USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=35 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: A 962 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 981 GLN : amide:sc= -6.27! C(o=-6.3!,f=-6!) USER MOD Set 2.1: A 927 SER OG : rot -118:sc= 1.19 USER MOD Set 2.2: A 944 THR OG1 : rot 180:sc= 0.983 USER MOD Single : A 901 HIS : no HE2:sc= -0.888 K(o=-0.89,f=-3.5!) USER MOD Single : A 903 GLN : amide:sc= -6.94! K(o=-6.9!,f=-2) USER MOD Single : A 907 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 914 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 THR OG1 : rot -160:sc= 0.552 USER MOD Single : A 916 GLN : amide:sc= -6.12! C(o=-6.1!,f=-0.87!) USER MOD Single : A 917 THR OG1 : rot 180:sc= 0 USER MOD Single : A 918 THR OG1 : rot 45:sc= 0.892 USER MOD Single : A 920 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 926 THR OG1 : rot -140:sc= -1.05 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 930 TYR OH : rot 180:sc= -1.13 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 942 SER OG : rot 29:sc= 0.226 USER MOD Single : A 948 ASN : amide:sc= -1.03 X(o=-1,f=-0.62) USER MOD Single : A 952 SER OG : rot 180:sc= 0.303 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ 168:sc= -0.0364 (180deg=-0.235) USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 961 LYS NZ :NH3+ 161:sc= -4.3! (180deg=-5!) USER MOD Single : A 964 LYS NZ :NH3+ -166:sc= -0.0517 (180deg=-0.279) USER MOD Single : A 965 THR OG1 : rot 180:sc= -0.068 USER MOD Single : A 971 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.44) USER MOD Single : A 973 MET CE :methyl 143:sc= -0.26 (180deg=-0.925) USER MOD Single : A 975 HIS : no HE2:sc= -1.99 K(o=-2,f=-4.2!) USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 984 SER OG : rot -140:sc= -0.0722 USER MOD Single : A 987 THR OG1 : rot 180:sc= -1 USER MOD Single : A 988 TYR OH : rot 90:sc= -0.392 USER MOD Single : A 989 SER OG : rot 180:sc= 0 USER MOD Single : A 991 THR OG1 : rot 180:sc=0.000512 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -0.93 K(o=-0.93,f=-2.2!) USER MOD Single : A 999 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-5.3!) USER MOD Single : A1000 SER OG : rot 180:sc= -1.59 USER MOD Single : A1001 SER OG : rot 180:sc= -1.6 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1009 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.19) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1012 HIS : no HE2:sc= -4.39! C(o=-4.4!,f=-9!) USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1015 THR OG1 : rot -159:sc= -0.998 USER MOD Single : A1016 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1021 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 897 35.496 3.111 -11.221 1.00 0.00 N ATOM 2 CA GLU A 897 36.103 1.756 -11.159 1.00 0.00 C ATOM 3 C GLU A 897 36.883 1.560 -9.863 1.00 0.00 C ATOM 4 O GLU A 897 37.630 2.442 -9.438 1.00 0.00 O ATOM 5 CB GLU A 897 37.031 1.583 -12.364 1.00 0.00 C ATOM 6 CG GLU A 897 36.329 1.737 -13.705 1.00 0.00 C ATOM 7 CD GLU A 897 35.270 0.676 -13.943 1.00 0.00 C ATOM 8 OE1 GLU A 897 34.296 0.620 -13.164 1.00 0.00 O ATOM 9 OE2 GLU A 897 35.416 -0.099 -14.912 1.00 0.00 O ATOM 