USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 976 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: A1007 SER OG : rot -8:sc= 1.07 USER MOD Set 1.2: A1012 HIS : no HD1:sc= -3.22 K(o=-2.1,f=-6.1!) USER MOD Set 2.1: A 973 MET CE :methyl 146:sc= 0 (180deg=-0.595) USER MOD Set 2.2: A 991 THR OG1 : rot -53:sc= 0.976 USER MOD Set 3.1: A 978 THR OG1 : rot 81:sc= 0.517 USER MOD Set 3.2: A 984 SER OG : rot -163:sc= 0.492 USER MOD Set 4.1: A 962 SER OG : rot 35:sc= 0.1 USER MOD Set 4.2: A 981 GLN : amide:sc= -5.48! C(o=-5.4!,f=-6.2!) USER MOD Set 5.1: A 929 LYS NZ :NH3+ -136:sc= -0.0906 (180deg=-1.25) USER MOD Set 5.2: A 942 SER OG : rot 28:sc= 0.126 USER MOD Set 6.1: A 916 GLN :FLIP amide:sc= -3.65! C(o=-5.9!,f=-3.5!) USER MOD Set 6.2: A 918 THR OG1 : rot -22:sc= 0.154! USER MOD Single : A 901 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-3.7!) USER MOD Single : A 903 GLN :FLIP amide:sc= -0.426 F(o=-2.4!,f=-0.43) USER MOD Single : A 907 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.0096) USER MOD Single : A 912 LYS NZ :NH3+ 147:sc= -2.43 (180deg=-4.94!) USER MOD Single : A 914 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 THR OG1 : rot -120:sc= -0.502 USER MOD Single : A 917 THR OG1 : rot 23:sc= 0.791 USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 926 THR OG1 : rot 11:sc= 0.954 USER MOD Single : A 927 SER OG : rot 180:sc= 0 USER MOD Single : A 930 TYR OH : rot -117:sc= -4.07! USER MOD Single : A 936 TYR OH : rot 180:sc= 0 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 944 THR OG1 : rot 17:sc= 0.106 USER MOD Single : A 948 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 952 SER OG : rot -170:sc= -0.367 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ 165:sc= -0.0473 (180deg=-0.289) USER MOD Single : A 959 LYS NZ :NH3+ 169:sc= -0.021 (180deg=-0.208) USER MOD Single : A 961 LYS NZ :NH3+ -120:sc= -4.18! (180deg=-5.87!) USER MOD Single : A 964 LYS NZ :NH3+ 170:sc= -0.0269 (180deg=-0.213) USER MOD Single : A 965 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 971 ASN :FLIP amide:sc= -0.849 F(o=-1.8!,f=-0.85) USER MOD Single : A 975 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 TYR OH : rot 165:sc= -0.751 USER MOD Single : A 989 SER OG : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot -142:sc= -0.0149 USER MOD Single : A 994 HIS : no HD1:sc= -3.95 K(o=-4,f=-5.8!) USER MOD Single : A 999 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-5.8!) USER MOD Single : A1000 SER OG : rot 180:sc= -0.717 USER MOD Single : A1001 SER OG : rot 170:sc= -1.16 USER MOD Single : A1009 ASN : amide:sc= -0.445 K(o=-0.44,f=-4.5!) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1015 THR OG1 : rot -170:sc= -0.49 USER MOD Single : A1016 LYS NZ :NH3+ -166:sc= -0.0442 (180deg=-0.274) USER MOD Single : A1021 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 897 38.770 -7.353 1.650 1.00 0.00 N ATOM 2 CA GLU A 897 39.930 -7.563 0.744 1.00 0.00 C ATOM 3 C GLU A 897 39.503 -7.506 -0.720 1.00 0.00 C ATOM 4 O GLU A 897 39.922 -8.332 -1.532 1.00 0.00 O ATOM 5 CB GLU A 897 40.555 -8.924 1.061 1.00 0.00 C ATOM 6 CG GLU A 897 41.044 -9.049 2.495 1.00 0.00 C ATOM 7 CD GLU A 897 41.655 -10.406 2.789 1.00 0.00 C ATOM 8 OE1 GLU A 897 41.696 -11.252 1.870 1.00 0.00 O ATOM 9 OE2 GLU A 897 42.090 -10.623 3.940 1.00 0.00 O ATOM 0 HA GLU A 897 40.659 -6.768 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 897 39.821 -9.706 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 897 41.392 -9.097 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 897 41.783 -8.272 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 897 40.210 -8.875 3.175 1.00 0.00 H new ATOM 18 N ALA A 898 38.667 -6.525 -1.047 1.00 0.00 N ATOM 19 CA ALA A 898 38.179 -6.353 -2.412 1.00 0.00 C ATOM 20 C ALA A 898 37.478 -7.611 -2.910 1.00 0.00 C ATOM 21 O ALA A 898 37.007 -8.426 -2.117 1.00 0.00 O ATOM 22 CB ALA A 898 39.329 -5.983 -3.338 1.00 0.00 C ATOM 0 H ALA A 898 38.313 -5.836 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 898 37.450 -5.543 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 898 38.953 -5.857 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 898 39.782 -5.051 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 898 40.077 -6.776 -3.324 1.00 0.00 H new ATOM 28 N GLU A 899 37.417 -7.755 -4.231 1.00 0.00 N ATOM 29 CA GLU A 899 36.778 -8.909 -4.860 1.00 0.00 C ATOM 30 C GLU A 899 35.283 -8.951 -4.553 1.00 0.00 C ATOM 31 O GLU A 899 34.869 -8.797 -3.404 1.00 0.00 O ATOM 32 CB GLU A 899 37.444 -10.208 -4.397 1.00 0.00 C ATOM 33 CG GLU A 899 36.848 -11.458 -5.024 1.00 0.00 C ATOM 34 CD GLU A 899 37.521 -12.730 -4.547 1.00 0.00 C ATOM 35 OE1 GLU A 899 38.744 -12.870 -4.760 1.00 0.00 O ATOM 36 OE2 GLU A 899 36.826 -13.585 -3.961 1.00 0.00 O ATOM 0 H GLU A 899 37.805 -7.082 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 899 36.902 -8.810 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 899 38.507 -10.165 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 899 37.362 -10.282 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 899 35.784 -11.505 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 899 36.933 -11.391 -6.109 1.00 0.00 H new ATOM 43 N ALA A 900 34.479 -9.165 -5.594 1.00 0.00 N ATOM 44 CA ALA A 900 33.026 -9.235 -5.453 1.00 0.00 C ATOM 45 C ALA A 900 32.438 -7.898 -5.021 1.00 0.00 C ATOM 46 O ALA A 900 32.975 -7.223 -4.143 1.00 0.00 O ATOM 47 CB ALA A 900 32.635 -10.318 -4.464 1.00 0.00 C ATOM 0 H ALA A 900 34.812 -9.293 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 900 32.617 -9.483 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 900 31.549 -10.353 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 900 33.001 -11.282 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 900 33.073 -10.097 -3.491 1.00 0.00 H new ATOM 53 N HIS A 901 31.322 -7.527 -5.642 1.00 0.00 N ATOM 54 CA HIS A 901 30.645 -6.276 -5.325 1.00 0.00 C ATOM 55 C HIS A 901 29.145 -6.412 -5.557 1.00 0.00 C ATOM 56 O HIS A 901 28.713 -6.958 -6.573 1.00 0.00 O ATOM 57 CB HIS A 901 31.201 -5.129 -6.173 1.00 0.00 C ATOM 58 CG HIS A 901 32.673 -4.916 -6.006 1.00 0.00 C ATOM 59 ND1 HIS A 901 33.624 -5.759 -6.544 1.00 0.00 N ATOM 60 CD2 HIS A 901 33.355 -3.958 -5.340 1.00 0.00 C ATOM 61 CE1 HIS A 901 34.828 -5.326 -6.214 1.00 0.00 C ATOM 62 NE2 HIS A 901 34.692 -4.234 -5.485 1.00 0.00 N ATOM 0 H HIS A 901 30.867 -8.078 -6.370 1.00 0.00 H new ATOM 0 HA HIS A 901 30.823 -6.050 -4.274 1.00 0.00 H new ATOM 0 HB2 HIS A 901 30.989 -5.329 -7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 901 30.678 -4.209 -5.912 1.00 0.00 H new ATOM 0 HD2 HIS A 901 32.928 -3.129 -4.795 1.00 0.00 H new ATOM 0 HE1 HIS A 901 35.764 -5.787 -6.493 1.00 0.00 H new ATOM 0 HE2 HIS A 901 35.456 -3.684 -5.093 1.00 0.00 H new ATOM 71 N CYS A 902 28.354 -5.913 -4.612 1.00 0.00 N ATOM 72 CA CYS A 902 26.903 -5.990 -4.718 1.00 0.00 C ATOM 73 C CYS A 902 26.363 -4.892 -5.625 1.00 0.00 C ATOM 74 O CYS A 902 26.574 -3.704 -5.378 1.00 0.00 O ATOM 75 CB CYS A 902 26.265 -5.891 -3.330 1.00 0.00 C ATOM 76 SG CYS A 902 26.834 -4.461 -2.354 1.00 0.00 S ATOM 0 H CYS A 902 28.693 -5.453 -3.767 1.00 0.00 H new ATOM 0 HA CYS A 902 26.645 -6.953 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 902 25.182 -5.834 -3.442 1.00 0.00 H new ATOM 0 HB3 CYS A 902 26.480 -6.805 -2.776 1.00 0.00 H new ATOM 81 N GLN A 903 25.669 -5.304 -6.681 1.00 0.00 N ATOM 82 CA GLN A 903 25.096 -4.364 -7.640 1.00 0.00 C ATOM 83 C GLN A 903 23.949 -3.572 -7.029 1.00 0.00 C ATOM 84 O GLN A 903 23.504 -3.851 -5.916 1.00 0.00 O ATOM 85 CB GLN A 903 24.599 -5.098 -8.887 1.00 0.00 C ATOM 86 CG GLN A 903 25.693 -5.825 -9.650 1.00 0.00 C ATOM 87 CD GLN A 903 26.709 -4.887 -10.284 1.00 0.00 C ATOM 88 OE1 GLN A 903 26.461 -3.584 -10.198 1.00 0.00 O flip ATOM 89 NE2 GLN A 903 27.704 -5.334 -10.854 1.00 0.00 N flip ATOM 0 H GLN A 903 25.489 -6.285 -6.895 1.00 0.00 H new ATOM 0 HA GLN A 903 25.887 -3.669 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 903 23.835 -5.818 -8.593 1.00 0.00 H new ATOM 0 HB3 GLN A 903 24.121 -4.380 -9.553 1.00 0.00 H new ATOM 0 HG2 GLN A 903 26.210 -6.504 -8.972 1.00 0.00 H new ATOM 0 HG3 GLN A 903 25.238 -6.437 -10.429 1.00 0.00 H new ATOM 0 HE21 GLN A 903 27.857 -6.341 -10.898 1.00 0.00 H new ATOM 0 HE22 GLN A 903 28.375 -4.697 -11.283 1.00 0.00 H new ATOM 98 N ALA A 904 23.477 -2.586 -7.782 1.00 0.00 N ATOM 99 CA ALA A 904 22.375 -1.734 -7.354 1.00 0.00 C ATOM 100 C ALA A 904 21.205 -2.557 -6.815 1.00 0.00 C ATOM 101 O ALA A 904 20.885 -3.619 -7.350 1.00 0.00 O ATOM 102 CB ALA A 904 21.924 -0.857 -8.512 1.00 0.00 C ATOM 0 H ALA A 904 23.846 -2.355 -8.704 1.00 0.00 H new ATOM 0 HA ALA A 904 22.729 -1.101 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 904 21.100 -0.222 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 904 22.755 -0.233 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 904 21.593 -1.487 -9.338 1.00 0.00 H new ATOM 108 N PRO A 905 20.549 -2.075 -5.742 1.00 0.00 N ATOM 109 CA PRO A 905 19.409 -2.769 -5.125 1.00 0.00 C ATOM 110 C PRO A 905 18.315 -3.095 -6.123 1.00 0.00 C ATOM 111 O PRO A 905 17.840 -2.236 -6.864 1.00 0.00 O ATOM 112 CB PRO A 905 18.908 -1.778 -4.075 1.00 0.00 C ATOM 113 CG PRO A 905 20.089 -0.926 -3.764 1.00 0.00 C ATOM 114 CD PRO A 905 20.870 -0.818 -5.043 1.00 0.00 C ATOM 0 HA PRO A 905 19.701 -3.733 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 905 18.079 -1.182 -4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 905 18.546 -2.293 -3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 905 19.779 0.058 -3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 905 20.694 -1.371 -2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 905 20.571 0.054 -5.625 1.00 0.00 H new ATOM 0 HD3 PRO A 905 21.939 -0.724 -4.855 1.00 0.00 H new ATOM 122 N ASP A 906 17.946 -4.364 -6.135 1.00 0.00 N ATOM 123 CA ASP A 906 16.934 -4.874 -7.030 1.00 0.00 C ATOM 124 C ASP A 906 15.531 -4.376 -6.685 1.00 0.00 C ATOM 125 O ASP A 906 15.008 -4.655 -5.609 1.00 0.00 O ATOM 126 CB ASP A 906 16.975 -6.390 -6.988 1.00 0.00 C ATOM 127 CG ASP A 906 16.614 -6.948 -5.625 1.00 0.00 C ATOM 128 OD1 ASP A 906 17.320 -6.627 -4.646 1.00 0.00 O ATOM 129 OD2 ASP A 906 15.625 -7.706 -5.536 1.00 0.00 O ATOM 0 H ASP A 906 18.346 -5.071 -5.518 1.00 0.00 H new ATOM 0 HA ASP A 906 17.152 -4.506 -8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 906 16.287 -6.789 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 906 17.974 -6.730 -7.262 1.00 0.00 H new ATOM 134 N HIS A 907 14.923 -3.674 -7.639 1.00 0.00 N ATOM 135 CA HIS A 907 13.560 -3.145 -7.501 1.00 0.00 C ATOM 136 C HIS A 907 13.292 -2.528 -6.125 1.00 0.00 C ATOM 137 O HIS A 907 13.115 -3.239 -5.135 1.00 0.00 O ATOM 138 CB HIS A 907 12.539 -4.250 -7.776 1.00 0.00 C ATOM 139 CG HIS A 907 12.633 -4.832 -9.154 1.00 0.00 C ATOM 140 ND1 HIS A 907 11.808 -5.843 -9.602 1.00 0.00 N ATOM 141 CD2 HIS A 907 13.460 -4.540 -10.189 1.00 0.00 C ATOM 142 CE1 HIS A 907 12.123 -6.147 -10.848 1.00 0.00 C ATOM 143 NE2 HIS A 907 13.120 -5.371 -11.228 1.00 0.00 N ATOM 0 H HIS A 907 15.360 -3.453 -8.534 1.00 0.00 H new ATOM 0 HA HIS A 907 13.459 -2.346 -8.235 1.00 0.00 H new ATOM 0 HB2 HIS A 907 12.675 -5.047 -7.045 1.00 0.00 H new ATOM 0 HB3 HIS A 907 11.536 -3.850 -7.629 1.00 0.00 H new ATOM 0 HD2 HIS A 907 14.240 -3.793 -10.195 1.00 0.00 H new ATOM 0 HE1 HIS A 907 11.645 -6.903 -11.453 1.00 0.00 H new ATOM 0 HE2 HIS A 907 13.566 -5.386 -12.145 1.00 0.00 H new ATOM 152 N PHE A 908 13.221 -1.199 -6.086 1.00 0.00 N ATOM 153 CA PHE A 908 12.941 -0.462 -4.851 1.00 0.00 C ATOM 154 C PHE A 908 12.125 0.786 -5.163 1.00 0.00 C ATOM 155 O PHE A 908 12.439 1.885 -4.707 1.00 0.00 O ATOM 156 CB PHE A 908 14.235 -0.057 -4.134 1.00 0.00 C ATOM 157 CG PHE A 908 14.877 -1.164 -3.350 1.00 0.00 C ATOM 158 CD1 PHE A 908 15.450 -2.246 -3.991 1.00 0.00 C ATOM 159 CD2 PHE A 908 14.899 -1.121 -1.966 1.00 0.00 C ATOM 160 CE1 PHE A 908 16.035 -3.268 -3.267 1.00 0.00 C ATOM 161 CE2 PHE A 908 15.482 -2.138 -1.236 1.00 0.00 C ATOM 162 CZ PHE A 908 16.051 -3.214 -1.888 1.00 0.00 C ATOM 0 H PHE A 908 13.355 -0.604 -6.903 1.00 0.00 H new ATOM 0 HA PHE A 908 12.375 -1.121 -4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 908 14.947 0.310 -4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 908 14.019 0.772 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 908 15.441 -2.294 -5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 908 14.455 -0.282 -1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 908 16.479 -4.108 -3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 908 15.493 -2.092 -0.157 1.00 0.00 H new ATOM 0 HZ PHE A 908 16.507 -4.011 -1.320 1.00 0.00 H new ATOM 172 N LEU A 909 11.082 0.599 -5.959 1.00 0.00 N ATOM 173 CA LEU A 909 10.208 1.689 -6.366 1.00 0.00 C ATOM 174 C LEU A 909 9.277 2.118 -5.237 1.00 0.00 C ATOM 175 O LEU A 909 8.564 3.113 -5.354 1.00 0.00 O ATOM 176 CB LEU A 909 9.407 1.256 -7.585 1.00 0.00 C ATOM 177 CG LEU A 909 10.270 0.773 -8.748 1.00 0.00 C ATOM 178 CD1 LEU A 909 9.417 0.104 -9.808 1.00 0.00 C ATOM 179 CD2 LEU A 909 11.068 1.927 -9.330 1.00 0.00 C ATOM 0 H LEU A 909 10.819 -0.310 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 909 10.824 2.553 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 909 8.724 0.457 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 909 8.794 2.092 -7.922 1.00 0.00 H new ATOM 0 HG LEU A 909 10.975 0.031 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 909 10.052 -0.232 -10.627 1.00 0.00 H new ATOM 0 HD12 LEU A 909 8.902 -0.752 -9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 909 8.683 0.815 -10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 909 11.678 1.566 -10.158 1.00 0.00 H new ATOM 0 HD22 LEU A 909 10.385 2.696 -9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 909 11.714 2.348 -8.560 1.00 0.00 H new ATOM 191 N PHE A 910 9.292 1.366 -4.145 1.00 0.00 N ATOM 192 CA PHE A 910 8.453 1.678 -2.995 1.00 0.00 C ATOM 193 C PHE A 910 9.131 2.703 -2.092 1.00 0.00 C ATOM 194 O PHE A 910 8.503 3.269 -1.193 1.00 0.00 O ATOM 195 CB PHE A 910 8.117 0.403 -2.212 1.00 0.00 C ATOM 196 CG PHE A 910 9.283 -0.524 -2.000 1.00 0.00 C ATOM 197 CD1 PHE A 910 10.480 -0.061 -1.477 1.00 0.00 C ATOM 198 CD2 PHE A 910 9.173 -1.868 -2.322 1.00 0.00 C ATOM 199 CE1 PHE A 910 11.546 -0.920 -1.284 1.00 0.00 C ATOM 200 CE2 PHE A 910 10.235 -2.731 -2.128 1.00 0.00 C ATOM 201 CZ PHE A 910 11.422 -2.256 -1.609 1.00 0.00 C ATOM 0 H PHE A 910 9.875 0.537 -4.031 1.00 0.00 H new ATOM 0 HA PHE A 910 7.522 2.112 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.712 0.685 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 910 7.331 -0.137 -2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 910 10.581 0.982 -1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 910 8.247 -2.245 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 910 12.475 -0.546 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 910 10.136 -3.776 -2.382 1.00 0.00 H new ATOM 0 HZ PHE A 910 12.253 -2.929 -1.457 1.00 0.00 H new ATOM 211 N ALA A 911 10.416 2.941 -2.340 1.00 0.00 N ATOM 212 CA ALA A 911 11.180 3.899 -1.552 1.00 0.00 C ATOM 213 C ALA A 911 12.332 4.487 -2.359 1.00 0.00 C ATOM 214 O ALA A 911 13.027 3.772 -3.081 1.00 0.00 O ATOM 215 CB ALA A 911 11.705 3.242 -0.285 1.00 0.00 C ATOM 0 H ALA A 911 10.948 2.483 