507 -10.107 1.102 1.00 0.00 H new ATOM 0 HH21 ARG A1027 4.915 -13.485 1.875 1.00 0.00 H new ATOM 0 HH22 ARG A1027 6.074 -12.301 1.262 1.00 0.00 H new ATOM 1732 N LYS A1028 -0.963 -14.660 4.996 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.784 -15.618 6.056 1.00 0.00 C ATOM 1734 C LYS A1028 0.494 -16.325 5.910 1.00 0.00 C ATOM 1735 O LYS A1028 1.008 -16.432 4.843 1.00 0.00 O ATOM 1736 CB LYS A1028 -1.869 -16.678 5.995 1.00 0.00 C ATOM 1737 CG LYS A1028 -3.161 -16.120 6.425 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.115 -15.905 7.925 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.333 -15.217 8.496 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.601 -15.942 8.238 1.00 0.00 N ATOM 0 H LYS A1028 -1.149 -15.087 4.089 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.818 -15.066 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -1.953 -17.063 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -1.599 -17.520 6.633 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -3.356 -15.178 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -3.973 -16.799 6.164 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -2.996 -16.872 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -2.232 -15.314 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -4.203 -15.101 9.572 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.405 -14.215 8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.087 -15.513 7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -5.394 -16.940 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -6.212 -15.882 9.077 1.00 0.00 H new ATOM 1754 N LYS A1029 1.044 -16.726 6.988 1.00 0.00 N ATOM 1755 CA LYS A1029 2.050 -17.748 6.914 1.00 0.00 C ATOM 1756 C LYS A1029 1.310 -19.016 7.273 1.00 0.00 C ATOM 1757 O LYS A1029 1.748 -20.140 7.060 1.00 0.00 O ATOM 1758 CB LYS A1029 3.182 -17.531 7.910 1.00 0.00 C ATOM 1759 CG LYS A1029 4.375 -18.421 7.641 1.00 0.00 C ATOM 1760 CD LYS A1029 5.472 -18.243 8.667 1.00 0.00 C ATOM 1761 CE LYS A1029 5.831 -16.785 8.828 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.927 -16.603 9.810 1.00 0.00 N ATOM 0 H LYS A1029 0.831 -16.380 7.924 1.00 0.00 H new ATOM 0 HA LYS A1029 2.517 -17.764 5.929 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.497 -16.488 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.814 -17.719 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A1029 4.053 -19.462 7.634 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.771 -18.203 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A1029 5.148 -18.649 9.625 1.00 0.00 H new ATOM 0 HD3 LYS A1029 6.354 -18.807 8.363 1.00 0.00 H new ATOM 0 HE2 LYS A1029 6.132 -16.374 7.864 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.953 -16.226 9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 7.150 -15.591 9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.629 -16.973 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.772 -17.117 9.487 1.00 0.00 H new ATOM 1776 N ASP A1030 0.151 -18.746 7.858 