0 HA GLU A 897 35.311 1.007 -11.182 1.00 0.00 H new ATOM 0 HB2 GLU A 897 37.836 2.315 -12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 897 37.493 0.597 -12.317 1.00 0.00 H new ATOM 0 HG2 GLU A 897 35.866 2.723 -13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 897 37.069 1.690 -14.504 1.00 0.00 H new ATOM 18 N ALA A 898 36.703 0.399 -9.239 1.00 0.00 N ATOM 19 CA ALA A 898 37.389 0.086 -7.990 1.00 0.00 C ATOM 20 C ALA A 898 37.180 -1.374 -7.600 1.00 0.00 C ATOM 21 O ALA A 898 36.067 -1.893 -7.674 1.00 0.00 O ATOM 22 CB ALA A 898 36.905 1.004 -6.876 1.00 0.00 C ATOM 0 H ALA A 898 36.088 -0.340 -9.578 1.00 0.00 H new ATOM 0 HA ALA A 898 38.456 0.247 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 898 37.426 0.759 -5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 898 37.110 2.041 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 898 35.832 0.871 -6.735 1.00 0.00 H new ATOM 28 N GLU A 899 38.261 -2.028 -7.185 1.00 0.00 N ATOM 29 CA GLU A 899 38.202 -3.429 -6.783 1.00 0.00 C ATOM 30 C GLU A 899 37.263 -3.619 -5.596 1.00 0.00 C ATOM 31 O GLU A 899 37.236 -2.801 -4.677 1.00 0.00 O ATOM 32 CB GLU A 899 39.600 -3.938 -6.426 1.00 0.00 C ATOM 33 CG GLU A 899 40.587 -3.867 -7.580 1.00 0.00 C ATOM 34 CD GLU A 899 41.957 -4.402 -7.210 1.00 0.00 C ATOM 35 OE1 GLU A 899 42.576 -3.852 -6.275 1.00 0.00 O ATOM 36 OE2 GLU A 899 42.409 -5.371 -7.856 1.00 0.00 O ATOM 0 H GLU A 899 39.189 -1.610 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 899 37.815 -4.004 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 899 39.988 -3.354 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 899 39.526 -4.971 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 899 40.195 -4.435 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 899 40.682 -2.832 -7.909 1.00 0.00 H new ATOM 43 N ALA A 900 36.494 -4.706 -5.627 1.00 0.00 N ATOM 44 CA ALA A 900 35.550 -5.015 -4.558 1.00 0.00 C ATOM 45 C ALA A 900 34.473 -3.944 -4.439 1.00 0.00 C ATOM 46 O ALA A 900 34.110 -3.302 -5.424 1.00 0.00 O ATOM 47 CB ALA A 900 36.284 -5.189 -3.236 1.00 0.00 C ATOM 0 H ALA A 900 36.508 -5.389 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 900 35.055 -5.953 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 900 35.566 -5.419 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 900 37.001 -6.005 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 900 36.811 -4.268 -2.988 1.00 0.00 H new ATOM 53 N HIS A 901 33.962 -3.770 -3.223 1.00 0.00 N ATOM 54 CA HIS A 901 32.916 -2.786 -2.954 1.00 0.00 C ATOM 55 C HIS A 901 31.612 -3.179 -3.643 1.00 0.00 C ATOM 56 O HIS A 901 31.623 -3.729 -4.745 1.00 0.00 O ATOM 57 CB HIS A 901 33.355 -1.392 -3.411 1.00 0.00 C ATOM 58 CG HIS A 901 34.560 -0.877 -2.686 1.00 0.00 C ATOM 59 ND1 HIS A 901 35.771 -1.536 -2.676 1.00 0.00 N ATOM 60 CD2 HIS A 901 34.737 0.243 -1.946 1.00 0.00 C ATOM 61 CE1 HIS A 901 36.640 -0.845 -1.959 1.00 0.00 C ATOM 62 NE2 HIS A 901 36.038 0.238 -1.506 1.00 0.00 N ATOM 0 H HIS A 901 34.257 -4.301 -2.404 1.00 0.00 H new ATOM 0 HA HIS A 901 32.745 -2.762 -1.878 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.568 -1.419 -4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 