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 911 10.512 4.715 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 911 12.274 3.970 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 911 10.867 2.880 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.351 2.405 -0.550 1.00 0.00 H new ATOM 221 N LYS A 912 12.522 5.794 -2.234 1.00 0.00 N ATOM 222 CA LYS A 912 13.582 6.488 -2.953 1.00 0.00 C ATOM 223 C LYS A 912 14.861 6.551 -2.120 1.00 0.00 C ATOM 224 O LYS A 912 14.858 7.040 -0.991 1.00 0.00 O ATOM 225 CB LYS A 912 13.109 7.895 -3.325 1.00 0.00 C ATOM 226 CG LYS A 912 12.523 8.665 -2.150 1.00 0.00 C ATOM 227 CD LYS A 912 11.688 9.856 -2.603 1.00 0.00 C ATOM 228 CE LYS A 912 12.542 10.981 -3.168 1.00 0.00 C ATOM 229 NZ LYS A 912 13.287 10.570 -4.389 1.00 0.00 N ATOM 0 H LYS A 912 11.953 6.397 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 912 13.810 5.934 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 912 13.949 8.456 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 912 12.359 7.822 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 912 11.905 7.996 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 912 13.331 9.013 -1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 912 10.975 9.530 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 912 11.108 10.232 -1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 912 11.905 11.833 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 912 13.250 11.313 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 13.381 11.384 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 14.233 10.230 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 12.769 9.808 -4.872 1.00 0.00 H new ATOM 243 N LEU A 913 15.947 6.039 -2.694 1.00 0.00 N ATOM 244 CA LEU A 913 17.247 6.015 -2.028 1.00 0.00 C ATOM 245 C LEU A 913 17.574 7.376 -1.408 1.00 0.00 C ATOM 246 O LEU A 913 17.465 8.413 -2.063 1.00 0.00 O ATOM 247 CB LEU A 913 18.326 5.585 -3.032 1.00 0.00 C ATOM 248 CG LEU A 913 19.739 5.391 -2.472 1.00 0.00 C ATOM 249 CD1 LEU A 913 20.410 6.729 -2.242 1.00 0.00 C ATOM 250 CD2 LEU A 913 19.716 4.568 -1.192 1.00 0.00 C ATOM 0 H LEU A 913 15.951 5.631 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 913 17.216 5.292 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.010 4.649 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 913 18.372 6.332 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 913 20.320 4.839 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 913 21.412 6.570 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.476 7.270 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 913 19.825 7.312 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 913 20.733 4.447 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 913 19.112 5.079 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 913 19.286 3.588 -1.397 1.00 0.00 H new ATOM 262 N LYS A 914 17.955 7.359 -0.130 1.00 0.00 N ATOM 263 CA LYS A 914 18.279 8.583 0.606 1.00 0.00 C ATOM 264 C LYS A 914 19.780 8.885 0.581 1.00 0.00 C ATOM 265 O LYS A 914 20.186 10.047 0.619 1.00 0.00 O ATOM 266 CB LYS A 914 17.779 8.458 2.052 1.00 0.00 C ATOM 267 CG LYS A 914 17.941 9.722 2.891 1.00 0.00 C ATOM 268 CD LYS A 914 19.355 9.877 3.435 1.00 0.00 C ATOM 269 CE LYS A 914 19.727 8.733 4.366 1.00 0.00 C ATOM 270 NZ LYS A 914 21.108 8.881 4.903 1.00 0.00 N ATOM 0 H LYS A 914 18.047 6.505 0.420 1.00 0.00 H new ATOM 0 HA LYS A 914 17.777 9.417 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 914 16.725 8.181 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 914 18.315 7.643 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 914 17.690 10.592 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 914 17.235 9.697 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 914 20.062 9.916 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 914 19.438 10.823 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 914 19.018 8.693 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 914 19.645 7.787 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 21.323 8.082 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 21.787 8.894 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 21.180 9.771 5.436 1.00 0.00 H new ATOM 284 N THR A 915 20.596 7.838 0.530 1.00 0.00 N ATOM 285 CA THR A 915 22.051 7.994 0.523 1.00 0.00 C ATOM 286 C THR A 915 22.518 8.869 -0.641 1.00 0.00 C ATOM 287 O THR A 915 21.845 8.975 -1.663 1.00 0.00 O ATOM 288 CB THR A 915 22.751 6.621 0.439 1.00 0.00 C ATOM 289 OG1 THR A 915 22.335 5.796 1.533 1.00 0.00 O ATOM 290 CG2 THR A 915 24.265 6.772 0.466 1.00 0.00 C ATOM 0 H THR A 915 20.277 6.870 0.493 1.00 0.00 H new ATOM 0 HA THR A 915 22.323 8.483 1.458 1.00 0.00 H new ATOM 0 HB THR A 915 22.468 6.155 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 915 23.116 5.546 2.070 1.00 0.00 H new ATOM 0 HG21 THR A 915 24.730 5.788 0.405 1.00 0.00 H new ATOM 0 HG22 THR A 915 24.585 7.378 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 915 24.566 7.259 1.394 1.00 0.00 H new ATOM 298 N GLN A 916 23.671 9.511 -0.471 1.00 0.00 N ATOM 299 CA GLN A 916 24.214 10.385 -1.504 1.00 0.00 C ATOM 300 C GLN A 916 24.408 9.643 -2.818 1.00 0.00 C ATOM 301 O GLN A 916 23.993 10.117 -3.875 1.00 0.00 O ATOM 302 CB GLN A 916 25.524 11.028 -1.032 1.00 0.00 C ATOM 303 CG GLN A 916 26.478 10.076 -0.322 1.00 0.00 C ATOM 304 CD GLN A 916 27.196 9.129 -1.264 1.00 0.00 C ATOM 305 OE1 GLN A 916 27.097 7.831 -0.994 1.00 0.00 O flip ATOM 306 NE2 GLN A 916 27.844 9.560 -2.219 1.00 0.00 N flip ATOM 0 H GLN A 916 24.245 9.442 0.370 1.00 0.00 H new ATOM 0 HA GLN A 916 23.490 11.179 -1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 916 26.034 11.457 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 916 25.287 11.853 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 916 27.217 10.658 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 916 25.920 9.494 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 916 27.894 10.564 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 916 28.331 8.912 -2.839 1.00 0.00 H new ATOM 315 N THR A 917 25.022 8.477 -2.726 1.00 0.00 N ATOM 316 CA THR A 917 25.287 7.615 -3.884 1.00 0.00 C ATOM 317 C THR A 917 25.988 8.354 -5.025 1.00 0.00 C ATOM 318 O THR A 917 25.656 9.492 -5.352 1.00 0.00 O ATOM 319 CB THR A 917 23.995 6.967 -4.422 1.00 0.00 C ATOM 320 OG1 THR A 917 23.027 7.972 -4.742 1.00 0.00 O ATOM 321 CG2 THR A 917 23.415 5.999 -3.403 1.00 0.00 C ATOM 0 H THR A 917 25.357 8.091 -1.843 1.00 0.00 H new ATOM 0 HA THR A 917 25.957 6.837 -3.518 1.00 0.00 H new ATOM 0 HB THR A 917 24.245 6.414 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 917 23.482 8.826 -4.899 1.00 0.00 H new ATOM 0 HG21 THR A 917 22.504 5.553 -3.802 1.00 0.00 H new ATOM 0 HG22 THR A 917 24.141 5.214 -3.192 1.00 0.00 H new ATOM 0 HG23 THR A 917 23.183 6.535 -2.483 1.00 0.00 H new ATOM 329 N THR A 918 26.958 7.684 -5.641 1.00 0.00 N ATOM 330 CA THR A 918 27.703 8.264 -6.755 1.00 0.00 C ATOM 331 C THR A 918 28.402 7.164 -7.553 1.00 0.00 C ATOM 332 O THR A 918 29.485 7.363 -8.105 1.00 0.00 O ATOM 333 CB THR A 918 28.751 9.285 -6.260 1.00 0.00 C ATOM 334 OG1 THR A 918 28.150 10.196 -5.332 1.00 0.00 O ATOM 335 CG2 THR A 918 29.337 10.075 -7.423 1.00 0.00 C ATOM 0 H THR A 918 27.247 6.739 -5.388 1.00 0.00 H new ATOM 0 HA THR A 918 26.990 8.784 -7.395 1.00 0.00 H new ATOM 0 HB THR A 918 29.552 8.731 -5.770 1.00 0.00 H new ATOM 0 HG1 THR A 918 27.180 10.214 -5.473 1.00 0.00 H new ATOM 0 HG21 THR A 918 30.072 10.786 -7.046 1.00 0.00 H new ATOM 0 HG22 THR A 918 29.819 9.391 -8.121 1.00 0.00 H new ATOM 0 HG23 THR A 918 28.540 10.614 -7.935 1.00 0.00 H new ATOM 343 N ALA A 919 27.769 5.995 -7.607 1.00 0.00 N ATOM 344 CA ALA A 919 28.314 4.854 -8.329 1.00 0.00 C ATOM 345 C ALA A 919 27.293 3.727 -8.420 1.00 0.00 C ATOM 346 O ALA A 919 26.570 3.457 -7.460 1.00 0.00 O ATOM 347 CB ALA A 919 29.580 4.365 -7.646 1.00 0.00 C ATOM 0 H ALA A 919 26.872 5.815 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 919 28.556 5.172 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 919 29.982 3.511 -8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 919 30.319 5.167 -7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 919 29.349 4.066 -6.624 1.00 0.00 H new ATOM 353 N SER A 920 27.238 3.063 -9.572 1.00 0.00 N ATOM 354 CA SER A 920 26.305 1.960 -9.768 1.00 0.00 C ATOM 355 C SER A 920 26.918 0.651 -9.283 1.00 0.00 C ATOM 356 O SER A 920 26.721 -0.405 -9.884 1.00 0.00 O ATOM 357 CB SER A 920 25.911 1.844 -11.235 1.00 0.00 C ATOM 358 OG SER A 920 25.336 3.049 -11.710 1.00 0.00 O ATOM 0 H SER A 920 27.826 3.269 -10.380 1.00 0.00 H new ATOM 0 HA SER A 920 25.408 2.164 -9.183 1.00 0.00 H new ATOM 0 HB2 SER A 920 26.789 1.598 -11.831 1.00 0.00 H new ATOM 0 HB3 SER A 920 25.202 1.026 -11.360 1.00 0.00 H new ATOM 0 HG SER A 920 25.094 2.946 -12.654 1.00 0.00 H new ATOM 364 N ASP A 921 27.657 0.739 -8.182 1.00 0.00 N ATOM 365 CA ASP A 921 28.309 -0.420 -7.583 1.00 0.00 C ATOM 366 C ASP A 921 28.528 -0.179 -6.095 1.00 0.00 C ATOM 367 O ASP A 921 29.083 0.847 -5.701 1.00 0.00 O ATOM 368 CB ASP A 921 29.652 -0.696 -8.267 1.00 0.00 C ATOM 369 CG ASP A 921 29.503 -1.040 -9.735 1.00 0.00 C ATOM 370 OD1 ASP A 921 28.844 -2.056 -10.043 1.00 0.00 O ATOM 371 OD2 ASP A 921 30.044 -0.293 -10.578 1.00 0.00 O ATOM 0 H ASP A 921 27.820 1.612 -7.681 1.00 0.00 H new ATOM 0 HA ASP A 921 27.665 -1.289 -7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 921 30.292 0.180 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 921 30.153 -1.517 -7.755 1.00 0.00 H new ATOM 376 N PHE A 922 28.080 -1.119 -5.271 1.00 0.00 N ATOM 377 CA PHE A 922 28.225 -0.985 -3.828 1.00 0.00 C ATOM 378 C PHE A 922 29.062 -2.109 -3.234 1.00 0.00 C ATOM 379 O PHE A 922 28.971 -3.262 -3.657 1.00 0.00 O ATOM 380 CB PHE A 922 26.855 -0.950 -3.150 1.00 0.00 C ATOM 381 CG PHE A 922 26.054 0.275 -3.482 1.00 0.00 C ATOM 382 CD1 PHE A 922 25.480 0.429 -4.734 1.00 0.00 C ATOM 383 CD2 PHE A 922 25.876 1.270 -2.539 1.00 0.00 C ATOM 384 CE1 PHE A 922 24.742 1.557 -5.037 1.00 0.00 C ATOM 385 CE2 PHE A 922 25.141 2.400 -2.834 1.00 0.00 C ATOM 386 CZ PHE A 922 24.573 2.545 -4.085 1.00 0.00 C ATOM 0 H PHE A 922 27.617 -1.976 -5.575 1.00 0.00 H new ATOM 0 HA PHE A 922 28.744 -0.044 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 922 26.290 -1.835 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 922 26.991 -1.004 -2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 922 25.611 -0.341 -5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 922 26.318 1.162 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 922 24.298 1.667 -6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 922 25.010 3.170 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 922 23.998 3.429 -4.319 1.00 0.00 H new ATOM 396 N PRO A 923 29.893 -1.779 -2.232 1.00 0.00 N ATOM 397 CA PRO A 923 30.747 -2.751 -1.556 1.00 0.00 C ATOM 398 C PRO A 923 29.985 -3.536 -0.494 1.00 0.00 C ATOM 399 O PRO A 923 29.211 -2.960 0.272 1.00 0.00 O ATOM 400 CB PRO A 923 31.808 -1.868 -0.906 1.00 0.00 C ATOM 401 CG PRO A 923 31.086 -0.604 -0.585 1.00 0.00 C ATOM 402 CD PRO A 923 30.055 -0.420 -1.671 1.00 0.00 C ATOM 0 HA PRO A 923 31.148 -3.503 -2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 923 32.217 -2.332 -0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 923 32.645 -1.688 -1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 923 30.612 -0.664 0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 923 31.774 0.241 -0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 923 29.116 -0.037 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 923 30.392 0.288 -2.428 1.00 0.00 H new ATOM 410 N ILE A 924 30.208 -4.846 -0.445 1.00 0.00 N ATOM 411 CA ILE A 924 29.541 -5.693 0.539 1.00 0.00 C ATOM 412 C ILE A 924 29.727 -5.129 1.941 1.00 0.00 C ATOM 413 O ILE A 924 30.722 -4.458 2.220 1.00 0.00 O ATOM 414 CB ILE A 924 30.073 -7.133 0.500 1.00 0.00 C ATOM 415 CG1 ILE A 924 29.964 -7.703 -0.916 1.00 0.00 C ATOM 416 CG2 ILE A 924 29.294 -7.988 1.486 1.00 0.00 C ATOM 417 CD1 ILE A 924 30.586 -9.074 -1.068 1.00 0.00 C ATOM 0 H ILE A 924 30.842 -5.342 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 924 28.481 -5.708 0.286 1.00 0.00 H new ATOM 0 HB ILE A 924 31.125 -7.136 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 924 28.912 -7.758 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 924 30.444 -7.016 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 924 29.671 -9.010 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 924 29.413 -7.584 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 924 28.238 -7.984 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 924 30.471 -9.414 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 924 31.646 -9.022 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 924 30.090 -9.775 -0.397 1.00 0.00 H new ATOM 429 N GLY A 925 28.758 -5.380 2.815 1.00 0.00 N ATOM 430 CA GLY A 925 28.842 -4.858 4.163 1.00 0.00 C ATOM 431 C GLY A 925 28.594 -3.367 4.176 1.00 0.00 C ATOM 432 O GLY A 925 29.528 -2.577 4.304 1.00 0.00 O ATOM 0 H GLY A 925 27.923 -5.931 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 925 28.111 -5.359 4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 925 29.826 -5.071 4.580 1.00 0.00 H new ATOM 436 N THR A 926 27.329 -2.990 4.013 1.00 0.00 N ATOM 437 CA THR A 926 26.938 -1.587 3.968 1.00 0.00 C ATOM 438 C THR A 926 25.420 -1.448 3.901 1.00 0.00 C ATOM 439 O THR A 926 24.758 -2.099 3.089 1.00 0.00 O ATOM 440 CB THR A 926 27.564 -0.885 2.740 1.00 0.00 C ATOM 441 OG1 THR A 926 28.951 -0.615 2.974 1.00 0.00 O ATOM 442 CG2 THR A 926 26.841 0.409 2.401 1.00 0.00 C ATOM 0 H THR A 926 26.553 -3.643 3.909 1.00 0.00 H new ATOM 0 HA THR A 926 27.302 -1.114 4.880 1.00 0.00 H new ATOM 0 HB THR A 926 27.462 -1.562 1.892 1.00 0.00 H new ATOM 0 HG1 THR A 926 29.243 -1.081 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 926 27.311 0.872 1.533 1.00 0.00 H new ATOM 0 HG22 THR A 926 25.796 0.194 2.177 1.00 0.00 H new ATOM 0 HG23 THR A 926 26.897 1.090 3.250 1.00 0.00 H new ATOM 450 N SER A 927 24.883 -0.594 4.770 1.00 0.00 N ATOM 451 CA SER A 927 23.445 -0.351 4.837 1.00 0.00 C ATOM 452 C SER A 927 23.071 0.936 4.110 1.00 0.00 C ATOM 453 O SER A 927 23.895 1.839 3.962 1.00 0.00 O ATOM 454 CB SER A 927 22.986 -0.274 6.295 1.00 0.00 C ATOM 455 OG SER A 927 23.673 0.750 6.993 1.00 0.00 O ATOM 0 H SER A 927 25.428 -0.055 5.443 1.00 0.00 H new ATOM 0 HA SER A 927 22.942 -1.184 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 927 21.913 -0.087 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 927 23.160 -1.232 6.785 1.00 0.00 H new ATOM 0 HG SER A 927 23.360 0.780 7.921 1.00 0.00 H new ATOM 461 N LEU A 928 21.822 1.016 3.661 1.00 0.00 N ATOM 462 CA LEU A 928 21.338 2.197 2.951 1.00 0.00 C ATOM 463 C LEU A 928 19.905 2.531 3.353 1.00 0.00 C ATOM 464 O LEU A 928 19.025 1.675 3.306 1.00 0.00 O ATOM 465 CB LEU A 928 21.402 1.967 1.438 1.00 0.00 C ATOM 466 CG LEU A 928 22.806 1.770 0.863 1.00 0.00 C ATOM 467 CD1 LEU A 928 22.727 1.383 -0.604 1.00 0.00 C ATOM 468 CD2 LEU A 928 23.633 3.035 1.035 1.00 0.00 C ATOM 0 H LEU A 928 21.127 0.278 3.776 1.00 0.00 H new ATOM 0 HA LEU A 928 21.980 3.036 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 928 20.802 1.090 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 928 