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.794 -19.697 8.446 1.00 0.00 C ATOM 1778 C ASP A1030 -0.090 -20.670 9.390 1.00 0.00 C ATOM 1779 O ASP A1030 -0.663 -21.661 9.818 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.563 -20.417 7.337 1.00 0.00 C ATOM 1781 CG ASP A1030 -2.914 -20.898 7.810 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -3.635 -20.102 8.446 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -3.291 -22.048 7.534 1.00 0.00 O ATOM 0 H ASP A1030 -0.182 -17.786 7.942 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.515 -19.150 9.054 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -1.693 -19.744 6.490 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -0.979 -21.266 6.982 1.00 0.00 H new ATOM 1788 N LEU A1031 1.136 -20.283 9.767 1.00 0.00 N ATOM 1789 CA LEU A1031 2.124 -21.047 10.525 1.00 0.00 C ATOM 1790 C LEU A1031 2.473 -22.411 9.875 1.00 0.00 C ATOM 1791 O LEU A1031 3.638 -22.823 9.853 1.00 0.00 O ATOM 1792 CB LEU A1031 1.690 -21.177 11.986 1.00 0.00 C ATOM 1793 CG LEU A1031 2.739 -21.762 12.924 1.00 0.00 C ATOM 1794 CD1 LEU A1031 3.925 -20.816 13.063 1.00 0.00 C ATOM 1795 CD2 LEU A1031 2.136 -22.080 14.283 1.00 0.00 C ATOM 0 H LEU A1031 1.485 -19.355 9.529 1.00 0.00 H new ATOM 0 HA LEU A1031 3.058 -20.486 10.503 1.00 0.00 H new ATOM 0 HB2 LEU A1031 1.407 -20.191 12.353 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.798 -21.802 12.029 1.00 0.00 H new ATOM 0 HG LEU A1031 3.098 -22.695 12.491 1.00 0.00 H new ATOM 0 HD11 LEU A1031 4.662 -21.253 13.737 1.00 0.00 H new ATOM 0 HD12 LEU A1031 4.378 -20.655 12.085 1.00 0.00 H new ATOM 0 HD13 LEU A1031 3.585 -19.863 13.467 1.00 0.00 H new ATOM 0 HD21 LEU A1031 2.905 -22.496 14.934 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.739 -21.167 14.728 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.331 -22.805 14.163 1.00 0.00 H new ATOM 1807 N THR A1032 1.485 -23.069 9.304 1.00 0.00 N ATOM 1808 CA THR A1032 1.622 -24.365 8.673 1.00 0.00 C ATOM 1809 C THR A1032 2.326 -24.293 7.300 1.00 0.00 C ATOM 1810 O THR A1032 2.749 -25.329 6.789 1.00 0.00 O ATOM 1811 CB THR A1032 0.227 -25.044 8.555 1.00 0.00 C ATOM 1812 OG1 THR A1032 0.319 -26.371 8.006 1.00 0.00 O ATOM 1813 CG2 THR A1032 -0.714 -24.210 7.701 1.00 0.00 C ATOM 0 H THR A1032 0.533 -22.704 9.265 1.00 0.00 H new ATOM 0 HA THR A1032 2.266 -24.973 9.309 1.00 0.00 H new ATOM 0 HB THR A1032 -0.171 -25.117 9.567 1.00 0.00 H new ATOM 0 HG1 THR A1032 1.139 -26.449 7.475 1.00 0.00 H new ATOM 0 HG21 THR A1032 -1.682 -24.707 7.635 1.00 0.00 H new ATOM 0 HG22 THR A1032 -0.841 -23.227 8.154 1.00 0.00 H new ATOM 0 HG23 THR A1032 -0.295 -24.097 6.701 1.00 0.00 H new ATOM 1821 N GLN A1033 2.472 -23.096 6.704 1.00 0.00 N ATOM 1822 CA GLN A1033 3.195 -22.990 5.414 1.00 0.00 C ATOM 1823 C GLN A1033 4.615 -23.496 5.575 1.00 0.00 C ATOM 1824 O GLN A1033 5.137 -24.237 4.736 1.00 0.00 O ATOM 1825 CB GLN A1033 3.289 -21.559 4.877 1.00 0.00 C ATOM 1826 CG GLN A1033 2.073 -21.001 4.149 1.00 0.00 C ATOM 1827 CD GLN A1033 1.808 -21.629 2.792 1.00 0.00 