901 32.529 -0.695 -3.268 1.00 0.00 H new ATOM 0 HD1 HIS A 901 35.966 -2.419 -3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 901 33.994 0.999 -1.740 1.00 0.00 H new ATOM 0 HE1 HIS A 901 37.668 -1.120 -1.775 1.00 0.00 H new ATOM 71 N CYS A 902 30.488 -2.899 -2.988 1.00 0.00 N ATOM 72 CA CYS A 902 29.182 -3.231 -3.547 1.00 0.00 C ATOM 73 C CYS A 902 28.759 -2.197 -4.583 1.00 0.00 C ATOM 74 O CYS A 902 28.678 -1.004 -4.290 1.00 0.00 O ATOM 75 CB CYS A 902 28.129 -3.316 -2.437 1.00 0.00 C ATOM 76 SG CYS A 902 28.357 -4.711 -1.285 1.00 0.00 S ATOM 0 H CYS A 902 30.456 -2.446 -2.075 1.00 0.00 H new ATOM 0 HA CYS A 902 29.261 -4.202 -4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 902 28.142 -2.386 -1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 902 27.143 -3.396 -2.894 1.00 0.00 H new ATOM 81 N GLN A 903 28.495 -2.666 -5.798 1.00 0.00 N ATOM 82 CA GLN A 903 28.084 -1.789 -6.889 1.00 0.00 C ATOM 83 C GLN A 903 26.726 -1.155 -6.623 1.00 0.00 C ATOM 84 O GLN A 903 25.977 -1.596 -5.752 1.00 0.00 O ATOM 85 CB GLN A 903 28.070 -2.547 -8.220 1.00 0.00 C ATOM 86 CG GLN A 903 27.647 -4.004 -8.104 1.00 0.00 C ATOM 87 CD GLN A 903 26.160 -4.194 -7.859 1.00 0.00 C ATOM 88 OE1 GLN A 903 25.712 -5.296 -7.547 1.00 0.00 O ATOM 89 NE2 GLN A 903 25.383 -3.131 -8.023 1.00 0.00 N ATOM 0 H GLN A 903 28.559 -3.652 -6.053 1.00 0.00 H new ATOM 0 HA GLN A 903 28.817 -0.985 -6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 903 27.395 -2.038 -8.908 1.00 0.00 H new ATOM 0 HB3 GLN A 903 29.066 -2.504 -8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 903 27.924 -4.527 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 903 28.202 -4.470 -7.290 1.00 0.00 H new ATOM 0 HE21 GLN A 903 25.794 -2.234 -8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 903 24.375 -3.211 -7.890 1.00 0.00 H new ATOM 98 N ALA A 904 26.429 -0.107 -7.385 1.00 0.00 N ATOM 99 CA ALA A 904 25.171 0.623 -7.258 1.00 0.00 C ATOM 100 C ALA A 904 23.980 -0.325 -7.120 1.00 0.00 C ATOM 101 O ALA A 904 23.771 -1.199 -7.960 1.00 0.00 O ATOM 102 CB ALA A 904 24.985 1.533 -8.458 1.00 0.00 C ATOM 0 H ALA A 904 27.051 0.260 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 904 25.217 1.224 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 904 24.045 2.076 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 904 25.811 2.242 -8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 904 24.965 0.935 -9.369 1.00 0.00 H new ATOM 108 N PRO A 905 23.175 -0.157 -6.056 1.00 0.00 N ATOM 109 CA PRO A 905 22.000 -0.999 -5.810 1.00 0.00 C ATOM 110 C PRO A 905 20.908 -0.795 -6.852 1.00 0.00 C ATOM 111 O PRO A 905 20.578 0.338 -7.203 1.00 0.00 O ATOM 112 CB PRO A 905 21.496 -0.545 -4.433 1.00 0.00 C ATOM 113 CG PRO A 905 22.598 0.272 -3.849 1.00 0.00 C ATOM 114 CD PRO A 905 23.342 0.861 -5.010 1.00 0.00 C ATOM 0 HA PRO A 905 22.257 -2.057 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 905 20.581 0.040 -4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 905 21.265 -1.401 -3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 905 22.202 1.055 -3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 905 23.257 -0.344 