20.939 2.818 0.938 1.00 0.00 H new ATOM 0 HG LEU A 928 23.294 0.962 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 928 23.734 1.246 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 928 22.168 0.453 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 928 22.222 2.172 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 928 24.629 2.878 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.149 3.860 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 928 23.715 3.275 2.095 1.00 0.00 H new ATOM 480 N LYS A 929 19.674 3.786 3.737 1.00 0.00 N ATOM 481 CA LYS A 929 18.340 4.232 4.133 1.00 0.00 C ATOM 482 C LYS A 929 17.522 4.645 2.918 1.00 0.00 C ATOM 483 O LYS A 929 18.045 5.253 1.984 1.00 0.00 O ATOM 484 CB LYS A 929 18.420 5.406 5.115 1.00 0.00 C ATOM 485 CG LYS A 929 18.916 5.019 6.497 1.00 0.00 C ATOM 486 CD LYS A 929 17.972 4.045 7.183 1.00 0.00 C ATOM 487 CE LYS A 929 18.525 3.579 8.519 1.00 0.00 C ATOM 488 NZ LYS A 929 19.834 2.885 8.368 1.00 0.00 N ATOM 0 H LYS A 929 20.392 4.510 3.782 1.00 0.00 H new ATOM 0 HA LYS A 929 17.849 3.392 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.082 6.168 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 929 17.432 5.858 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 929 19.906 4.570 6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 929 19.022 5.915 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 929 17.004 4.522 7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 929 17.805 3.183 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 929 18.643 4.436 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 929 17.810 2.906 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 19.842 2.028 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 19.975 2.622 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 20.600 3.520 8.670 1.00 0.00 H new ATOM 502 N TYR A 930 16.236 4.317 2.940 1.00 0.00 N ATOM 503 CA TYR A 930 15.346 4.662 1.836 1.00 0.00 C ATOM 504 C TYR A 930 14.093 5.362 2.347 1.00 0.00 C ATOM 505 O TYR A 930 13.462 4.907 3.301 1.00 0.00 O ATOM 506 CB TYR A 930 14.946 3.414 1.042 1.00 0.00 C ATOM 507 CG TYR A 930 16.097 2.726 0.345 1.00 0.00 C ATOM 508 CD1 TYR A 930 17.100 2.097 1.069 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.174 2.699 -1.041 1.00 0.00 C ATOM 510 CE1 TYR A 930 18.149 1.464 0.433 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.219 2.067 -1.686 1.00 0.00 C ATOM 512 CZ TYR A 930 18.204 1.451 -0.943 1.00 0.00 C ATOM 513 OH TYR A 930 19.249 0.823 -1.578 1.00 0.00 O ATOM 0 H TYR A 930 15.787 3.815 3.706 1.00 0.00 H new ATOM 0 HA TYR A 930 15.889 5.340 1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 930 14.469 2.704 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.201 3.694 0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 930 17.059 2.103 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.403 3.180 -1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 930 18.923 0.981 1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.264 2.055 -2.765 1.00 0.00 H new ATOM 0 HH TYR A 930 19.763 1.481 -2.091 1.00 0.00 H new ATOM 523 N GLU A 931 13.732 6.464 1.698 1.00 0.00 N ATOM 524 CA GLU A 931 12.546 7.217 2.082 1.00 0.00 C ATOM 525 C GLU A 931 11.342 6.744 1.279 1.00 0.00 C ATOM 526 O GLU A 931 11.325 6.835 0.053 1.00 0.00 O ATOM 527 CB GLU A 931 12.770 8.716 1.864 1.00 0.00 C ATOM 528 CG GLU A 931 13.926 9.281 2.674 1.00 0.00 C ATOM 529 CD GLU A 931 14.119 10.769 2.454 1.00 0.00 C ATOM 530 OE1 GLU A 931 13.178 11.538 2.739 1.00 0.00 O ATOM 531 OE2 GLU A 931 15.212 11.165 1.998 1.00 0.00 O ATOM 0 H GLU A 931 14.243 6.854 0.906 1.00 0.00 H new ATOM 0 HA GLU A 931 12.353 7.045 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 931 12.956 8.897 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 931 11.858 9.253 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 931 13.749 9.094 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 931 14.843 8.756 2.407 1.00 0.00 H new ATOM 538 N CYS A 932 10.343 6.228 1.981 1.00 0.00 N ATOM 539 CA CYS A 932 9.132 5.724 1.344 1.00 0.00 C ATOM 540 C CYS A 932 8.460 6.789 0.489 1.00 0.00 C ATOM 541 O CYS A 932 8.520 7.979 0.799 1.00 0.00 O ATOM 542 CB CYS A 932 8.149 5.228 2.401 1.00 0.00 C ATOM 543 SG CYS A 932 8.820 3.951 3.508 1.00 0.00 S ATOM 0 H CYS A 932 10.347 6.147 2.998 1.00 0.00 H new ATOM 0 HA CYS A 932 9.424 4.899 0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 932 7.821 6.076 3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.266 4.831 1.901 1.00 0.00 H new ATOM 548 N ARG A 933 7.799 6.349 -0.578 1.00 0.00 N ATOM 549 CA ARG A 933 7.091 7.261 -1.466 1.00 0.00 C ATOM 550 C ARG A 933 5.710 7.576 -0.894 1.00 0.00 C ATOM 551 O ARG A 933 5.175 6.805 -0.099 1.00 0.00 O ATOM 552 CB ARG A 933 6.960 6.663 -2.869 1.00 0.00 C ATOM 553 CG ARG A 933 8.273 6.611 -3.637 1.00 0.00 C ATOM 554 CD ARG A 933 8.070 6.091 -5.052 1.00 0.00 C ATOM 555 NE ARG A 933 9.279 6.213 -5.865 1.00 0.00 N ATOM 556 CZ ARG A 933 10.415 5.572 -5.605 1.00 0.00 C ATOM 557 NH1 ARG A 933 10.500 4.754 -4.567 1.00 0.00 N ATOM 558 NH2 ARG A 933 11.469 5.749 -6.391 1.00 0.00 N ATOM 0 H ARG A 933 7.740 5.367 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 933 7.665 8.185 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 933 6.557 5.654 -2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 933 6.239 7.250 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 933 8.714 7.607 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 933 8.979 5.969 -3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 933 7.765 5.045 -5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 933 7.258 6.642 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 933 9.250 6.826 -6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 933 9.691 4.613 -3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 933 11.374 4.265 -4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 933 11.407 6.376 -7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 933 12.341 5.258 -6.193 1.00 0.00 H new ATOM 572 N PRO A 934 5.124 8.728 -1.273 1.00 0.00 N ATOM 573 CA PRO A 934 3.812 9.153 -0.779 1.00 0.00 C ATOM 574 C PRO A 934 2.813 8.007 -0.632 1.00 0.00 C ATOM 575 O PRO A 934 2.227 7.821 0.436 1.00 0.00 O ATOM 576 CB PRO A 934 3.354 10.125 -1.861 1.00 0.00 C ATOM 577 CG PRO A 934 4.613 10.759 -2.348 1.00 0.00 C ATOM 578 CD PRO A 934 5.702 9.722 -2.203 1.00 0.00 C ATOM 0 HA PRO A 934 3.874 9.578 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.833 9.607 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 934 2.664 10.868 -1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 934 4.512 11.072 -3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 934 4.848 11.651 -1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 934 5.955 9.271 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.618 10.158 -1.804 1.00 0.00 H new ATOM 586 N GLU A 935 2.613 7.245 -1.704 1.00 0.00 N ATOM 587 CA GLU A 935 1.674 6.124 -1.679 1.00 0.00 C ATOM 588 C GLU A 935 2.226 4.935 -0.890 1.00 0.00 C ATOM 589 O GLU A 935 1.912 3.785 -1.197 1.00 0.00 O ATOM 590 CB GLU A 935 1.340 5.687 -3.107 1.00 0.00 C ATOM 591 CG GLU A 935 0.690 6.779 -3.942 1.00 0.00 C ATOM 592 CD GLU A 935 0.369 6.325 -5.353 1.00 0.00 C ATOM 593 OE1 GLU A 935 0.653 5.154 -5.681 1.00 0.00 O ATOM 594 OE2 GLU A 935 -0.167 7.141 -6.131 1.00 0.00 O ATOM 0 H GLU A 935 3.086 7.381 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 935 0.769 6.466 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 935 2.255 5.360 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.673 4.826 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 935 -0.227 7.107 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 935 1.355 7.642 -3.985 1.00 0.00 H new ATOM 601 N TYR A 936 3.043 5.211 0.125 1.00 0.00 N ATOM 602 CA TYR A 936 3.627 4.154 0.952 1.00 0.00 C ATOM 603 C TYR A 936 3.764 4.602 2.403 1.00 0.00 C ATOM 604 O TYR A 936 4.241 5.703 2.678 1.00 0.00 O ATOM 605 CB TYR A 936 5.000 3.736 0.412 1.00 0.00 C ATOM 606 CG TYR A 936 4.957 3.155 -0.982 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.879 3.976 -2.100 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.980 1.783 -1.178 1.00 0.00 C ATOM 609 CE1 TYR A 936 4.826 3.445 -3.372 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.928 1.242 -2.446 1.00 0.00 C ATOM 611 CZ TYR A 936 4.851 2.076 -3.541 1.00 0.00 C ATOM 612 OH TYR A 936 4.798 1.541 -4.808 1.00 0.00 O ATOM 0 H TYR A 936 3.316 6.156 0.395 1.00 0.00 H new ATOM 0 HA TYR A 936 2.953 3.299 0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.660 4.604 0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 936 5.438 3.001 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.860 5.048 -1.971 1.00 0.00 H new ATOM 0 HD2 TYR A 936 5.040 1.126 -0.323 1.00 0.00 H new ATOM 0 HE1 TYR A 936 4.765 4.097 -4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.948 0.171 -2.580 1.00 0.00 H new ATOM 0 HH TYR A 936 4.826 0.563 -4.752 1.00 0.00 H new ATOM 622 N TYR A 937 3.353 3.738 3.333 1.00 0.00 N ATOM 623 CA TYR A 937 3.448 4.058 4.756 1.00 0.00 C ATOM 624 C TYR A 937 4.613 3.316 5.409 1.00 0.00 C ATOM 625 O TYR A 937 4.858 2.145 5.120 1.00 0.00 O ATOM 626 CB TYR A 937 2.126 3.763 5.488 1.00 0.00 C ATOM 627 CG TYR A 937 1.626 2.331 5.394 1.00 0.00 C ATOM 628 CD1 TYR A 937 2.370 1.266 5.888 1.00 0.00 C ATOM 629 CD2 TYR A 937 0.394 2.051 4.817 1.00 0.00 C ATOM 630 CE1 TYR A 937 1.903 -0.032 5.809 1.00 0.00 C ATOM 631 CE2 TYR A 937 -0.080 0.756 4.733 1.00 0.00 C ATOM 632 CZ TYR A 937 0.679 -0.282 5.229 1.00 0.00 C ATOM 633 OH TYR A 937 0.209 -1.573 5.149 1.00 0.00 O ATOM 0 H TYR A 937 2.955 2.821 3.129 1.00 0.00 H new ATOM 0 HA TYR A 937 3.640 5.128 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 937 2.251 4.017 6.541 1.00 0.00 H new ATOM 0 HB3 TYR A 937 1.356 4.424 5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 937 3.331 1.457 6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 937 -0.205 2.861 4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.495 -0.846 6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -1.041 0.558 4.281 1.00 0.00 H new ATOM 0 HH TYR A 937 -0.669 -1.575 4.713 1.00 0.00 H new ATOM 643 N GLY A 938 5.338 4.009 6.284 1.00 0.00 N ATOM 644 CA GLY A 938 6.470 3.395 6.954 1.00 0.00 C ATOM 645 C GLY A 938 7.674 4.313 7.026 1.00 0.00 C ATOM 646 O GLY A 938 7.941 5.071 6.095 1.00 0.00 O ATOM 0 H GLY A 938 5.162 4.981 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.177 3.107 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 938 6.746 2.481 6.429 1.00 0.00 H new ATOM 650 N ARG A 939 8.407 4.243 8.134 1.00 0.00 N ATOM 651 CA ARG A 939 9.592 5.070 8.319 1.00 0.00 C ATOM 652 C ARG A 939 10.742 4.574 7.441 1.00 0.00 C ATOM 653 O ARG A 939 10.648 3.510 6.829 1.00 0.00 O ATOM 654 CB ARG A 939 10.002 5.096 9.797 1.00 0.00 C ATOM 655 CG ARG A 939 10.136 3.728 10.439 1.00 0.00 C ATOM 656 CD ARG A 939 11.284 2.919 9.854 1.00 0.00 C ATOM 657 NE ARG A 939 11.391 1.595 10.464 1.00 0.00 N ATOM 658 CZ ARG A 939 11.652 1.391 11.752 1.00 0.00 C ATOM 659 NH1 ARG A 939 11.849 2.419 12.566 1.00 0.00 N ATOM 660 NH2 ARG A 939 11.718 0.154 12.227 1.00 0.00 N ATOM 0 H ARG A 939 8.200 3.622 8.916 1.00 0.00 H new ATOM 0 HA ARG A 939 9.353 6.089 8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.953 5.620 9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 939 9.265 5.674 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 939 10.289 3.847 11.512 1.00 0.00 H new ATOM 0 HG3 ARG A 939 9.205 3.177 10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 939 11.140 2.812 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 939 12.219 3.461 9.998 1.00 0.00 H new ATOM 0 HE ARG A 939 11.258 0.779 9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 939 11.801 3.372 12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 939 12.049 2.257 13.553 1.00 0.00 H new ATOM 0 HH21 ARG A 939 11.569 -0.640 11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 939 11.918 -0.003 13.215 1.00 0.00 H new ATOM 674 N PRO A 940 11.841 5.345 7.355 1.00 0.00 N ATOM 675 CA PRO A 940 12.996 4.975 6.537 1.00 0.00 C ATOM 676 C PRO A 940 13.612 3.647 6.947 1.00 0.00 C ATOM 677 O PRO A 940 14.177 3.523 8.034 1.00 0.00 O ATOM 678 CB PRO A 940 14.012 6.097 6.766 1.00 0.00 C ATOM 679 CG PRO A 940 13.509 6.881 7.933 1.00 0.00 C ATOM 680 CD PRO A 940 12.032 6.628 8.041 1.00 0.00 C ATOM 0 HA PRO A 940 12.699 4.855 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 940 15.003 5.690 6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 940 14.101 6.728 5.882 1.00 0.00 H new ATOM 0 HG2 PRO A 940 14.018 6.577 8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 940 13.707 7.944 7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 940 11.711 6.576 9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 940 11.455 7.423 7.569 1.00 0.00 H new ATOM 688 N PHE A 941 13.537 2.667 6.057 1.00 0.00 N ATOM 689 CA PHE A 941 14.126 1.365 6.316 1.00 0.00 C ATOM 690 C PHE A 941 15.557 1.363 5.809 1.00 0.00 C ATOM 691 O PHE A 941 16.118 2.425 5.531 1.00 0.00 O ATOM 692 CB PHE A 941 13.305 0.256 5.650 1.00 0.00 C ATOM 693 CG PHE A 941 13.195 0.382 4.157 1.00 0.00 C ATOM 694 CD1 PHE A 941 14.245 0.010 3.334 1.00 0.00 C ATOM 695 CD2 PHE A 941 12.030 0.857 3.577 1.00 0.00 C ATOM 696 CE1 PHE A 941 14.140 0.113 1.962 1.00 0.00 C ATOM 697 CE2 PHE A 941 11.917 0.960 2.205 1.00 0.00 C ATOM 698 CZ PHE A 941 12.973 0.588 1.395 1.00 0.00 C ATOM 0 H PHE A 941 13.075 2.751 5.152 1.00 0.00 H new ATOM 0 HA PHE A 941 14.125 1.171 7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 941 13.755 -0.707 5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 941 12.303 0.255 6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 941 15.158 -0.366 3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 941 11.201 1.150 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 941 14.968 -0.177 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 941 11.003 1.331 1.765 1.00 0.00 H new ATOM 0 HZ PHE A 941 12.886 0.668 0.321 1.00 0.00 H new ATOM 708 N SER A 942 16.149 0.186 5.672 1.00 0.00 N ATOM 709 CA SER A 942 17.519 0.104 5.187 1.00 0.00 C ATOM 710 C SER A 942 17.951 -1.328 4.914 1.00 0.00 C ATOM 711 O SER A 942 17.801 -2.213 5.757 1.00 0.00 O ATOM 712 CB SER A 942 18.476 0.739 6.198 1.00 0.00 C ATOM 713 OG SER A 942 18.406 0.082 7.451 1.00 0.00 O ATOM 0 H SER A 942 15.712 -0.711 5.885 1.00 0.00 H new ATOM 0 HA SER A 942 17.556 0.649 4.244 1.00 0.00 H new ATOM 0 HB2 SER A 942 19.496 0.692 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 942 18.230 1.794 6.323 1.00 0.00 H new ATOM 0 HG SER A 942 18.141 -0.852 7.316 1.00 0.00 H new ATOM 719 N ILE A 943 18.519 -1.533 3.732 1.00 0.00 N ATOM 720 CA ILE A 943 19.016 -2.838 3.332 1.00 0.00 C ATOM 721 C ILE A 943 20.509 -2.925 3.614 1.00 0.00 C ATOM 722 O ILE A 943 21.082 -2.011 4.208 1.00 0.00 O ATOM 723 CB ILE A 943 18.744 -3.115 1.840 1.00 0.00 C ATOM 724 CG1 ILE A 943 19.195 -1.929 0.982 1.00 0.00 C ATOM 725 CG2 ILE A 943 17.269 -3.411 1.620 1.00 0.00 C ATOM 726 CD1 ILE A 943 18.868 -2.081 -0.490 1.00 0.00 C ATOM 0 H ILE A 943 18.646 -0.804 3.030 1.00 0.00 H new ATOM 0 HA ILE A 943 18.487 -3.594 3.912 1.00 0.00 H new ATOM 0 HB ILE A 943 19.319 -3.990 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 943 18.724 -1.021 