C ATOM 1828 OE1 GLN A1033 2.110 -22.797 2.545 1.00 0.00 O ATOM 1829 NE2 GLN A1033 1.269 -20.823 1.887 1.00 0.00 N ATOM 0 H GLN A1033 2.115 -22.215 7.074 1.00 0.00 H new ATOM 0 HA GLN A1033 2.619 -23.588 4.708 1.00 0.00 H new ATOM 0 HB2 GLN A1033 3.512 -20.899 5.715 1.00 0.00 H new ATOM 0 HB3 GLN A1033 4.140 -21.510 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A1033 1.194 -21.140 4.778 1.00 0.00 H new ATOM 0 HG3 GLN A1033 2.205 -19.927 4.019 1.00 0.00 H new ATOM 0 HE21 GLN A1033 1.034 -19.862 2.135 1.00 0.00 H new ATOM 0 HE22 GLN A1033 1.089 -21.164 0.943 1.00 0.00 H new ATOM 1838 N THR A1034 5.230 -23.092 6.667 1.00 0.00 N ATOM 1839 CA THR A1034 6.579 -23.487 6.967 1.00 0.00 C ATOM 1840 C THR A1034 6.583 -24.841 7.661 1.00 0.00 C ATOM 1841 O THR A1034 6.158 -24.971 8.815 1.00 0.00 O ATOM 1842 CB THR A1034 7.271 -22.418 7.833 1.00 0.00 C ATOM 1843 OG1 THR A1034 6.448 -22.101 8.971 1.00 0.00 O ATOM 1844 CG2 THR A1034 7.531 -21.153 7.025 1.00 0.00 C ATOM 0 H THR A1034 4.805 -22.483 7.366 1.00 0.00 H new ATOM 0 HA THR A1034 7.138 -23.578 6.036 1.00 0.00 H new ATOM 0 HB THR A1034 8.226 -22.818 8.173 1.00 0.00 H new ATOM 0 HG1 THR A1034 6.042 -22.922 9.320 1.00 0.00 H new ATOM 0 HG21 THR A1034 8.020 -20.412 7.657 1.00 0.00 H new ATOM 0 HG22 THR A1034 8.174 -21.389 6.177 1.00 0.00 H new ATOM 0 HG23 THR A1034 6.585 -20.752 6.662 1.00 0.00 H new ATOM 1852 N ALA A1035 6.984 -25.850 6.923 1.00 0.00 N ATOM 1853 CA ALA A1035 7.091 -27.192 7.433 1.00 0.00 C ATOM 1854 C ALA A1035 8.378 -27.794 6.920 1.00 0.00 C ATOM 1855 O ALA A1035 8.471 -28.178 5.752 1.00 0.00 O ATOM 1856 CB ALA A1035 5.893 -28.037 7.017 1.00 0.00 C ATOM 0 H ALA A1035 7.247 -25.758 5.942 1.00 0.00 H new ATOM 0 HA ALA A1035 7.101 -27.169 8.523 1.00 0.00 H new ATOM 0 HB1 ALA A1035 6.002 -29.045 7.417 1.00 0.00 H new ATOM 0 HB2 ALA A1035 4.979 -27.589 7.407 1.00 0.00 H new ATOM 0 HB3 ALA A1035 5.840 -28.082 5.929 1.00 0.00 H new ATOM 1862 N SER A1036 9.382 -27.794 7.765 1.00 0.00 N ATOM 1863 CA SER A1036 10.671 -28.328 7.411 1.00 0.00 C ATOM 1864 C SER A1036 10.581 -29.847 7.343 1.00 0.00 C ATOM 1865 O SER A1036 10.502 -30.534 8.366 1.00 0.00 O ATOM 1866 CB SER A1036 11.705 -27.858 8.434 1.00 0.00 C ATOM 1867 OG SER A1036 11.660 -26.439 8.553 1.00 0.00 O ATOM 0 H SER A1036 9.326 -27.424 8.714 1.00 0.00 H new ATOM 0 HA SER A1036 10.984 -27.969 6.431 1.00 0.00 H new ATOM 0 HB2 SER A1036 11.507 -28.319 9.402 1.00 0.00 H new ATOM 0 HB3 SER A1036 12.702 -28.174 8.128 1.00 0.00 H new ATOM 0 HG SER A1036 12.324 -26.145 9.211 1.00 0.00 H new ATOM 1873 N SER A1037 10.509 -30.346 6.130 1.00 0.00 N ATOM 1874 CA SER A1037 10.372 -31.760 5.882 1.00 0.00 C ATOM 1875 C SER A1037 11.667 -32.502 6.189 1.00 0.00 C ATOM 1876 O SER A1037 12.741 -31.903 6.269 1.00 0.00 O ATOM 1877 CB SER A1037 9.950 -31.970 4.430 1.00 0.00 C ATOM 1878 OG SER A1037 8.711 -31.320 4.169 1.00 0.00 O ATOM 0 H SER A1037 10.544 -29.777 5.284 1.00 0.00 H new ATOM 0 HA SER A1037 9.607 -32.167 6.543 1.00 0.00 H new ATOM 0 HB2 SER A1037 10.719 -31.581 3.762 1.00 