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 905 22.925 1.822 -5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 905 24.393 1.029 -4.774 1.00 0.00 H new ATOM 122 N ASP A 906 20.341 -1.896 -7.331 1.00 0.00 N ATOM 123 CA ASP A 906 19.273 -1.826 -8.321 1.00 0.00 C ATOM 124 C ASP A 906 18.040 -1.158 -7.740 1.00 0.00 C ATOM 125 O ASP A 906 17.800 -1.205 -6.533 1.00 0.00 O ATOM 126 CB ASP A 906 18.916 -3.213 -8.847 1.00 0.00 C ATOM 127 CG ASP A 906 17.590 -3.235 -9.583 1.00 0.00 C ATOM 128 OD1 ASP A 906 17.463 -2.517 -10.598 1.00 0.00 O ATOM 129 OD2 ASP A 906 16.678 -3.968 -9.145 1.00 0.00 O ATOM 0 H ASP A 906 20.601 -2.842 -7.052 1.00 0.00 H new ATOM 0 HA ASP A 906 19.638 -1.225 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 906 19.704 -3.558 -9.516 1.00 0.00 H new ATOM 0 HB3 ASP A 906 18.876 -3.914 -8.014 1.00 0.00 H new ATOM 134 N HIS A 907 17.266 -0.536 -8.611 1.00 0.00 N ATOM 135 CA HIS A 907 16.051 0.152 -8.195 1.00 0.00 C ATOM 136 C HIS A 907 14.920 -0.834 -7.952 1.00 0.00 C ATOM 137 O HIS A 907 14.681 -1.738 -8.753 1.00 0.00 O ATOM 138 CB HIS A 907 15.625 1.179 -9.239 1.00 0.00 C ATOM 139 CG HIS A 907 16.655 2.229 -9.494 1.00 0.00 C ATOM 140 ND1 HIS A 907 17.079 3.126 -8.538 1.00 0.00 N ATOM 141 CD2 HIS A 907 17.353 2.513 -10.610 1.00 0.00 C ATOM 142 CE1 HIS A 907 17.996 3.922 -9.061 1.00 0.00 C ATOM 143 NE2 HIS A 907 18.181 3.568 -10.319 1.00 0.00 N ATOM 0 H HIS A 907 17.455 -0.492 -9.612 1.00 0.00 H new ATOM 0 HA HIS A 907 16.270 0.668 -7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 907 15.402 0.665 -10.174 1.00 0.00 H new ATOM 0 HB3 HIS A 907 14.702 1.658 -8.911 1.00 0.00 H new ATOM 0 HD2 HIS A 907 17.275 2.004 -11.559 1.00 0.00 H new ATOM 0 HE1 HIS A 907 18.506 4.724 -8.547 1.00 0.00 H new ATOM 0 HE2 HIS A 907 18.833 4.007 -10.969 1.00 0.00 H new ATOM 152 N PHE A 908 14.223 -0.644 -6.843 1.00 0.00 N ATOM 153 CA PHE A 908 13.104 -1.507 -6.482 1.00 0.00 C ATOM 154 C PHE A 908 11.799 -0.971 -7.051 1.00 0.00 C ATOM 155 O PHE A 908 10.738 -1.557 -6.836 1.00 0.00 O ATOM 156 CB PHE A 908 12.989 -1.645 -4.964 1.00 0.00 C ATOM 157 CG PHE A 908 14.117 -2.412 -4.340 1.00 0.00 C ATOM 158 CD1 PHE A 908 15.417 -1.940 -4.405 1.00 0.00 C ATOM 159 CD2 PHE A 908 13.872 -3.605 -3.683 1.00 0.00 C ATOM 160 CE1 PHE A 908 16.454 -2.645 -3.824 1.00 0.00 C ATOM 161 CE2 PHE A 908 14.904 -4.315 -3.099 1.00 0.00 C ATOM 162 CZ PHE A 908 16.197 -3.834 -3.170 1.00 0.00 C ATOM 0 H PHE A 908 14.412 0.102 -6.174 1.00 0.00 H new ATOM 0 HA PHE A 908 13.295 -2.491 -6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 908 12.948 -0.650 -4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 908 12.048 -2.140 -4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 908 15.623 -1.011 -4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 908 12.863 -3.986 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 908 17.464 -2.267 -3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 908 14.700 -5.244 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.006 -4.387 -2.715 1.00 0.00 H new ATOM 172 N LEU A 909 11.893 0.141 -7.780 1.00 0.00 N ATOM 173 CA LEU A 909 10.726 0.774 -8.394 1.00 0.00 C ATOM 174 C LEU