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 943 20.271 -1.800 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 943 17.091 -3.605 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 943 16.983 -4.287 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 943 16.675 -2.554 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 943 19.218 -1.203 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 943 19.361 -2.970 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 943 17.790 -2.179 -0.615 1.00 0.00 H new ATOM 738 N THR A 944 21.136 -4.020 3.204 1.00 0.00 N ATOM 739 CA THR A 944 22.563 -4.206 3.443 1.00 0.00 C ATOM 740 C THR A 944 23.138 -5.338 2.609 1.00 0.00 C ATOM 741 O THR A 944 22.546 -6.411 2.515 1.00 0.00 O ATOM 742 CB THR A 944 22.836 -4.520 4.929 1.00 0.00 C ATOM 743 OG1 THR A 944 22.645 -3.347 5.730 1.00 0.00 O ATOM 744 CG2 THR A 944 24.246 -5.059 5.127 1.00 0.00 C ATOM 0 H THR A 944 20.684 -4.788 2.708 1.00 0.00 H new ATOM 0 HA THR A 944 23.045 -3.271 3.158 1.00 0.00 H new ATOM 0 HB THR A 944 22.129 -5.287 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 944 22.131 -2.685 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 944 24.409 -5.271 6.184 1.00 0.00 H new ATOM 0 HG22 THR A 944 24.370 -5.975 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 944 24.970 -4.317 4.790 1.00 0.00 H new ATOM 752 N CYS A 945 24.314 -5.106 2.032 1.00 0.00 N ATOM 753 CA CYS A 945 24.978 -6.137 1.245 1.00 0.00 C ATOM 754 C CYS A 945 25.531 -7.189 2.177 1.00 0.00 C ATOM 755 O CYS A 945 26.220 -6.881 3.151 1.00 0.00 O ATOM 756 CB CYS A 945 26.085 -5.542 0.379 1.00 0.00 C ATOM 757 SG CYS A 945 25.491 -4.329 -0.839 1.00 0.00 S ATOM 0 H CYS A 945 24.821 -4.223 2.094 1.00 0.00 H new ATOM 0 HA CYS A 945 24.253 -6.594 0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 945 26.822 -5.064 1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 945 26.597 -6.349 -0.145 1.00 0.00 H new ATOM 762 N LEU A 946 25.169 -8.427 1.909 1.00 0.00 N ATOM 763 CA LEU A 946 25.567 -9.533 2.760 1.00 0.00 C ATOM 764 C LEU A 946 26.949 -10.082 2.468 1.00 0.00 C ATOM 765 O LEU A 946 27.813 -10.083 3.346 1.00 0.00 O ATOM 766 CB LEU A 946 24.512 -10.624 2.672 1.00 0.00 C ATOM 767 CG LEU A 946 23.147 -10.172 3.168 1.00 0.00 C ATOM 768 CD1 LEU A 946 23.311 -9.414 4.473 1.00 0.00 C ATOM 769 CD2 LEU A 946 22.455 -9.327 2.123 1.00 0.00 C ATOM 0 H LEU A 946 24.598 -8.694 1.107 1.00 0.00 H new ATOM 0 HA LEU A 946 25.635 -9.147 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 946 24.425 -10.955 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 946 24.838 -11.485 3.256 1.00 0.00 H new ATOM 0 HG LEU A 946 22.519 -11.045 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 946 22.334 -9.089 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 946 23.771 -10.065 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 946 23.946 -8.543 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 946 21.480 -9.013 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 946 23.061 -8.447 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 946 22.324 -9.910 1.212 1.00 0.00 H new ATOM 781 N ASP A 947 27.147 -10.568 1.257 1.00 0.00 N ATOM 782 CA ASP A 947 28.427 -11.155 0.877 1.00 0.00 C ATOM 783 C ASP A 947 28.334 -11.816 -0.490 1.00 0.00 C ATOM 784 O ASP A 947 29.245 -11.700 -1.310 1.00 0.00 O ATOM 785 CB ASP A 947 28.846 -12.181 1.933 1.00 0.00 C ATOM 786 CG ASP A 947 30.114 -12.927 1.568 1.00 0.00 C ATOM 787 OD1 ASP A 947 30.111 -13.646 0.545 1.00 0.00 O ATOM 788 OD2 ASP A 947 31.114 -12.792 2.304 1.00 0.00 O ATOM 0 H ASP A 947 26.443 -10.570 0.519 1.00 0.00 H new ATOM 0 HA ASP A 947 29.175 -10.365 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 947 28.992 -11.673 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 947 28.038 -12.898 2.075 1.00 0.00 H new ATOM 793 N ASN A 948 27.226 -12.499 -0.737 1.00 0.00 N ATOM 794 CA ASN A 948 27.017 -13.163 -2.014 1.00 0.00 C ATOM 795 C ASN A 948 26.409 -12.186 -3.010 1.00 0.00 C ATOM 796 O ASN A 948 25.526 -12.543 -3.790 1.00 0.00 O ATOM 797 CB ASN A 948 26.102 -14.378 -1.842 1.00 0.00 C ATOM 798 CG ASN A 948 26.663 -15.390 -0.863 1.00 0.00 C ATOM 799 OD1 ASN A 948 27.750 -15.931 -1.065 1.00 0.00 O ATOM 800 ND2 ASN A 948 25.921 -15.652 0.206 1.00 0.00 N ATOM 0 H ASN A 948 26.460 -12.608 -0.072 1.00 0.00 H new ATOM 0 HA ASN A 948 27.980 -13.507 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 948 25.123 -14.046 -1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 948 25.953 -14.857 -2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 948 26.246 -16.325 0.900 1.00 0.00 H new ATOM 0 HD22 ASN A 948 25.026 -15.180 0.334 1.00 0.00 H new ATOM 807 N LEU A 949 26.888 -10.942 -2.969 1.00 0.00 N ATOM 808 CA LEU A 949 26.391 -9.900 -3.857 1.00 0.00 C ATOM 809 C LEU A 949 24.877 -9.793 -3.757 1.00 0.00 C ATOM 810 O LEU A 949 24.173 -9.720 -4.765 1.00 0.00 O ATOM 811 CB LEU A 949 26.827 -10.181 -5.298 1.00 0.00 C ATOM 812 CG LEU A 949 28.257 -9.743 -5.638 1.00 0.00 C ATOM 813 CD1 LEU A 949 29.234 -10.185 -4.561 1.00 0.00 C ATOM 814 CD2 LEU A 949 28.678 -10.297 -6.990 1.00 0.00 C ATOM 0 H LEU A 949 27.620 -10.635 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 949 26.817 -8.945 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 949 26.736 -11.250 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 949 26.138 -9.677 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 949 28.272 -8.654 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 949 30.240 -9.861 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 949 28.950 -9.740 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 949 29.213 -11.271 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 949 29.695 -9.976 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 949 28.639 -11.386 -6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 949 28.002 -9.927 -7.761 1.00 0.00 H new ATOM 826 N VAL A 950 24.384 -9.785 -2.521 1.00 0.00 N ATOM 827 CA VAL A 950 22.956 -9.689 -2.263 1.00 0.00 C ATOM 828 C VAL A 950 22.628 -8.538 -1.329 1.00 0.00 C ATOM 829 O VAL A 950 23.513 -7.818 -0.860 1.00 0.00 O ATOM 830 CB VAL A 950 22.400 -10.979 -1.637 1.00 0.00 C ATOM 831 CG1 VAL A 950 22.215 -12.055 -2.686 1.00 0.00 C ATOM 832 CG2 VAL A 950 23.300 -11.459 -0.509 1.00 0.00 C ATOM 0 H VAL A 950 24.959 -9.844 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 950 22.491 -9.520 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 950 21.420 -10.758 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 950 21.821 -12.957 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 950 21.516 -11.706 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 950 23.175 -12.278 -3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 950 22.889 -12.373 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 950 24.298 -11.658 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 950 23.359 -10.690 0.262 1.00 0.00 H new ATOM 842 N TRP A 951 21.340 -8.395 -1.052 1.00 0.00 N ATOM 843 CA TRP A 951 20.845 -7.355 -0.169 1.00 0.00 C ATOM 844 C TRP A 951 19.703 -7.898 0.675 1.00 0.00 C ATOM 845 O TRP A 951 18.781 -8.524 0.153 1.00 0.00 O ATOM 846 CB TRP A 951 20.325 -6.153 -0.967 1.00 0.00 C ATOM 847 CG TRP A 951 21.328 -5.511 -1.878 1.00 0.00 C ATOM 848 CD1 TRP A 951 21.835 -6.021 -3.039 1.00 0.00 C ATOM 849 CD2 TRP A 951 21.934 -4.228 -1.706 1.00 0.00 C ATOM 850 NE1 TRP A 951 22.715 -5.125 -3.602 1.00 0.00 N ATOM 851 CE2 TRP A 951 22.793 -4.018 -2.799 1.00 0.00 C ATOM 852 CE3 TRP A 951 21.832 -3.235 -0.731 1.00 0.00 C ATOM 853 CZ2 TRP A 951 23.544 -2.852 -2.944 1.00 0.00 C ATOM 854 CZ3 TRP A 951 22.575 -2.080 -0.872 1.00 0.00 C ATOM 855 CH2 TRP A 951 23.421 -1.896 -1.972 1.00 0.00 C ATOM 0 H TRP A 951 20.611 -8.998 -1.434 1.00 0.00 H new ATOM 0 HA TRP A 951 21.672 -7.035 0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 951 19.470 -6.474 -1.562 1.00 0.00 H new ATOM 0 HB3 TRP A 951 19.961 -5.402 -0.266 1.00 0.00 H new ATOM 0 HD1 TRP A 951 21.583 -6.985 -3.454 1.00 0.00 H new ATOM 0 HE1 TRP A 951 23.225 -5.263 -4.474 1.00 0.00 H new ATOM 0 HE3 TRP A 951 21.182 -3.368 0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 24.198 -2.709 -3.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 22.502 -1.306 -0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 951 23.988 -0.981 -2.056 1.00 0.00 H new ATOM 866 N SER A 952 19.776 -7.650 1.977 1.00 0.00 N ATOM 867 CA SER A 952 18.745 -8.106 2.904 1.00 0.00 C ATOM 868 C SER A 952 17.362 -7.918 2.291 1.00 0.00 C ATOM 869 O SER A 952 17.118 -6.945 1.577 1.00 0.00 O ATOM 870 CB SER A 952 18.842 -7.341 4.225 1.00 0.00 C ATOM 871 OG SER A 952 18.667 -5.950 4.023 1.00 0.00 O ATOM 0 H SER A 952 20.539 -7.135 2.416 1.00 0.00 H new ATOM 0 HA SER A 952 18.901 -9.167 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 952 18.086 -7.709 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 952 19.813 -7.525 4.685 1.00 0.00 H new ATOM 0 HG SER A 952 18.888 -5.469 4.848 1.00 0.00 H new ATOM 877 N SER A 953 16.466 -8.860 2.556 1.00 0.00 N ATOM 878 CA SER A 953 15.120 -8.797 2.004 1.00 0.00 C ATOM 879 C SER A 953 14.246 -7.816 2.782 1.00 0.00 C ATOM 880 O SER A 953 13.944 -8.033 3.957 1.00 0.00 O ATOM 881 CB SER A 953 14.486 -10.186 2.019 1.00 0.00 C ATOM 882 OG SER A 953 13.148 -10.143 1.551 1.00 0.00 O ATOM 0 H SER A 953 16.646 -9.672 3.146 1.00 0.00 H new ATOM 0 HA SER A 953 15.192 -8.442 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 953 15.071 -10.862 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 953 14.507 -10.588 3.032 1.00 0.00 H new ATOM 0 HG SER A 953 12.766 -11.045 1.569 1.00 0.00 H new ATOM 888 N PRO A 954 13.827 -6.720 2.125 1.00 0.00 N ATOM 889 CA PRO A 954 12.982 -5.692 2.729 1.00 0.00 C ATOM 890 C PRO A 954 11.517 -6.118 2.788 1.00 0.00 C ATOM 891 O PRO A 954 10.643 -5.448 2.237 1.00 0.00 O ATOM 892 CB PRO A 954 13.153 -4.479 1.795 1.00 0.00 C ATOM 893 CG PRO A 954 14.156 -4.890 0.761 1.00 0.00 C ATOM 894 CD PRO A 954 14.142 -6.389 0.732 1.00 0.00 C ATOM 0 HA PRO A 954 13.266 -5.487 3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 954 12.205 -4.207 1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 954 13.499 -3.606 2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 954 13.898 -4.480 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 954 15.148 -4.515 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 954 13.393 -6.776 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 954 15.103 -6.800 0.423 1.00 0.00 H new ATOM 902 N LYS A 955 11.260 -7.245 3.444 1.00 0.00 N ATOM 903 CA LYS A 955 9.903 -7.771 3.560 1.00 0.00 C ATOM 904 C LYS A 955 9.117 -7.021 4.634 1.00 0.00 C ATOM 905 O LYS A 955 9.561 -6.905 5.777 1.00 0.00 O ATOM 906 CB LYS A 955 9.957 -9.270 3.881 1.00 0.00 C ATOM 907 CG LYS A 955 8.624 -9.997 3.738 1.00 0.00 C ATOM 908 CD LYS A 955 7.654 -9.644 4.854 1.00 0.00 C ATOM 909 CE LYS A 955 6.337 -10.389 4.704 1.00 0.00 C ATOM 910 NZ LYS A 955 6.526 -11.865 4.750 1.00 0.00 N ATOM 0 H LYS A 955 11.973 -7.812 3.903 1.00 0.00 H new ATOM 0 HA LYS A 955 9.389 -7.627 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 955 10.687 -9.743 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 955 10.318 -9.397 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 955 8.176 -9.745 2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 955 8.797 -11.073 3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 955 8.103 -9.886 5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 955 7.468 -8.570 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 955 5.656 -10.085 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 955 5.869 -10.112 3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 5.607 -12.328 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 6.935 -12.191 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 7.168 -12.109 5.531 1.00 0.00 H new ATOM 924 N ASP A 956 7.943 -6.523 4.252 1.00 0.00 N ATOM 925 CA ASP A 956 7.073 -5.787 5.167 1.00 0.00 C ATOM 926 C ASP A 956 7.821 -4.639 5.838 1.00 0.00 C ATOM 927 O ASP A 956 7.662 -4.392 7.034 1.00 0.00 O ATOM 928 CB ASP A 956 6.492 -6.731 6.223 1.00 0.00 C ATOM 929 CG ASP A 956 5.471 -6.051 7.114 1.00 0.00 C ATOM 930 OD1 ASP A 956 4.450 -5.565 6.584 1.00 0.00 O ATOM 931 OD2 ASP A 956 5.692 -6.004 8.343 1.00 0.00 O ATOM 0 H ASP A 956 7.570 -6.617 3.307 1.00 0.00 H new ATOM 0 HA ASP A 956 6.256 -5.361 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 956 6.026 -7.582 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 956 7.301 -7.124 6.838 1.00 0.00 H new ATOM 936 N VAL A 957 8.635 -3.937 5.059 1.00 0.00 N ATOM 937 CA VAL A 957 9.403 -2.813 5.579 1.00 0.00 C ATOM 938 C VAL A 957 8.623 -1.511 5.474 1.00 0.00 C ATOM 939 O VAL A 957 8.651 -0.683 6.384 1.00 0.00 O ATOM 940 CB VAL A 957 10.752 -2.656 4.853 1.00 0.00 C ATOM 941 CG1 VAL A 957 11.681 -3.808 5.203 1.00 0.00 C ATOM 942 CG2 VAL A 957 10.548 -2.556 3.350 1.00 0.00 C ATOM 0 H VAL A 957 8.780 -4.126 4.067 1.00 0.00 H new ATOM 0 HA VAL A 957 9.595 -3.031 6.630 1.00 0.00 H new ATOM 0 HB VAL A 957 11.218 -1.729 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 957 12.630 -3.682 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 957 11.857 -3.820 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 957 11.223 -4.750 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 957 11.514 -2.446 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 957 10.058 -3.460 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 957 9.925 -1.691 3.124 1.00 0.00 H new ATOM 952 N CYS A 958 7.937 -1.332 4.355 1.00 0.00 N ATOM 953 CA CYS A 958 7.157 -0.122 4.128 1.00 0.00 C ATOM 954 C CYS A 958 6.058 -0.351 3.091 1.00 0.00 C ATOM 955 O CYS A 958 6.114 0.189 1.986 1.00 0.00 O ATOM 956 CB CYS A 958 8.072 1.016 3.675 1.00 0.00 C ATOM 957 SG CYS A 958 7.278 2.652 3.707 1.00 0.00 S ATOM 0 H CYS A 958 7.904 -2.007 3.591 1.00 0.00 H new ATOM 0 HA CYS A 958 6.680 0.149 5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 958 8.954 1.038 4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 958 8.418 0.810 2.662 1.00 0.00 H new ATOM 962 N LYS A 959 5.059 -1.151 3.456 1.00 0.00 N ATOM 963 CA LYS A 959 3.947 -1.447 2.558 1.00 0.00 C ATOM 964 C LYS A 959 3.265 -0.161 2.098 1.00 0.00 C ATOM 965 O LYS A 959 3.171 0.806 2.854 1.00 0.00 O ATOM 966 CB LYS A 959 2.936 -2.367 3.245 1.00 0.00 C ATOM 967 CG LYS A 959 3.504 -3.734 3.595 1.00 0.00 C ATOM 968 CD LYS A 959 3.936 -4.494 2.350 1.00 0.00 C ATOM 969 CE LYS A 959 4.557 -5.837 2.702 1.00 0.00 C ATOM 970 NZ LYS A 959 3.614 -6.706 3.458 1.00 0.00 N ATOM 0 H LYS A 959 4.997 -1.605 4.367 1.00 0.00 H new ATOM 0 HA LYS A 959 4.345 -1.957 1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 959 2.579 -1.886 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 959 2.072 -2.497 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 959 4.356 -3.615 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 959 2.755 -4.313 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 959 3.074 -4.650 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 959 4.654 -3.896 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 959 4.865 -6.345 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 959 5.457 -5.676 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 4.001 -7.670 3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 3.485 -6.326 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 