0.00 H new ATOM 0 HB3 SER A1037 9.858 -33.036 4.223 1.00 0.00 H new ATOM 0 HG SER A1037 8.457 -31.464 3.233 1.00 0.00 H new ATOM 1884 N THR A1038 11.551 -33.793 6.376 1.00 0.00 N ATOM 1885 CA THR A1038 12.681 -34.628 6.668 1.00 0.00 C ATOM 1886 C THR A1038 12.447 -35.990 6.022 1.00 0.00 C ATOM 1887 O THR A1038 11.318 -36.491 5.993 1.00 0.00 O ATOM 1888 CB THR A1038 12.905 -34.741 8.206 1.00 0.00 C ATOM 1889 OG1 THR A1038 14.062 -35.532 8.513 1.00 0.00 O ATOM 1890 CG2 THR A1038 11.689 -35.325 8.919 1.00 0.00 C ATOM 0 H THR A1038 10.664 -34.294 6.329 1.00 0.00 H new ATOM 0 HA THR A1038 13.591 -34.190 6.257 1.00 0.00 H new ATOM 0 HB THR A1038 13.063 -33.725 8.567 1.00 0.00 H new ATOM 0 HG1 THR A1038 14.176 -35.582 9.485 1.00 0.00 H new ATOM 0 HG21 THR A1038 11.889 -35.386 9.989 1.00 0.00 H new ATOM 0 HG22 THR A1038 10.824 -34.684 8.747 1.00 0.00 H new ATOM 0 HG23 THR A1038 11.484 -36.323 8.531 1.00 0.00 H new ATOM 1898 N ALA A1039 13.490 -36.561 5.462 1.00 0.00 N ATOM 1899 CA ALA A1039 13.379 -37.839 4.793 1.00 0.00 C ATOM 1900 C ALA A1039 14.234 -38.870 5.496 1.00 0.00 C ATOM 1901 O ALA A1039 13.758 -39.943 5.873 1.00 0.00 O ATOM 1902 CB ALA A1039 13.788 -37.709 3.336 1.00 0.00 C ATOM 0 H ALA A1039 14.428 -36.160 5.456 1.00 0.00 H new ATOM 0 HA ALA A1039 12.340 -38.167 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A1039 13.699 -38.678 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A1039 13.138 -36.990 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A1039 14.821 -37.366 3.277 1.00 0.00 H new ATOM 1908 N ARG A1040 15.479 -38.521 5.730 1.00 0.00 N ATOM 1909 CA ARG A1040 16.412 -39.434 6.332 1.00 0.00 C ATOM 1910 C ARG A1040 17.003 -38.794 7.578 1.00 0.00 C ATOM 1911 O ARG A1040 16.793 -39.330 8.675 1.00 0.00 O ATOM 1912 CB ARG A1040 17.470 -39.868 5.303 1.00 0.00 C ATOM 1913 CG ARG A1040 18.377 -38.760 4.793 1.00 0.00 C ATOM 1914 CD ARG A1040 19.016 -39.148 3.473 1.00 0.00 C ATOM 1915 NE ARG A1040 18.048 -39.066 2.372 1.00 0.00 N ATOM 1916 CZ ARG A1040 17.740 -40.057 1.526 1.00 0.00 C ATOM 1917 NH1 ARG A1040 18.220 -41.286 1.713 1.00 0.00 N ATOM 1918 NH2 ARG A1040 16.910 -39.824 0.513 1.00 0.00 N ATOM 1919 OXT ARG A1040 17.568 -37.688 7.481 1.00 0.00 O ATOM 0 H ARG A1040 15.867 -37.604 5.509 1.00 0.00 H new ATOM 0 HA ARG A1040 15.908 -40.347 6.648 1.00 0.00 H new ATOM 0 HB2 ARG A1040 18.090 -40.645 5.750 1.00 0.00 H new ATOM 0 HB3 ARG A1040 16.960 -40.318 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A1040 17.802 -37.843 4.667 1.00 0.00 H new ATOM 0 HG3 ARG A1040 19.153 -38.552 5.530 1.00 0.00 H new ATOM 0 HD2 ARG A1040 19.861 -38.491 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A1040 19.410 -40.162 3.540 1.00 0.00 H new ATOM 0 HE ARG A1040 17.568 -38.176 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A1040 18.829 -41.480 2.508 1.00 0.00 H new ATOM 0 HH12 ARG A1040 17.978 -42.033 1.061 1.00 0.00 H new ATOM 0 HH21 ARG A1040 16.512 -38.894 0.384 1.00 0.00 H new ATOM 0 HH22 ARG A1040 16.672 -40.575 -0.134 1.00 0.00 H new TER 1933 ARG A1040