A 909 9.839 1.437 -7.348 1.00 0.00 C ATOM 175 O LEU A 909 9.659 2.655 -7.356 1.00 0.00 O ATOM 176 CB LEU A 909 9.906 -0.253 -9.177 1.00 0.00 C ATOM 177 CG LEU A 909 10.545 -0.776 -10.464 1.00 0.00 C ATOM 178 CD1 LEU A 909 11.916 -1.382 -10.199 1.00 0.00 C ATOM 179 CD2 LEU A 909 9.633 -1.805 -11.105 1.00 0.00 C ATOM 0 H LEU A 909 12.772 0.625 -7.961 1.00 0.00 H new ATOM 0 HA LEU A 909 11.093 1.541 -9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 909 9.703 -1.102 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 909 8.944 0.194 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 909 10.681 0.065 -11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 909 12.341 -1.744 -11.135 1.00 0.00 H new ATOM 0 HD12 LEU A 909 12.572 -0.624 -9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 909 11.818 -2.213 -9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 909 10.091 -2.176 -12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 909 9.479 -2.635 -10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 909 8.673 -1.345 -11.339 1.00 0.00 H new ATOM 191 N PHE A 910 9.284 0.630 -6.451 1.00 0.00 N ATOM 192 CA PHE A 910 8.415 1.142 -5.403 1.00 0.00 C ATOM 193 C PHE A 910 9.223 1.612 -4.201 1.00 0.00 C ATOM 194 O PHE A 910 8.719 1.638 -3.078 1.00 0.00 O ATOM 195 CB PHE A 910 7.405 0.068 -4.982 1.00 0.00 C ATOM 196 CG PHE A 910 8.015 -1.280 -4.691 1.00 0.00 C ATOM 197 CD1 PHE A 910 9.104 -1.405 -3.840 1.00 0.00 C ATOM 198 CD2 PHE A 910 7.492 -2.425 -5.271 1.00 0.00 C ATOM 199 CE1 PHE A 910 9.657 -2.642 -3.576 1.00 0.00 C ATOM 200 CE2 PHE A 910 8.042 -3.666 -5.011 1.00 0.00 C ATOM 201 CZ PHE A 910 9.126 -3.774 -4.162 1.00 0.00 C ATOM 0 H PHE A 910 9.421 -0.380 -6.430 1.00 0.00 H new ATOM 0 HA PHE A 910 7.873 2.001 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 910 6.875 0.413 -4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 910 6.663 -0.045 -5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 910 9.524 -0.524 -3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 910 6.644 -2.346 -5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 910 10.504 -2.724 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 910 7.625 -4.550 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 910 9.558 -4.742 -3.957 1.00 0.00 H new ATOM 211 N ALA A 911 10.475 1.989 -4.445 1.00 0.00 N ATOM 212 CA ALA A 911 11.349 2.465 -3.378 1.00 0.00 C ATOM 213 C ALA A 911 12.437 3.381 -3.928 1.00 0.00 C ATOM 214 O ALA A 911 13.231 2.978 -4.778 1.00 0.00 O ATOM 215 CB ALA A 911 11.969 1.288 -2.642 1.00 0.00 C ATOM 0 H ALA A 911 10.906 1.974 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 911 10.746 3.042 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 911 12.619 1.657 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.180 0.673 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.553 0.689 -3.341 1.00 0.00 H new ATOM 221 N LYS A 912 12.468 4.615 -3.435 1.00 0.00 N ATOM 222 CA LYS A 912 13.459 5.590 -3.873 1.00 0.00 C ATOM 223 C LYS A 912 14.563 5.772 -2.832 1.00 0.00 C ATOM 224 O LYS A 912 14.298 5.826 -1.631 1.00 0.00 O ATOM 225 CB LYS A 912 12.788 6.933 -4.173 1.00 0.00 C ATOM 226 CG LYS A 912 