2.696 -6.730 2.969 1.00 0.00 H new ATOM 984 N ARG A 960 2.804 -0.153 0.851 1.00 0.00 N ATOM 985 CA ARG A 960 2.149 1.020 0.281 1.00 0.00 C ATOM 986 C ARG A 960 0.969 1.481 1.126 1.00 0.00 C ATOM 987 O ARG A 960 0.280 0.675 1.751 1.00 0.00 O ATOM 988 CB ARG A 960 1.676 0.747 -1.147 1.00 0.00 C ATOM 989 CG ARG A 960 0.636 -0.354 -1.251 1.00 0.00 C ATOM 990 CD ARG A 960 -0.058 -0.323 -2.603 1.00 0.00 C ATOM 991 NE ARG A 960 -0.937 -1.473 -2.801 1.00 0.00 N ATOM 992 CZ ARG A 960 -0.512 -2.734 -2.830 1.00 0.00 C ATOM 993 NH1 ARG A 960 0.776 -3.010 -2.677 1.00 0.00 N ATOM 994 NH2 ARG A 960 -1.378 -3.721 -3.017 1.00 0.00 N ATOM 0 H ARG A 960 2.872 -0.947 0.215 1.00 0.00 H new ATOM 0 HA ARG A 960 2.893 1.816 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 960 1.262 1.665 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 960 2.537 0.479 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 960 1.112 -1.324 -1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 960 -0.102 -0.238 -0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -0.639 0.595 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 960 0.692 -0.301 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 960 -1.935 -1.299 -2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 960 1.446 -2.254 -2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 960 1.096 -3.978 -2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 960 -2.369 -3.514 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 960 -1.053 -4.687 -3.039 1.00 0.00 H new ATOM 1008 N LYS A 961 0.751 2.793 1.127 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.332 3.409 1.873 1.00 0.00 C ATOM 1010 C LYS A 961 -1.652 2.683 1.646 1.00 0.00 C ATOM 1011 O LYS A 961 -1.843 2.022 0.626 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.466 4.865 1.445 1.00 0.00 C ATOM 1013 CG LYS A 961 -1.373 5.681 2.342 1.00 0.00 C ATOM 1014 CD LYS A 961 -0.876 5.675 3.777 1.00 0.00 C ATOM 1015 CE LYS A 961 -1.643 6.665 4.625 1.00 0.00 C ATOM 1016 NZ LYS A 961 -3.093 6.332 4.699 1.00 0.00 N ATOM 0 H LYS A 961 1.325 3.457 0.607 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.097 3.347 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.523 5.323 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -0.850 4.901 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -1.424 6.707 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -2.385 5.278 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 961 -0.981 4.675 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 961 0.186 5.920 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 961 -1.223 6.682 5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 961 -1.522 7.666 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 -3.651 7.122 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 -3.281 5.473 4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 -3.361 6.168 5.690 1.00 0.00 H new ATOM 1030 N SER A 962 -2.562 2.814 2.606 1.00 0.00 N ATOM 1031 CA SER A 962 -3.869 2.178 2.517 1.00 0.00 C ATOM 1032 C SER A 962 -4.939 3.069 3.138 1.00 0.00 C ATOM 1033 O SER A 962 -4.711 3.704 4.167 1.00 0.00 O ATOM 1034 CB SER A 962 -3.851 0.817 3.216 1.00 0.00 C ATOM 1035 OG SER A 962 -5.118 0.188 3.145 1.00 0.00 O ATOM 0 H SER A 962 -2.416 3.357 3.457 1.00 0.00 H new ATOM 0 HA SER A 962 -4.105 2.028 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 962 -3.098 0.178 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 962 -3.564 0.945 4.260 1.00 0.00 H new ATOM 0 HG SER A 962 -5.546 0.410 2.292 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.102 3.122 2.496 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.205 3.949 2.975 1.00 0.00 C ATOM 1043 C CYS A 963 -7.980 3.249 4.086 1.00 0.00 C ATOM 1044 O CYS A 963 -9.202 3.367 4.170 1.00 0.00 O ATOM 1045 CB CYS A 963 -8.146 4.283 1.817 1.00 0.00 C ATOM 1046 SG CYS A 963 -7.328 5.073 0.393 1.00 0.00 S ATOM 0 H CYS A 963 -6.305 2.602 1.642 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.786 4.869 3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.630 3.366 1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -8.933 4.943 2.182 1.00 0.00 H new ATOM 1051 N LYS A 964 -7.256 2.535 4.942 1.00 0.00 N ATOM 1052 CA LYS A 964 -7.858 1.815 6.060 1.00 0.00 C ATOM 1053 C LYS A 964 -8.875 0.786 5.567 1.00 0.00 C ATOM 1054 O LYS A 964 -9.684 1.070 4.685 1.00 0.00 O ATOM 1055 CB LYS A 964 -8.521 2.804 7.018 1.00 0.00 C ATOM 1056 CG LYS A 964 -9.220 2.147 8.199 1.00 0.00 C ATOM 1057 CD LYS A 964 -8.244 1.356 9.056 1.00 0.00 C ATOM 1058 CE LYS A 964 -8.928 0.761 10.276 1.00 0.00 C ATOM 1059 NZ LYS A 964 -10.049 -0.145 9.899 1.00 0.00 N ATOM 0 H LYS A 964 -6.242 2.439 4.882 1.00 0.00 H new ATOM 0 HA LYS A 964 -7.070 1.279 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -7.764 3.493 7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -9.247 3.399 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -9.703 2.911 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -10.006 1.485 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -7.800 0.558 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -7.429 2.006 9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -8.198 0.208 10.868 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -9.307 1.565 10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -10.378 -0.659 10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -10.832 0.416 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -9.720 -0.826 9.185 1.00 0.00 H new ATOM 1073 N THR A 965 -8.830 -0.415 6.137 1.00 0.00 N ATOM 1074 CA THR A 965 -9.752 -1.470 5.737 1.00 0.00 C ATOM 1075 C THR A 965 -11.198 -1.001 5.885 1.00 0.00 C ATOM 1076 O THR A 965 -11.590 -0.501 6.939 1.00 0.00 O ATOM 1077 CB THR A 965 -9.551 -2.753 6.567 1.00 0.00 C ATOM 1078 OG1 THR A 965 -8.158 -3.080 6.634 1.00 0.00 O ATOM 1079 CG2 THR A 965 -10.313 -3.917 5.947 1.00 0.00 C ATOM 0 H THR A 965 -8.172 -0.679 6.870 1.00 0.00 H new ATOM 0 HA THR A 965 -9.541 -1.698 4.692 1.00 0.00 H new ATOM 0 HB THR A 965 -9.933 -2.574 7.572 1.00 0.00 H new ATOM 0 HG1 THR A 965 -8.039 -3.895 7.164 1.00 0.00 H new ATOM 0 HG21 THR A 965 -10.159 -4.814 6.547 1.00 0.00 H new ATOM 0 HG22 THR A 965 -11.376 -3.680 5.915 1.00 0.00 H new ATOM 0 HG23 THR A 965 -9.950 -4.091 4.934 1.00 0.00 H new ATOM 1087 N PRO A 966 -12.009 -1.148 4.823 1.00 0.00 N ATOM 1088 CA PRO A 966 -13.414 -0.726 4.840 1.00 0.00 C ATOM 1089 C PRO A 966 -14.263 -1.549 5.805 1.00 0.00 C ATOM 1090 O PRO A 966 -14.277 -2.777 5.738 1.00 0.00 O ATOM 1091 CB PRO A 966 -13.874 -0.960 3.399 1.00 0.00 C ATOM 1092 CG PRO A 966 -12.944 -1.995 2.868 1.00 0.00 C ATOM 1093 CD PRO A 966 -11.622 -1.728 3.525 1.00 0.00 C ATOM 0 HA PRO A 966 -13.520 0.305 5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -14.908 -1.302 3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -13.822 -0.043 2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -13.301 -2.998 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -12.863 -1.929 1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -11.041 -2.642 3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -11.013 -1.039 2.940 1.00 0.00 H new ATOM 1101 N PRO A 967 -14.994 -0.877 6.713 1.00 0.00 N ATOM 1102 CA PRO A 967 -15.857 -1.553 7.685 1.00 0.00 C ATOM 1103 C PRO A 967 -17.031 -2.244 7.004 1.00 0.00 C ATOM 1104 O PRO A 967 -17.698 -1.653 6.154 1.00 0.00 O ATOM 1105 CB PRO A 967 -16.357 -0.419 8.593 1.00 0.00 C ATOM 1106 CG PRO A 967 -15.484 0.753 8.288 1.00 0.00 C ATOM 1107 CD PRO A 967 -15.047 0.584 6.862 1.00 0.00 C ATOM 0 HA PRO A 967 -15.326 -2.334 8.229 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -17.404 -0.190 8.394 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -16.286 -0.698 9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -16.027 1.689 8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -14.625 0.784 8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -15.753 1.037 6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -14.077 1.046 6.678 1.00 0.00 H new ATOM 1115 N ASP A 968 -17.280 -3.495 7.374 1.00 0.00 N ATOM 1116 CA ASP A 968 -18.375 -4.256 6.785 1.00 0.00 C ATOM 1117 C ASP A 968 -19.710 -3.549 7.012 1.00 0.00 C ATOM 1118 O ASP A 968 -20.170 -3.422 8.147 1.00 0.00 O ATOM 1119 CB ASP A 968 -18.420 -5.666 7.378 1.00 0.00 C ATOM 1120 CG ASP A 968 -19.506 -6.525 6.759 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -20.695 -6.166 6.886 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -19.167 -7.560 6.146 1.00 0.00 O ATOM 0 H ASP A 968 -16.741 -4.002 8.076 1.00 0.00 H new ATOM 0 HA ASP A 968 -18.201 -4.328 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -17.453 -6.148 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -18.584 -5.599 8.453 1.00 0.00 H new ATOM 1127 N PRO A 969 -20.354 -3.081 5.927 1.00 0.00 N ATOM 1128 CA PRO A 969 -21.643 -2.390 6.009 1.00 0.00 C ATOM 1129 C PRO A 969 -22.793 -3.348 6.270 1.00 0.00 C ATOM 1130 O PRO A 969 -22.799 -4.476 5.776 1.00 0.00 O ATOM 1131 CB PRO A 969 -21.782 -1.746 4.630 1.00 0.00 C ATOM 1132 CG PRO A 969 -21.020 -2.646 3.720 1.00 0.00 C ATOM 1133 CD PRO A 969 -19.878 -3.194 4.533 1.00 0.00 C ATOM 0 HA PRO A 969 -21.677 -1.677 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -22.827 -1.671 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -21.375 -0.735 4.621 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -21.654 -3.450 3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -20.653 -2.101 2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -19.658 -4.228 4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -18.963 -2.623 4.375 1.00 0.00 H new ATOM 1141 N VAL A 970 -23.766 -2.891 7.049 1.00 0.00 N ATOM 1142 CA VAL A 970 -24.922 -3.698 7.378 1.00 0.00 C ATOM 1143 C VAL A 970 -25.548 -4.287 6.120 1.00 0.00 C ATOM 1144 O VAL A 970 -25.813 -3.571 5.154 1.00 0.00 O ATOM 1145 CB VAL A 970 -25.967 -2.854 8.121 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -27.080 -3.736 8.636 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -25.319 -2.077 9.256 1.00 0.00 C ATOM 0 H VAL A 970 -23.772 -1.959 7.464 1.00 0.00 H new ATOM 0 HA VAL A 970 -24.591 -4.513 8.021 1.00 0.00 H new ATOM 0 HB VAL A 970 -26.395 -2.134 7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -27.815 -3.126 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -27.560 -4.242 7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -26.669 -4.478 9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -26.076 -1.485 9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -24.863 -2.773 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -24.553 -1.415 8.853 1.00 0.00 H new ATOM 1157 N ASN A 971 -25.770 -5.598 6.132 1.00 0.00 N ATOM 1158 CA ASN A 971 -26.352 -6.288 4.987 1.00 0.00 C ATOM 1159 C ASN A 971 -25.542 -6.005 3.725 1.00 0.00 C ATOM 1160 O ASN A 971 -26.102 -5.723 2.667 1.00 0.00 O ATOM 1161 CB ASN A 971 -27.803 -5.851 4.775 1.00 0.00 C ATOM 1162 CG ASN A 971 -28.663 -6.072 6.003 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -29.260 -4.997 6.505 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -28.793 -7.194 6.493 1.00 0.00 N flip ATOM 0 H ASN A 971 -25.555 -6.204 6.924 1.00 0.00 H new ATOM 0 HA ASN A 971 -26.331 -7.358 5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -27.825 -4.795 4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -28.226 -6.403 3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -28.315 -7.992 6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -29.378 -7.326 7.318 1.00 0.00 H new ATOM 1171 N GLY A 972 -24.219 -6.076 3.844 1.00 0.00 N ATOM 1172 CA GLY A 972 -23.360 -5.814 2.704 1.00 0.00 C ATOM 1173 C GLY A 972 -21.906 -6.154 2.969 1.00 0.00 C ATOM 1174 O GLY A 972 -21.428 -6.038 4.097 1.00 0.00 O ATOM 0 H GLY A 972 -23.728 -6.310 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -23.713 -6.392 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -23.438 -4.762 2.431 1.00 0.00 H new ATOM 1178 N MET A 973 -21.206 -6.579 1.922 1.00 0.00 N ATOM 1179 CA MET A 973 -19.798 -6.942 2.032 1.00 0.00 C ATOM 1180 C MET A 973 -19.006 -6.373 0.863 1.00 0.00 C ATOM 1181 O MET A 973 -19.456 -6.416 -0.283 1.00 0.00 O ATOM 1182 CB MET A 973 -19.648 -8.461 2.069 1.00 0.00 C ATOM 1183 CG MET A 973 -20.467 -9.117 3.165 1.00 0.00 C ATOM 1184 SD MET A 973 -20.351 -10.912 3.146 1.00 0.00 S ATOM 1185 CE MET A 973 -21.504 -11.316 4.451 1.00 0.00 C ATOM 0 H MET A 973 -21.593 -6.681 0.984 1.00 0.00 H new ATOM 0 HA MET A 973 -19.406 -6.521 2.958 1.00 0.00 H new ATOM 0 HB2 MET A 973 -19.947 -8.873 1.105 1.00 0.00 H new ATOM 0 HB3 MET A 973 -18.597 -8.712 2.210 1.00 0.00 H new ATOM 0 HG2 MET A 973 -20.131 -8.746 4.134 1.00 0.00 H new ATOM 0 HG3 MET A 973 -21.511 -8.824 3.056 1.00 0.00 H new ATOM 0 HE1 MET A 973 -22.011 -12.251 4.212 1.00 0.00 H new ATOM 0 HE2 MET A 973 -20.965 -11.426 5.392 1.00 0.00 H new ATOM 0 HE3 MET A 973 -22.240 -10.518 4.546 1.00 0.00 H new ATOM 1195 N VAL A 974 -17.832 -5.830 1.158 1.00 0.00 N ATOM 1196 CA VAL A 974 -16.989 -5.243 0.122 1.00 0.00 C ATOM 1197 C VAL A 974 -15.900 -6.206 -0.339 1.00 0.00 C ATOM 1198 O VAL A 974 -15.130 -6.724 0.471 1.00 0.00 O ATOM 1199 CB VAL A 974 -16.318 -3.937 0.599 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -15.421 -4.189 1.801 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -15.519 -3.313 -0.533 1.00 0.00 C ATOM 0 H VAL A 974 -17.443 -5.783 2.100 1.00 0.00 H new ATOM 0 HA VAL A 974 -17.654 -5.024 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 974 -17.103 -3.244 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -14.962 -3.252 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -16.015 -4.594 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -14.642 -4.902 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -15.051 -2.393 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -14.748 -4.010 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -16.184 -3.088 -1.367 1.00 0.00 H new ATOM 1211 N HIS A 975 -15.819 -6.418 -1.647 1.00 0.00 N ATOM 1212 CA HIS A 975 -14.798 -7.287 -2.205 1.00 0.00 C ATOM 1213 C HIS A 975 -13.531 -6.481 -2.442 1.00 0.00 C ATOM 1214 O HIS A 975 -13.515 -5.573 -3.277 1.00 0.00 O ATOM 1215 CB HIS A 975 -15.250 -7.907 -3.528 1.00 0.00 C ATOM 1216 CG HIS A 975 -16.636 -8.465 -3.505 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -17.093 -9.321 -2.526 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -17.664 -8.293 -4.365 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -18.347 -9.652 -2.786 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -18.717 -9.039 -3.896 1.00 0.00 N ATOM 0 H HIS A 975 -16.446 -6.001 -2.335 1.00 0.00 H new ATOM 0 HA HIS A 975 -14.614 -8.093 -1.495 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -15.189 -7.150 -4.310 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -14.555 -8.702 -3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -17.658 -7.682 -5.256 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -18.963 -10.311 -2.192 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -19.636 -9.109 -4.334 1.00 0.00 H new ATOM 1229 N VAL A 976 -12.474 -6.811 -1.718 1.00 0.00 N ATOM 1230 CA VAL A 976 -11.215 -6.117 -1.866 1.00 0.00 C ATOM 1231 C VAL A 976 -10.665 -6.320 -3.270 1.00 0.00 C ATOM 1232 O VAL A 976 -9.946 -5.471 -3.799 1.00 0.00 O ATOM 1233 CB VAL A 976 -10.200 -6.594 -0.824 