12.015 7.508 -2.998 1.00 0.00 C ATOM 227 CD LYS A 912 11.339 8.819 -3.368 1.00 0.00 C ATOM 228 CE LYS A 912 10.562 9.398 -2.197 1.00 0.00 C ATOM 229 NZ LYS A 912 9.896 10.681 -2.551 1.00 0.00 N ATOM 0 H LYS A 912 11.817 4.963 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 912 13.919 5.210 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 912 13.550 7.649 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 912 12.109 6.809 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 912 11.264 6.790 -2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 912 12.692 7.670 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 912 12.091 9.536 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 912 10.664 8.657 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 912 9.812 8.679 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 912 11.238 9.560 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 9.377 11.042 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 10.613 11.376 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 9.231 10.522 -3.335 1.00 0.00 H new ATOM 243 N LEU A 913 15.800 5.869 -3.315 1.00 0.00 N ATOM 244 CA LEU A 913 16.967 6.053 -2.454 1.00 0.00 C ATOM 245 C LEU A 913 16.717 7.141 -1.411 1.00 0.00 C ATOM 246 O LEU A 913 15.953 8.078 -1.648 1.00 0.00 O ATOM 247 CB LEU A 913 18.190 6.399 -3.320 1.00 0.00 C ATOM 248 CG LEU A 913 19.518 6.621 -2.578 1.00 0.00 C ATOM 249 CD1 LEU A 913 19.563 8.001 -1.937 1.00 0.00 C ATOM 250 CD2 LEU A 913 19.754 5.528 -1.544 1.00 0.00 C ATOM 0 H LEU A 913 16.021 5.823 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 913 17.158 5.124 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.334 5.596 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.962 7.301 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 913 20.324 6.568 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.513 8.131 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.463 8.764 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 913 18.745 8.098 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 913 20.700 5.708 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 913 18.942 5.534 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 913 19.789 4.559 -2.041 1.00 0.00 H new ATOM 262 N LYS A 914 17.366 7.011 -0.255 1.00 0.00 N ATOM 263 CA LYS A 914 17.214 7.984 0.822 1.00 0.00 C ATOM 264 C LYS A 914 18.571 8.288 1.453 1.00 0.00 C ATOM 265 O LYS A 914 18.921 9.449 1.670 1.00 0.00 O ATOM 266 CB LYS A 914 16.239 7.443 1.876 1.00 0.00 C ATOM 267 CG LYS A 914 15.732 8.486 2.864 1.00 0.00 C ATOM 268 CD LYS A 914 16.805 8.918 3.850 1.00 0.00 C ATOM 269 CE LYS A 914 16.268 9.936 4.844 1.00 0.00 C ATOM 270 NZ LYS A 914 17.309 10.365 5.818 1.00 0.00 N ATOM 0 H LYS A 914 18.001 6.242 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 914 16.810 8.910 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 914 15.384 6.998 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 914 16.731 6.644 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 914 15.373 9.357 2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 914 14.881 8.081 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 914 17.180 8.047 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 914 17.648 9.346 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 914 15.894 10.807 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 914 15.423 9.507 5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 16.902 11.059 6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 17.648 9.538 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 18.105 10.798 5.307 1.00 0.00 H new ATOM 284 N THR A 915 19.337 7.239 1.731 1.00 0.00 N ATOM 285 CA THR A 915 20.665 7.387 2.322 1.00 0.00 C ATOM 286 C THR A 915 21.645 8.021 1.342 1.00 0.00 C ATOM 287 O THR A 915 21.659 7.680 0.160 1.00 0.00 O ATOM 288 CB THR A 915 21.231 6.026 2.775 1.00 0.00 C ATOM 289 OG1 THR A 915 20.641 5.638 4.020 1.00 0.00 O ATOM 290 CG2 THR A 915 22.749 6.075 2.910 1.00 0.00 C ATOM 0 H THR A 915 19.061 6.273 1.556 1.00 0.00 H new ATOM 0 HA THR A 915 20.549 8.039 3.188 1.00 0.00 H new ATOM 0 HB THR A 915 20.983 5.288 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 915 21.207 4.966 4.455 1.00 0.00 H new ATOM 0 HG21 THR A 915 23.117 5.101 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 915 23.192 6.332 1.948 1.00 0.00 H new ATOM 0 HG23 THR A 915 23.024 6.828 3.648 1.00 0.00 H new ATOM 298 N GLN A 916 22.483 8.926 1.844 1.00 0.00 N ATOM 299 CA GLN A 916 23.480 9.576 1.003 1.00 0.00 C ATOM 300 C GLN A 916 24.378 8.516 0.380 1.00 0.00 C ATOM 301 O GLN A 916 25.126 7.835 1.081 1.00 0.00 O ATOM 302 CB GLN A 916 24.327 10.562 1.816 1.00 0.00 C ATOM 303 CG GLN A 916 23.512 11.582 2.597 1.00 0.00 C ATOM 304 CD GLN A 916 22.948 11.030 3.896 1.00 0.00 C ATOM 305 OE1 GLN A 916 22.138 11.681 4.556 1.00 0.00 O ATOM 306 NE2 GLN A 916 23.387 9.834 4.284 1.00 0.00 N ATOM 0 H GLN A 916 22.490 9.222 2.820 1.00 0.00 H new ATOM 0 HA GLN A 916 22.967 10.135 0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 916 24.951 10.001 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 916 24.999 11.090 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 916 24.139 12.446 2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 916 22.691 11.936 1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 916 24.059 9.326 3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 916 23.052 9.426 5.157 1.00 0.00 H new ATOM 315 N THR A 917 24.283 8.362 -0.933 1.00 0.00 N ATOM 316 CA THR A 917 25.071 7.361 -1.637 1.00 0.00 C ATOM 317 C THR A 917 26.476 7.858 -1.957 1.00 0.00 C ATOM 318 O THR A 917 26.659 8.966 -2.461 1.00 0.00 O ATOM 319 CB THR A 917 24.382 6.921 -2.936 1.00 0.00 C ATOM 320 OG1 THR A 917 24.273 8.025 -3.839 1.00 0.00 O ATOM 321 CG2 THR A 917 23.000 6.356 -2.647 1.00 0.00 C ATOM 0 H THR A 917 23.670 8.916 -1.531 1.00 0.00 H new ATOM 0 HA THR A 917 25.152 6.507 -0.964 1.00 0.00 H new ATOM 0 HB THR A 917 24.990 6.142 -3.396 1.00 0.00 H new ATOM 0 HG1 THR A 917 23.833 7.731 -4.664 1.00 0.00 H new ATOM 0 HG21 THR A 917 22.529 6.050 -3.581 1.00 0.00 H new ATOM 0 HG22 THR A 917 23.090 5.493 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 917 22.388 7.119 -2.165 1.00 0.00 H new ATOM 329 N THR A 918 27.464 7.017 -1.665 1.00 0.00 N ATOM 330 CA THR A 918 