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -10.654 -6.203 0.578 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -10.008 -8.089 -0.937 1.00 0.00 C ATOM 0 H VAL A 976 -12.468 -7.557 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 976 -11.391 -5.053 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 976 -9.242 -6.110 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -9.922 -6.549 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -10.745 -5.119 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -11.620 -6.661 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -9.284 -8.420 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -10.960 -8.592 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -9.641 -8.334 -1.934 1.00 0.00 H new ATOM 1245 N ILE A 977 -11.030 -7.458 -3.862 1.00 0.00 N ATOM 1246 CA ILE A 977 -10.608 -7.825 -5.212 1.00 0.00 C ATOM 1247 C ILE A 977 -9.136 -8.228 -5.238 1.00 0.00 C ATOM 1248 O ILE A 977 -8.764 -9.224 -5.859 1.00 0.00 O ATOM 1249 CB ILE A 977 -10.856 -6.689 -6.215 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -12.289 -6.179 -6.066 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -10.609 -7.182 -7.634 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -12.705 -5.226 -7.157 1.00 0.00 C ATOM 0 H ILE A 977 -11.629 -8.153 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 977 -11.213 -8.681 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 977 -10.167 -5.869 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -12.970 -7.030 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -12.391 -5.681 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -10.788 -6.369 -8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -9.578 -7.522 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -11.285 -8.008 -7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -13.733 -4.905 -6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -12.047 -4.357 -7.151 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -12.636 -5.726 -8.123 1.00 0.00 H new ATOM 1264 N THR A 978 -8.313 -7.455 -4.543 1.00 0.00 N ATOM 1265 CA THR A 978 -6.885 -7.718 -4.451 1.00 0.00 C ATOM 1266 C THR A 978 -6.377 -7.301 -3.078 1.00 0.00 C ATOM 1267 O THR A 978 -5.742 -8.083 -2.370 1.00 0.00 O ATOM 1268 CB THR A 978 -6.097 -6.962 -5.539 1.00 0.00 C ATOM 1269 OG1 THR A 978 -6.315 -5.553 -5.414 1.00 0.00 O ATOM 1270 CG2 THR A 978 -6.519 -7.422 -6.926 1.00 0.00 C ATOM 0 H THR A 978 -8.617 -6.629 -4.028 1.00 0.00 H new ATOM 0 HA THR A 978 -6.731 -8.786 -4.601 1.00 0.00 H new ATOM 0 HB THR A 978 -5.037 -7.178 -5.405 1.00 0.00 H new ATOM 0 HG1 THR A 978 -5.736 -5.194 -4.709 1.00 0.00 H new ATOM 0 HG21 THR A 978 -5.951 -6.876 -7.679 1.00 0.00 H new ATOM 0 HG22 THR A 978 -6.326 -8.490 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 978 -7.583 -7.230 -7.065 1.00 0.00 H new ATOM 1278 N ASP A 979 -6.689 -6.065 -2.701 1.00 0.00 N ATOM 1279 CA ASP A 979 -6.300 -5.529 -1.404 1.00 0.00 C ATOM 1280 C ASP A 979 -7.175 -4.327 -1.047 1.00 0.00 C ATOM 1281 O ASP A 979 -8.362 -4.303 -1.366 1.00 0.00 O ATOM 1282 CB ASP A 979 -4.820 -5.142 -1.405 1.00 0.00 C ATOM 1283 CG ASP A 979 -4.465 -4.201 -2.536 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -4.558 -4.621 -3.708 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -4.094 -3.043 -2.252 1.00 0.00 O ATOM 0 H ASP A 979 -7.215 -5.412 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 979 -6.447 -6.300 -0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -4.571 -4.671 -0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -4.213 -6.044 -1.483 1.00 0.00 H new ATOM 1290 N ILE A 980 -6.586 -3.331 -0.393 1.00 0.00 N ATOM 1291 CA ILE A 980 -7.322 -2.132 -0.005 1.00 0.00 C ATOM 1292 C ILE A 980 -6.404 -0.920 0.056 1.00 0.00 C ATOM 1293 O ILE A 980 -6.817 0.166 0.462 1.00 0.00 O ATOM 1294 CB ILE A 980 -8.014 -2.309 1.358 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -7.064 -2.983 2.352 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -9.300 -3.106 1.206 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -7.689 -3.256 3.702 1.00 0.00 C ATOM 0 H ILE A 980 -5.603 -3.330 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.083 -1.970 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 980 -8.274 -1.325 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -6.715 -3.924 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -6.187 -2.350 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -9.774 -3.220 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -9.977 -2.580 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -9.072 -4.090 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -6.956 -3.734 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -8.013 -2.316 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -8.549 -3.914 3.578 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.159 -1.111 -0.364 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.184 -0.031 -0.371 1.00 0.00 C ATOM 1311 C GLN A 981 -4.435 0.910 -1.542 1.00 0.00 C ATOM 1312 O GLN A 981 -5.331 0.681 -2.355 1.00 0.00 O ATOM 1313 CB GLN A 981 -2.761 -0.591 -0.446 1.00 0.00 C ATOM 1314 CG GLN A 981 -2.302 -1.278 0.832 1.00 0.00 C ATOM 1315 CD GLN A 981 -3.144 -2.484 1.190 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -3.214 -3.452 0.434 1.00 0.00 O ATOM 1317 NE2 GLN A 981 -3.791 -2.432 2.349 1.00 0.00 N ATOM 0 H GLN A 981 -4.802 -2.004 -0.704 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.292 0.529 0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -2.704 -1.302 -1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.073 0.222 -0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -1.263 -1.588 0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -2.333 -0.563 1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -3.704 -1.609 2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -4.375 -3.215 2.643 1.00 0.00 H new ATOM 1326 N VAL A 982 -3.639 1.970 -1.622 1.00 0.00 N ATOM 1327 CA VAL A 982 -3.771 2.950 -2.691 1.00 0.00 C ATOM 1328 C VAL A 982 -3.681 2.287 -4.063 1.00 0.00 C ATOM 1329 O VAL A 982 -2.784 1.483 -4.319 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.684 4.041 -2.575 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.631 4.896 -3.831 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -2.925 4.902 -1.345 1.00 0.00 C ATOM 0 H VAL A 982 -2.893 2.172 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 982 -4.753 3.411 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 982 -1.718 3.548 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.857 5.656 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -2.402 4.266 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -3.596 5.380 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.150 5.666 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -3.901 5.381 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -2.897 4.277 -0.452 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.615 2.637 -4.944 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.624 2.075 -6.282 1.00 0.00 C ATOM 1344 C GLY A 983 -5.732 1.060 -6.499 1.00 0.00 C ATOM 1345 O GLY A 983 -6.423 1.100 -7.517 1.00 0.00 O ATOM 0 H GLY A 983 -5.366 3.301 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -4.733 2.882 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -3.662 1.600 -6.476 1.00 0.00 H new ATOM 1349 N SER A 984 -5.899 0.140 -5.551 1.00 0.00 N ATOM 1350 CA SER A 984 -6.926 -0.890 -5.664 1.00 0.00 C ATOM 1351 C SER A 984 -8.314 -0.336 -5.367 1.00 0.00 C ATOM 1352 O SER A 984 -8.513 0.390 -4.389 1.00 0.00 O ATOM 1353 CB SER A 984 -6.614 -2.050 -4.719 1.00 0.00 C ATOM 1354 OG SER A 984 -5.360 -2.631 -5.028 1.00 0.00 O ATOM 0 H SER A 984 -5.339 0.088 -4.700 1.00 0.00 H new ATOM 0 HA SER A 984 -6.923 -1.249 -6.693 1.00 0.00 H new ATOM 0 HB2 SER A 984 -6.610 -1.694 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.397 -2.805 -4.793 1.00 0.00 H new ATOM 0 HG SER A 984 -5.296 -3.514 -4.608 1.00 0.00 H new ATOM 1360 N ARG A 985 -9.275 -0.690 -6.216 1.00 0.00 N ATOM 1361 CA ARG A 985 -10.652 -0.245 -6.050 1.00 0.00 C ATOM 1362 C ARG A 985 -11.511 -1.384 -5.504 1.00 0.00 C ATOM 1363 O ARG A 985 -11.564 -2.467 -6.087 1.00 0.00 O ATOM 1364 CB ARG A 985 -11.208 0.254 -7.386 1.00 0.00 C ATOM 1365 CG ARG A 985 -12.566 0.927 -7.278 1.00 0.00 C ATOM 1366 CD ARG A 985 -13.011 1.495 -8.617 1.00 0.00 C ATOM 1367 NE ARG A 985 -14.274 2.219 -8.517 1.00 0.00 N ATOM 1368 CZ ARG A 985 -14.871 2.808 -9.549 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -14.319 2.761 -10.755 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -16.021 3.446 -9.376 1.00 0.00 N ATOM 0 H ARG A 985 -9.122 -1.287 -7.029 1.00 0.00 H new ATOM 0 HA ARG A 985 -10.674 0.578 -5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -10.499 0.957 -7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -11.285 -0.589 -8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -13.303 0.207 -6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -12.520 1.727 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -12.240 2.164 -9.000 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -13.116 0.683 -9.337 1.00 0.00 H new ATOM 0 HE ARG A 985 -14.724 2.277 -7.604 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -13.434 2.272 -10.892 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -14.779 3.214 -11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -16.448 3.485 -8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -16.478 3.897 -10.168 1.00 0.00 H new ATOM 1384 N ILE A 986 -12.174 -1.137 -4.378 1.00 0.00 N ATOM 1385 CA ILE A 986 -13.021 -2.147 -3.746 1.00 0.00 C ATOM 1386 C ILE A 986 -14.487 -1.965 -4.125 1.00 0.00 C ATOM 1387 O ILE A 986 -15.004 -0.847 -4.133 1.00 0.00 O ATOM 1388 CB ILE A 986 -12.892 -2.095 -2.214 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -13.303 -0.714 -1.697 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -11.469 -2.432 -1.793 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -13.259 -0.590 -0.190 1.00 0.00 C ATOM 0 H ILE A 986 -12.142 -0.246 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 986 -12.679 -3.117 -4.108 1.00 0.00 H new ATOM 0 HB ILE A 986 -13.560 -2.837 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -12.646 0.038 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -14.313 -0.493 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -11.392 -2.391 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -11.215 -3.434 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -10.779 -1.712 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -13.563 0.415 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -13.938 -1.318 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -12.244 -0.778 0.161 1.00 0.00 H new ATOM 1403 N THR A 987 -15.156 -3.073 -4.431 1.00 0.00 N ATOM 1404 CA THR A 987 -16.567 -3.031 -4.800 1.00 0.00 C ATOM 1405 C THR A 987 -17.457 -3.504 -3.662 1.00 0.00 C ATOM 1406 O THR A 987 -17.167 -4.501 -3.007 1.00 0.00 O ATOM 1407 CB THR A 987 -16.861 -3.872 -6.052 1.00 0.00 C ATOM 1408 OG1 THR A 987 -16.123 -5.098 -6.013 1.00 0.00 O ATOM 1409 CG2 THR A 987 -16.518 -3.090 -7.307 1.00 0.00 C ATOM 0 H THR A 987 -14.746 -4.007 -4.431 1.00 0.00 H new ATOM 0 HA THR A 987 -16.791 -1.987 -5.020 1.00 0.00 H new ATOM 0 HB THR A 987 -17.925 -4.107 -6.069 1.00 0.00 H new ATOM 0 HG1 THR A 987 -16.321 -5.625 -6.815 1.00 0.00 H new ATOM 0 HG21 THR A 987 -16.732 -3.699 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 987 -17.116 -2.179 -7.343 1.00 0.00 H new ATOM 0 HG23 THR A 987 -15.460 -2.829 -7.295 1.00 0.00 H new ATOM 1417 N TYR A 988 -18.544 -2.780 -3.438 1.00 0.00 N ATOM 1418 CA TYR A 988 -19.485 -3.126 -2.377 1.00 0.00 C ATOM 1419 C TYR A 988 -20.735 -3.793 -2.943 1.00 0.00 C ATOM 1420 O TYR A 988 -21.222 -3.418 -4.011 1.00 0.00 O ATOM 1421 CB TYR A 988 -19.879 -1.887 -1.570 1.00 0.00 C ATOM 1422 CG TYR A 988 -18.734 -1.262 -0.804 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -17.685 -0.637 -1.467 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -18.709 -1.289 0.585 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -16.642 -0.059 -0.767 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -17.671 -0.711 1.292 1.00 0.00 C ATOM 1427 CZ TYR A 988 -16.641 -0.098 0.611 1.00 0.00 C ATOM 1428 OH TYR A 988 -15.607 0.479 1.312 1.00 0.00 O ATOM 0 H TYR A 988 -18.798 -1.950 -3.974 1.00 0.00 H new ATOM 0 HA TYR A 988 -18.984 -3.833 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -20.298 -1.143 -2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -20.667 -2.159 -0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -17.684 -0.602 -2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -19.514 -1.770 1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -15.832 0.421 -1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -17.667 -0.740 2.372 1.00 0.00 H new ATOM 0 HH TYR A 988 -15.865 0.580 2.252 1.00 0.00 H new ATOM 1438 N SER A 989 -21.251 -4.778 -2.215 1.00 0.00 N ATOM 1439 CA SER A 989 -22.449 -5.496 -2.634 1.00 0.00 C ATOM 1440 C SER A 989 -23.182 -6.064 -1.424 1.00 0.00 C ATOM 1441 O SER A 989 -22.587 -6.754 -0.597 1.00 0.00 O ATOM 1442 CB SER A 989 -22.083 -6.625 -3.600 1.00 0.00 C ATOM 1443 OG SER A 989 -23.237 -7.337 -4.015 1.00 0.00 O ATOM 0 H SER A 989 -20.857 -5.098 -1.330 1.00 0.00 H new ATOM 0 HA SER A 989 -23.108 -4.794 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 989 -21.574 -6.212 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 989 -21.384 -7.308 -3.117 1.00 0.00 H new ATOM 0 HG SER A 989 -22.976 -8.052 -4.633 1.00 0.00 H new ATOM 1449 N CYS A 990 -24.475 -5.768 -1.323 1.00 0.00 N ATOM 1450 CA CYS A 990 -25.281 -6.250 -0.206 1.00 0.00 C ATOM 1451 C CYS A 990 -25.266 -7.773 -0.130 1.00 0.00 C ATOM 1452 O CYS A 990 -25.396 -8.456 -1.147 1.00 0.00 O ATOM 1453 CB CYS A 990 -26.724 -5.753 -0.326 1.00 0.00 C ATOM 1454 SG CYS A 990 -26.921 -3.949 -0.178 1.00 0.00 S ATOM 0 H CYS A 990 -24.985 -5.199 -1.998 1.00 0.00 H new ATOM 0 HA CYS A 990 -24.842 -5.854 0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -27.125 -6.071 -1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -27.325 -6.235 0.445 1.00 0.00 H new ATOM 1459 N THR A 991 -25.103 -8.295 1.085 1.00 0.00 N ATOM 1460 CA THR A 991 -25.072 -9.737 1.314 1.00 0.00 C ATOM 1461 C THR A 991 -26.467 -10.354 1.185 1.00 0.00 C ATOM 1462 O THR A 991 -26.864 -11.184 2.003 1.00 0.00 O ATOM 1463 CB THR A 991 -24.503 -10.067 2.708 1.00 0.00 C ATOM 1464 OG1 THR A 991 -24.454 -11.487 2.898 1.00 0.00 O ATOM 1465 CG2 THR A 991 -25.350 -9.432 3.804 1.00 0.00 C ATOM 0 H THR A 991 -24.990 -7.736 1.930 1.00 0.00 H new ATOM 0 HA THR A 991 -24.423 -10.164 0.550 1.00 0.00 H new ATOM 0 HB THR A 991 -23.494 -9.659 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 991 -25.337 -11.872 2.718 1.00 0.00 H new ATOM 0 HG21 THR A 991 -24.929 -9.679 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 991 -25.359 -8.350 3.676 1.00 0.00 H new ATOM 0 HG23 THR A 991 -26.370 -9.813 3.742 1.00 0.00 H new ATOM 1473 N THR A 992 -27.204 -9.937 0.159 1.00 0.00 N ATOM 1474 CA THR A 992 -28.554 -10.432 -0.072 1.00 0.00 C ATOM 1475 C THR A 992 -29.220 -9.709 -1.250 1.00 0.00 C ATOM 1476 O THR A 992 -28.634 -9.615 -2.328 1.00 0.00 O ATOM 1477 CB THR A 992 -29.401 -10.283 1.201 1.00 0.00 C ATOM 1478 OG1 THR A 992 -30.734 -10.762 0.981 1.00 0.00 O ATOM 1479 CG2 THR A 992 -29.432 -8.836 1.663 1.00 0.00 C ATOM 0 H THR A 992 -26.885 -9.254 -0.528 1.00 0.00 H new ATOM 0 HA THR A 992 -28.486 -11.489 -0.328 1.00 0.00 H new ATOM 0 HB THR A 992 -28.940 -10.885 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 992 -31.371 -10.185 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 992 -30.038 -8.755 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 992 -28.417 -8.500 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 992 -29.864 -8.213 0.880 1.00 0.00 H new ATOM 1487 N GLY A 993 -30.443 -9.213 -1.056 1.00 0.00 N ATOM 1488 CA GLY A 993 -31.139 -8.534 -2.134 1.00 0.00 C ATOM 1489 C GLY A 993 -31.779 -7.225 -1.711 1.00 0.00 C ATOM 1490 O GLY A 993 -32.960 -6.994 -1.973 1.00 0.00 O ATOM 0 H GLY A 993 -30.959 -9.270 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -30.436 -8.341 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -31.910 -9.195 -2.531 1.00 0.00 H new ATOM 1494 N HIS A 994 -30.998 -6.360 -1.071 1.00 0.00 N ATOM 1495 CA HIS A 994 -31.494 -5.065 -0.630 1.00 0.00 C ATOM 1496 C HIS A 994 -31.184 -3.997 -1.679 1.00 0.00 C ATOM 1497 O HIS A 994 -31.330 -4.232 -2.878 1.00 0.00 O ATOM 1498 CB HIS A 994 -30.849 -4.691 0.707 1.00 0.00 C ATOM 1499 CG HIS A 994 -31.357 -5.469 1.880 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -31.543 -6.834 1.859 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -31.686 -5.066 3.130 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -31.965 -7.237 3.046 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -32.060 -6.183 3.834 1.00 0.00 N ATOM 0 H HIS A 994 -30.018 -6.535 -0.847 1.00 0.00 H new ATOM 0 HA HIS A 994 -32.575 -5.124 -0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -29.772 -4.837 0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.015 -3.630 0.892 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -31.659 -4.053 3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -32.193 -8.256 3.323 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -32.362 -6.196 4.808 1.00 0.00 H new ATOM 1512 N ARG A 995 -30.748 -2.834 -1.217 1.00 0.00 N ATOM 1513 CA ARG A 995 -30.407 -1.726 -2.099 1.00 0.00 C ATOM 1514 C ARG A 995 -29.169 -1.013 -1.580 1.00 0.00 C ATOM 1515 O ARG A 995 -29.202 -0.384 -0.528 1.00 0.00 O ATOM 1516 CB ARG A 995 -31.586 -0.748 -2.192 1.00 0.00 C ATOM 1517 CG ARG A 995 -31.183 0.678 -2.530 1.00 0.00 C ATOM 1518 CD ARG A 995 -32.395 1.589 -2.634 1.00 0.00 C ATOM 1519 NE ARG A 995 -32.031 2.950 -3.026 1.00 0.00 N ATOM 1520 CZ ARG A 995 -31.479 3.260 -4.197 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -31.243 2.314 -5.096 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -31.167 4.520 -4.470 1.00 0.00 N ATOM 0 H ARG A 995 -30.621 -2.632 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 995 -30.196 -2.115 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -32.283 -1.107 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -32.120 -0.748 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -30.506 1.057 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -30.636 0.689 -3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -33.095 1.178 -3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -32.911 1.615 -1.674 1.00 0.00 H new ATOM 0 HE ARG A 995 -32.210 3.705 -2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -31.485 1.344 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -30.820 2.556 -5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -31.350 5.251 -3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -30.744 4.758 -5.367 1.00 0.00 H new ATOM 1536 N LEU A 996 -28.072 -1.121 -2.316 1.00 0.00 N ATOM 1537 CA LEU A 996 -26.827 -0.490 -1.910 1.00 0.00 C ATOM 1538 C LEU A 996 -26.936 1.028 -2.005 1.00 0.00 C ATOM 1539 O LEU A 996 -27.395 1.566 -3.014 1.00 0.00 O ATOM 1540 CB LEU A 996 -25.672 -1.004 -2.768 1.00 0.00 C ATOM 1541 CG LEU A 996 -24.281 -0.631 -2.274 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -23.322 -1.793 -2.468 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -23.791 0.609 -2.993 1.00 0.00 C ATOM 0 H LEU A 996 -28.020 -1.638 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 996 -26.629 -0.749 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -25.740 -2.090 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -25.795 -0.621 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 996 -24.328 -0.411 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -22.332 -1.511 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -23.678 -2.657 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -23.267 -2.046 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -22.795 0.869 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -23.751 0.416 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -24.474 1.436 -2.799 1.00 0.00 H new ATOM 1555 N ILE A 997 -26.517 1.712 -0.945 1.00 0.00 N ATOM 1556 CA ILE A 997 -26.574 3.169 -0.904 1.00 0.00 C ATOM 1557 C ILE A 997 -25.229 3.785 -1.278 1.00 0.00 C ATOM 1558 O ILE A 997 -24.177 3.328 -0.830 1.00 0.00 O ATOM 1559 CB ILE A 997 -27.005 3.679 0.490 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -28.481 3.388 0.748 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -26.753 5.161 0.629 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -28.772 1.936 0.996 1.00 0.00 C ATOM 0 H ILE A 997 -26.134 1.281 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 997 -27.321 3.478 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 997 -26.404 3.148 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -28.812 3.969 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -29.065 3.726 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -27.066 5.492 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -25.690 5.363 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -27.321 5.699 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -29.840 1.804 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -28.472 1.351 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -28.216 1.598 1.870 1.00 0.00 H new ATOM 1574 N GLY A 998 -25.278 4.824 -2.109 1.00 0.00 N ATOM 1575 CA GLY A 998 -24.068 5.496 -2.548 1.00 0.00 C ATOM 1576 C GLY A 998 -23.424 4.808 -3.737 1.00 0.00 C ATOM 1577 O GLY A 998 -24.108 4.159 -4.528 1.00 0.00 O ATOM 0 H GLY A 998 -26.141 5.214 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -24.303 6.527 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -23.356 5.533 -1.723 1.00 0.00 H new ATOM 1581 N HIS A 999 -22.107 4.946 -3.866 1.00 0.00 N ATOM 1582 CA HIS A 999 -21.383 4.327 -4.971 1.00 0.00 C ATOM 1583 C HIS A 999 -21.097 2.860 -4.674 1.00 0.00 C ATOM 1584 O HIS A 999 -20.586 2.526 -3.608 1.00 0.00 O ATOM 1585 CB HIS A 999 -20.068 5.067 -5.241 1.00 0.00 C ATOM 1586 CG HIS A 999 -20.243 6.515 -5.590 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -19.207 7.312 -6.031 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -21.337 7.314 -5.554 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -19.656 8.534 -6.252 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -20.945 8.562 -5.971 1.00 0.00 N ATOM 0 H HIS A 999 -21.522 5.479 -3.222 1.00 0.00 H new ATOM 0 HA HIS A 999 -22.012 4.391 -5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -19.432 4.991 -4.359 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -19.543 4.568 -6.056 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -22.333 7.023 -5.253 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -19.068 9.369 -6.603 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -21.552 9.378 -6.051 1.00 0.00 H new ATOM 1599 N SER A1000 -21.430 1.988 -5.619 1.00 0.00 N ATOM 1600 CA SER A1000 -21.206 0.556 -5.445 1.00 0.00 C ATOM 1601 C SER A1000 -19.728 0.202 -5.598 1.00 0.00 C ATOM 1602 O SER A1000 -19.368 -0.971 -5.678 1.00 0.00 O ATOM 1603 CB SER A1000 -22.038 -0.237 -6.455 1.00 0.00 C ATOM 1604 OG SER A1000 -23.421 0.024 -6.294 1.00 0.00 O ATOM 0 H SER A1000 -21.854 2.245 -6.510 1.00 0.00 H new ATOM 0 HA SER A1000 -21.517 0.291 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A1000 -21.731 0.024 -7.468 1.00 0.00 H new ATOM 0 HB3 SER A1000 -21.849 -1.303 -6.329 1.00 0.00 H new ATOM 0 HG SER A1000 -23.930 -0.493 -6.952 1.00 0.00 H new ATOM 1610 N SER A1001 -18.876 1.224 -5.637 1.00 0.00 N ATOM 1611 CA SER A1001 -17.439 1.016 -5.780 1.00 0.00 C ATOM 1612 C SER A1001 -16.662 2.238 -5.297 1.00 0.00 C ATOM 1613 O SER A1001 -17.160 3.363 -5.357 1.00 0.00 O ATOM 1614 CB SER A1001 -17.090 0.711 -7.237 1.00 0.00 C ATOM 1615 OG SER A1001 -15.715 0.399 -7.376 1.00 0.00 O ATOM 0 H SER A1001 -19.156 2.203 -5.572 1.00 0.00 H new ATOM 0 HA SER A1001 -17.155 0.164 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A1001 -17.694 -0.124 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A1001 -17.336 1.570 -7.861 1.00 0.00 H new ATOM 0 HG SER A1001 -15.548 0.053 -8.277 1.00 0.00 H new ATOM 1621 N ALA A1002 -15.440 2.014 -4.820 1.00 0.00 N ATOM 1622 CA ALA A1002 -14.602 3.104 -4.328 1.00 0.00 C ATOM 1623 C ALA A1002 -13.120 2.749 -4.414 1.00 0.00 C ATOM 1624 O ALA A1002 -12.694 1.693 -3.945 1.00 0.00 O ATOM 1625 CB ALA A1002 -14.978 3.451 -2.896 1.00 0.00 C ATOM 0 H ALA A1002 -15.009 1.091 -4.764 1.00 0.00 H new ATOM 0 HA ALA A1002 -14.775 3.973 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.346 4.265 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -16.023 3.760 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -14.835 2.577 -2.260 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.342 3.643 -5.017 1.00 0.00 N ATOM 1632 CA GLU A1003 -10.903 3.438 -5.172 1.00 0.00 C ATOM 1633 C GLU A1003 -10.117 4.138 -4.072 1.00 0.00 C ATOM 1634 O GLU A1003 -10.361 5.306 -3.769 1.00 0.00 O ATOM 1635 CB GLU A1003 -10.435 3.960 -6.530 1.00 0.00 C ATOM 1636 CG GLU A1003 -10.876 5.385 -6.811 1.00 0.00 C ATOM 1637 CD GLU A1003 -10.462 5.864 -8.190 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -9.245 5.888 -8.468 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -11.355 6.215 -8.989 1.00 0.00 O ATOM 0 H GLU A1003 -12.685 4.520 -5.408 1.00 0.00 H new ATOM 0 HA GLU A1003 -10.719 2.366 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -9.347 3.908 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -10.819 3.307 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -11.960 5.451 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -10.451 6.048 -6.058 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.152 3.429 -3.498 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.311 4.005 -2.458 1.00 0.00 C ATOM 1648 C CYS A1004 -7.363 5.020 -3.078 1.00 0.00 C ATOM 1649 O CYS A1004 -6.612 4.692 -3.997 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.513 2.914 -1.742 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.335 3.544 -0.502 1.00 0.00 S ATOM 0 H CYS A1004 -8.934 2.461 -3.734 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.948 4.500 -1.725 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.209 2.232 -1.253 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -6.966 2.333 -2.484 1.00 0.00 H new ATOM 1656 N ILE A1005 -7.404 6.255 -2.594 1.00 0.00 N ATOM 1657 CA ILE A1005 -6.546 7.297 -3.138 1.00 0.00 C ATOM 1658 C ILE A1005 -5.940 8.165 -2.050 1.00 0.00 C ATOM 1659 O ILE A1005 -6.601 8.522 -1.076 1.00 0.00 O ATOM 1660 CB ILE A1005 -7.309 8.183 -4.133 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -8.587 8.724 -3.491 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -7.619 7.390 -5.392 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -9.366 9.668 -4.383 1.00 0.00 C ATOM 0 H ILE A1005 -8.015 6.556 -1.835 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.736 6.787 -3.659 1.00 0.00 H new ATOM 0 HB ILE A1005 -6.688 9.036 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -9.228 7.886 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -8.328 9.242 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -8.161 8.022 -6.096 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -6.688 7.053 -5.848 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -8.231 6.525 -5.136 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -10.259 10.010 -3.859 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -8.743 10.526 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -9.657 9.149 -5.296 1.00 0.00 H new ATOM 1675 N LEU A1006 -4.669 8.496 -2.230 1.00 0.00 N ATOM 1676 CA LEU A1006 -3.949 9.323 -1.268 1.00 0.00 C ATOM 1677 C LEU A1006 -4.189 10.807 -1.524 1.00 0.00 C ATOM 1678 O LEU A1006 -3.872 11.322 -2.596 1.00 0.00 O ATOM 1679 CB LEU A1006 -2.449 9.027 -1.336 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.581 9.833 -0.366 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -1.928 9.489 1.075 1.00 0.00 C ATOM 1682 CD2 LEU A1006 -0.106 9.577 -0.633 1.00 0.00 C ATOM 0 H LEU A1006 -4.113 8.205 -3.034 1.00 0.00 H new ATOM 0 HA LEU A1006 -4.324 9.080 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.295 7.966 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -2.103 9.217 -2.352 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.782 10.892 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -1.301 10.072 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.976 9.722 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -1.756 8.426 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A1006 0.496 10.158 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A1006 0.109 8.516 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A1006 0.136 9.873 -1.654 1.00 0.00 H new ATOM 1694 N SER A1007 -4.735 11.494 -0.526 1.00 0.00 N ATOM 1695 CA SER A1007 -4.997 12.924 -0.637 1.00 0.00 C ATOM 1696 C SER A1007 -3.850 13.715 -0.019 1.00 0.00 C ATOM 1697 O SER A1007 -4.062 14.756 0.603 1.00 0.00 O ATOM 1698 CB SER A1007 -6.310 13.286 0.058 1.00 0.00 C ATOM 1699 OG SER A1007 -6.240 13.024 1.449 1.00 0.00 O ATOM 0 H SER A1007 -5.004 11.084 0.368 1.00 0.00 H new ATOM 0 HA SER A1007 -5.080 13.178 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A1007 -6.533 14.340 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A1007 -7.128 12.715 -0.382 1.00 0.00 H new ATOM 0 HG SER A1007 -5.410 12.544 1.650 1.00 0.00 H new ATOM 1705 N GLY A1008 -2.635 13.201 -0.187 1.00 0.00 N ATOM 1706 CA GLY A1008 -1.467 13.857 0.368 1.00 0.00 C ATOM 1707 C GLY A1008 -1.463 13.826 1.884 1.00 0.00 C ATOM 1708 O GLY A1008 -2.413 14.283 2.519 1.00 0.00 O ATOM 0 H GLY A1008 -2.440 12.340 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A1008 -0.566 13.371 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -1.436 14.892 0.027 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.388 13.284 2.460 1.00 0.00 N ATOM 1713 CA ASN A1009 -0.243 13.186 3.914 1.00 0.00 C ATOM 1714 C ASN A1009 -1.156 12.110 4.501 1.00 0.00 C ATOM 1715 O ASN A1009 -0.778 11.418 5.446 1.00 0.00 O ATOM 1716 CB ASN A1009 -0.542 14.529 4.585 1.00 0.00 C ATOM 1717 CG ASN A1009 0.326 15.652 4.051 1.00 0.00 C ATOM 1718 OD1 ASN A1009 0.289 15.971 2.864 1.00 0.00 O ATOM 1719 ND2 ASN A1009 1.116 16.256 4.932 1.00 0.00 N ATOM 0 H ASN A1009 0.401 12.903 1.937 1.00 0.00 H new ATOM 0 HA ASN A1009 0.792 12.907 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A1009 -1.591 14.782 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A1009 -0.389 14.436 5.660 1.00 0.00 H new ATOM 0 HD21 ASN A1009 1.725 17.018 4.633 1.00 0.00 H new ATOM 0 HD22 ASN A1009 1.114 15.958 5.907 1.00 0.00 H new ATOM 1726 N THR A1010 -2.362 11.981 3.952 1.00 0.00 N ATOM 1727 CA THR A1010 -3.320 10.999 4.445 1.00 0.00 C ATOM 1728 C THR A1010 -4.169 10.424 3.314 1.00 0.00 C ATOM 1729 O THR A1010 -4.752 11.162 2.522 1.00 0.00 O ATOM 1730 CB THR A1010 -4.249 11.626 5.498 1.00 0.00 C ATOM 1731 OG1 THR A1010 -3.484 12.086 6.617 1.00 0.00 O ATOM 1732 CG2 THR A1010 -5.292 10.626 5.969 1.00 0.00 C ATOM 0 H THR A1010 -2.696 12.543 3.169 1.00 0.00 H new ATOM 0 HA THR A1010 -2.744 10.192 4.897 1.00 0.00 H new ATOM 0 HB THR A1010 -4.762 12.470 5.037 1.00 0.00 H new ATOM 0 HG1 THR A1010 -4.084 12.485 7.281 1.00 0.00 H new ATOM 0 HG21 THR A1010 -5.936 11.095 6.713 1.00 0.00 H new ATOM 0 HG22 THR A1010 -5.895 10.302 5.120 1.00 0.00 H new ATOM 0 HG23 THR A1010 -4.795 9.763 6.412 1.00 0.00 H new ATOM 1740 N ALA A1011 -4.233 9.097 3.253 1.00 0.00 N ATOM 1741 CA ALA A1011 -5.009 8.407 2.227 1.00 0.00 C ATOM 1742 C ALA A1011 -6.462 8.214 2.654 1.00 0.00 C ATOM 1743 O ALA A1011 -6.754 8.028 3.836 1.00 0.00 O ATOM 1744 CB ALA A1011 -4.377 7.064 1.902 1.00 0.00 C ATOM 0 H ALA A1011 -3.754 8.476 3.905 1.00 0.00 H new ATOM 0 HA ALA A1011 -5.004 9.032 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.966 6.561 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -3.362 7.219 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -4.349 6.448 2.801 1.00 0.00 H new ATOM 1750 N HIS A1012 -7.364 8.247 1.679 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.787 8.061 1.937 1.00 0.00 C ATOM 1752 C HIS A1012 -9.501 7.601 0.670 1.00 0.00 C ATOM 1753 O HIS A1012 -9.095 7.946 -0.441 1.00 0.00 O ATOM 1754 CB HIS A1012 -9.423 9.354 2.459 1.00 0.00 C ATOM 1755 CG HIS A1012 -9.476 10.460 1.449 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -10.150 10.353 0.249 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -8.945 11.705 1.470 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -10.029 11.484 -0.423 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -9.304 12.320 0.296 1.00 0.00 N ATOM 0 H HIS A1012 -7.133 8.402 0.698 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.894 7.292 2.703 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -10.436 9.137 2.798 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -8.862 9.697 3.329 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -8.350 12.134 2.262 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -10.452 11.689 -1.395 1.00 0.00 H new ATOM 0 HE2 HIS A1012 -9.051 13.270 0.024 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.559 6.816 0.838 1.00 0.00 N ATOM 1769 CA TRP A1013 -11.315 6.316 -0.302 1.00 0.00 C ATOM 1770 C TRP A1013 -12.004 7.460 -1.038 1.00 0.00 C ATOM 1771 O TRP A1013 -12.527 8.387 -0.420 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.338 5.271 0.144 1.00 0.00 C ATOM 1773 CG TRP A1013 -11.705 4.062 0.764 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -11.452 3.852 2.089 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.210 2.909 0.074 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -10.851 2.629 2.266 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -10.688 2.033 1.044 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.165 2.529 -1.270 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -10.126 0.803 0.712 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -10.605 1.309 -1.598 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.092 0.459 -0.611 1.00 0.00 C ATOM 0 H TRP A1013 -10.910 6.514 1.747 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.616 5.840 -0.989 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -13.023 5.724 0.861 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -12.933 4.963 -0.716 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -11.689 4.546 2.882 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -10.572 2.230 3.162 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.561 3.177 -2.038 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -9.731 0.145 1.472 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -10.562 1.006 -2.634 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -9.661 -0.488 -0.900 1.00 0.00 H new ATOM 1792 N SER A1014 -11.983 7.389 -2.366 1.00 0.00 N ATOM 1793 CA SER A1014 -12.586 8.415 -3.210 1.00 0.00 C ATOM 1794 C SER A1014 -14.027 8.711 -2.804 1.00 0.00 C ATOM 1795 O SER A1014 -14.525 9.816 -3.022 1.00 0.00 O ATOM 1796 CB SER A1014 -12.541 7.983 -4.677 1.00 0.00 C ATOM 1797 OG SER A1014 -13.123 8.965 -5.518 1.00 0.00 O ATOM 0 H SER A1014 -11.551 6.624 -2.884 1.00 0.00 H new ATOM 0 HA SER A1014 -12.007 9.329 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.507 7.810 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A1014 -13.070 7.038 -4.797 1.00 0.00 H new ATOM 0 HG SER A1014 -13.080 8.665 -6.450 1.00 0.00 H new ATOM 1803 N THR A1015 -14.699 7.721 -2.224 1.00 0.00 N ATOM 1804 CA THR A1015 -16.089 7.893 -1.809 1.00 0.00 C ATOM 1805 C THR A1015 -16.367 7.204 -0.475 1.00 0.00 C ATOM 1806 O THR A1015 -15.860 6.115 -0.207 1.00 0.00 O ATOM 1807 CB THR A1015 -17.064 7.341 -2.867 1.00 0.00 C ATOM 1808 OG1 THR A1015 -16.855 5.935 -3.042 1.00 0.00 O ATOM 1809 CG2 THR A1015 -16.875 8.053 -4.198 1.00 0.00 C ATOM 0 H THR A1015 -14.309 6.799 -2.032 1.00 0.00 H new ATOM 0 HA THR A1015 -16.247 8.966 -1.697 1.00 0.00 H new ATOM 0 HB THR A1015 -18.081 7.516 -2.517 1.00 0.00 H new ATOM 0 HG1 THR A1015 -17.362 5.623 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A1015 -17.573 7.647 -4.930 1.00 0.00 H new ATOM 0 HG22 THR A1015 -17.062 9.119 -4.070 1.00 0.00 H new ATOM 0 HG23 THR A1015 -15.854 7.903 -4.549 1.00 0.00 H new ATOM 1817 N LYS A1016 -17.181 7.855 0.354 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.539 7.322 1.665 1.00 0.00 C ATOM 1819 C LYS A1016 -18.101 5.905 1.548 1.00 0.00 C ATOM 1820 O LYS A1016 -18.646 5.528 0.511 1.00 0.00 O ATOM 1821 CB LYS A1016 -18.543 8.252 2.362 1.00 0.00 C ATOM 1822 CG LYS A1016 -19.741 8.644 1.505 1.00 0.00 C ATOM 1823 CD LYS A1016 -20.726 7.499 1.336 1.00 0.00 C ATOM 1824 CE LYS A1016 -21.922 7.912 0.495 1.00 0.00 C ATOM 1825 NZ LYS A1016 -22.658 9.057 1.098 1.00 0.00 N ATOM 0 H LYS A1016 -17.606 8.757 0.138 1.00 0.00 H new ATOM 0 HA LYS A1016 -16.635 7.271 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -18.904 7.763 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -18.024 9.158 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -20.249 9.494 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -19.393 8.969 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -20.225 6.653 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -21.067 7.164 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -21.585 8.184 -0.505 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -22.598 7.064 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -23.584 9.156 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -22.795 8.885 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -22.110 9.931 0.965 1.00 0.00 H new ATOM 1839 N PRO A1017 -17.960 5.092 2.613 1.00 0.00 N ATOM 1840 CA PRO A1017 -18.445 3.708 2.616 1.00 0.00 C ATOM 1841 C PRO A1017 -19.936 3.604 2.297 1.00 0.00 C ATOM 1842 O PRO A1017 -20.770 4.209 2.972 1.00 0.00 O ATOM 1843 CB PRO A1017 -18.174 3.230 4.045 1.00 0.00 C ATOM 1844 CG PRO A1017 -17.095 4.124 4.553 1.00 0.00 C ATOM 1845 CD PRO A1017 -17.309 5.453 3.884 1.00 0.00 C ATOM 0 HA PRO A1017 -17.949 3.111 1.850 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -19.070 3.303 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -17.861 2.186 4.059 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -17.146 4.220 5.638 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.110 3.721 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -17.938 6.110 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -16.367 5.977 3.719 1.00 0.00 H new ATOM 1853 N PRO A1018 -20.287 2.823 1.259 1.00 0.00 N ATOM 1854 CA PRO A1018 -21.678 2.622 0.840 1.00 0.00 C ATOM 1855 C PRO A1018 -22.476 1.814 1.857 1.00 0.00 C ATOM 1856 O PRO A1018 -21.927 0.951 2.543 1.00 0.00 O ATOM 1857 CB PRO A1018 -21.561 1.842 -0.479 1.00 0.00 C ATOM 1858 CG PRO A1018 -20.121 1.921 -0.865 1.00 0.00 C ATOM 1859 CD PRO A1018 -19.355 2.071 0.412 1.00 0.00 C ATOM 0 HA PRO A1018 -22.206 3.570 0.740 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -21.876 0.806 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -22.198 2.277 -1.249 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -19.812 1.024 -1.401 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -19.941 2.767 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -19.101 1.105 0.848 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -18.419 2.609 0.262 1.00 0.00 H new ATOM 1867 N ILE A1019 -23.773 2.093 1.948 1.00 0.00 N ATOM 1868 CA ILE A1019 -24.637 1.380 2.884 1.00 0.00 C ATOM 1869 C ILE A1019 -25.433 0.295 2.166 1.00 0.00 C ATOM 1870 O ILE A1019 -25.021 -0.217 1.125 1.00 0.00 O ATOM 1871 CB ILE A1019 -25.642 2.330 3.575 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -25.121 3.765 3.605 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -25.929 1.849 4.991 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -26.160 4.758 4.082 1.00 0.00 C ATOM 0 H ILE A1019 -24.247 2.803 1.389 1.00 0.00 H new ATOM 0 HA ILE A1019 -23.982 0.938 3.635 1.00 0.00 H new ATOM 0 HB ILE A1019 -26.566 2.319 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -24.250 3.816 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -24.788 4.047 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -26.638 2.525 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -26.353 0.845 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -25.002 1.831 5.564 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -25.732 5.760 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -27.022 4.731 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -26.475 4.498 5.093 1.00 0.00 H new ATOM 1886 N CYS A1020 -26.588 -0.024 2.731 1.00 0.00 N ATOM 1887 CA CYS A1020 -27.489 -1.019 2.174 1.00 0.00 C ATOM 1888 C CYS A1020 -28.873 -0.820 2.776 1.00 0.00 C ATOM 1889 O CYS A1020 -28.997 -0.484 3.955 1.00 0.00 O ATOM 1890 CB CYS A1020 -26.985 -2.435 2.453 1.00 0.00 C ATOM 1891 SG CYS A1020 -27.923 -3.723 1.575 1.00 0.00 S ATOM 0 H CYS A1020 -26.927 0.403 3.593 1.00 0.00 H new ATOM 0 HA CYS A1020 -27.535 -0.894 1.092 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -25.935 -2.502 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -27.036 -2.626 3.525 1.00 0.00 H new ATOM 1896 N GLN A1021 -29.910 -0.985 1.967 1.00 0.00 N ATOM 1897 CA GLN A1021 -31.269 -0.773 2.449 1.00 0.00 C ATOM 1898 C GLN A1021 -32.274 -1.633 1.689 1.00 0.00 C ATOM 1899 O GLN A1021 -32.312 -1.618 0.463 1.00 0.00 O ATOM 1900 CB GLN A1021 -31.626 0.705 2.285 1.00 0.00 C ATOM 1901 CG GLN A1021 -32.434 1.274 3.435 1.00 0.00 C ATOM 1902 CD GLN A1021 -32.692 2.765 3.299 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -32.137 3.379 2.256 1.00 0.00 O flip ATOM 1904 NE2 GLN A1021 -33.377 3.362 4.128 1.00 0.00 N flip ATOM 0 H GLN A1021 -29.840 -1.261 0.988 1.00 0.00 H new ATOM 0 HA GLN A1021 -31.314 -1.062 3.499 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -30.707 1.281 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -32.189 0.832 1.360 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -33.388 0.750 3.496 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -31.907 1.086 4.370 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -33.785 2.855 4.913 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -33.537 4.365 4.030 1.00 0.00 H new ATOM 1913 N ARG A1022 -33.091 -2.376 2.427 1.00 0.00 N ATOM 1914 CA ARG A1022 -34.098 -3.241 1.820 1.00 0.00 C ATOM 1915 C ARG A1022 -34.950 -2.489 0.816 1.00 0.00 C ATOM 1916 O ARG A1022 -35.455 -1.399 1.090 1.00 0.00 O ATOM 1917 CB ARG A1022 -34.990 -3.866 2.893 1.00 0.00 C ATOM 1918 CG ARG A1022 -36.153 -4.660 2.320 1.00 0.00 C ATOM 1919 CD ARG A1022 -36.942 -5.368 3.408 1.00 0.00 C ATOM 1920 NE ARG A1022 -37.514 -4.429 4.370 1.00 0.00 N ATOM 1921 CZ ARG A1022 -38.240 -4.801 5.420 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -38.479 -6.085 5.646 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -38.729 -3.885 6.246 1.00 0.00 N ATOM 0 H ARG A1022 -33.076 -2.397 3.447 1.00 0.00 H new ATOM 0 HA ARG A1022 -33.568 -4.032 1.290 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -34.386 -4.521 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -35.380 -3.077 3.537 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -36.814 -3.991 1.769 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -35.776 -5.394 1.608 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -37.742 -5.953 2.953 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -36.291 -6.069 3.930 1.00 0.00 H new ATOM 0 HE ARG A1022 -37.347 -3.433 4.228 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -38.105 -6.792 5.013 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -39.036 -6.366 6.453 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -38.548 -2.896 6.075 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -39.286 -4.170 7.052 1.00 0.00 H new ATOM 1937 N ILE A1023 -35.104 -3.096 -0.350 1.00 0.00 N ATOM 1938 CA ILE A1023 -35.892 -2.520 -1.418 1.00 0.00 C ATOM 1939 C ILE A1023 -37.386 -2.647 -1.125 1.00 0.00 C ATOM 1940 O ILE A1023 -37.873 -3.734 -0.809 1.00 0.00 O ATOM 1941 CB ILE A1023 -35.573 -3.205 -2.758 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -34.124 -2.932 -3.166 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -36.532 -2.731 -3.826 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -33.731 -3.572 -4.481 1.00 0.00 C ATOM 0 H ILE A1023 -34.686 -3.998 -0.578 1.00 0.00 H new ATOM 0 HA ILE A1023 -35.634 -1.463 -1.485 1.00 0.00 H new ATOM 0 HB ILE A1023 -35.694 -4.282 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -33.973 -1.855 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -33.460 -3.296 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -36.297 -3.222 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -37.553 -2.977 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -36.439 -1.652 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -32.691 -3.335 -4.705 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -33.849 -4.653 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -34.370 -3.189 -5.277 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.136 -1.536 -1.226 1.00 0.00 N ATOM 1957 CA PRO A1024 -39.581 -1.524 -0.970 1.00 0.00 C ATOM 1958 C PRO A1024 -40.346 -2.429 -1.930 1.00 0.00 C ATOM 1959 O PRO A1024 -41.197 -3.210 -1.454 1.00 0.00 O ATOM 1960 CB PRO A1024 -39.970 -0.057 -1.190 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.698 0.696 -1.019 1.00 0.00 C ATOM 1962 CD PRO A1024 -37.643 -0.198 -1.592 1.00 0.00 C ATOM 1963 OXT PRO A1024 -40.089 -2.349 -3.149 1.00 0.00 O ATOM 0 HA PRO A1024 -39.822 -1.897 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -40.392 0.097 -2.183 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -40.722 0.266 -0.471 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -38.732 1.653 -1.541 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -38.505 0.912 0.032 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.551 -0.079 -2.672 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -36.661 0.005 -1.164 1.00 0.00 H new TER 1971 PRO A1024