28.860 7.347 -1.919 1.00 0.00 C ATOM 331 C THR A 918 29.286 6.901 -3.317 1.00 0.00 C ATOM 332 O THR A 918 29.879 5.834 -3.484 1.00 0.00 O ATOM 333 CB THR A 918 29.787 6.694 -0.877 1.00 0.00 C ATOM 334 OG1 THR A 918 29.651 5.269 -0.921 1.00 0.00 O ATOM 335 CG2 THR A 918 29.462 7.195 0.523 1.00 0.00 C ATOM 0 H THR A 918 27.320 6.097 -1.250 1.00 0.00 H new ATOM 0 HA THR A 918 28.949 8.431 -1.845 1.00 0.00 H new ATOM 0 HB THR A 918 30.815 6.967 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 918 29.651 4.969 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 918 30.129 6.721 1.243 1.00 0.00 H new ATOM 0 HG22 THR A 918 29.595 8.276 0.563 1.00 0.00 H new ATOM 0 HG23 THR A 918 28.429 6.947 0.767 1.00 0.00 H new ATOM 343 N ALA A 919 28.984 7.725 -4.316 1.00 0.00 N ATOM 344 CA ALA A 919 29.338 7.422 -5.699 1.00 0.00 C ATOM 345 C ALA A 919 28.690 6.127 -6.172 1.00 0.00 C ATOM 346 O ALA A 919 27.629 5.736 -5.684 1.00 0.00 O ATOM 347 CB ALA A 919 30.849 7.348 -5.836 1.00 0.00 C ATOM 0 H ALA A 919 28.493 8.611 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 919 28.959 8.223 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 919 31.110 7.122 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 919 31.287 8.305 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 919 31.235 6.564 -5.184 1.00 0.00 H new ATOM 353 N SER A 920 29.333 5.470 -7.129 1.00 0.00 N ATOM 354 CA SER A 920 28.822 4.219 -7.679 1.00 0.00 C ATOM 355 C SER A 920 29.287 3.030 -6.847 1.00 0.00 C ATOM 356 O SER A 920 28.489 2.168 -6.483 1.00 0.00 O ATOM 357 CB SER A 920 29.275 4.049 -9.130 1.00 0.00 C ATOM 358 OG SER A 920 30.688 4.019 -9.224 1.00 0.00 O ATOM 0 H SER A 920 30.212 5.783 -7.542 1.00 0.00 H new ATOM 0 HA SER A 920 27.733 4.258 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 920 28.861 3.127 -9.538 1.00 0.00 H new ATOM 0 HB3 SER A 920 28.885 4.868 -9.734 1.00 0.00 H new ATOM 0 HG SER A 920 30.951 3.908 -10.161 1.00 0.00 H new ATOM 364 N ASP A 921 30.580 2.993 -6.539 1.00 0.00 N ATOM 365 CA ASP A 921 31.138 1.910 -5.737 1.00 0.00 C ATOM 366 C ASP A 921 30.974 2.217 -4.253 1.00 0.00 C ATOM 367 O ASP A 921 31.442 3.248 -3.770 1.00 0.00 O ATOM 368 CB ASP A 921 32.617 1.704 -6.072 1.00 0.00 C ATOM 369 CG ASP A 921 32.835 1.341 -7.528 1.00 0.00 C ATOM 370 OD1 ASP A 921 32.300 0.301 -7.968 1.00 0.00 O ATOM 371 OD2 ASP A 921 33.539 2.097 -8.230 1.00 0.00 O ATOM 0 H ASP A 921 31.258 3.697 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 921 30.598 0.992 -5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 921 33.169 2.615 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 921 33.024 0.915 -5.439 1.00 0.00 H new ATOM 376 N PHE A 922 30.296 1.327 -3.536 1.00 0.00 N ATOM 377 CA PHE A 922 30.063 1.523 -2.109 1.00 0.00 C ATOM 378 C PHE A 922 30.968 0.646 -1.254 1.00 0.00 C ATOM 379 O PHE A 922 31.139 -0.542 -1.525 1.00 0.00 O ATOM 380 CB PHE A 922 28.602 1.249 -1.763 1.00 0.00 C ATOM 381 CG PHE A 922 27.655 2.197 -2.430 1.00 0.00 C ATOM 382 CD1 PHE A 922 27.273 2.008 -3.747 1.00 0.00 C ATOM 383 CD2 PHE A 922 27.147 3.280 -1.736 1.00 0.00 C ATOM 384 CE1 PHE A 922 26.400 2.884 -4.361 1.00 0.00 C ATOM 385 CE2 PHE A 922 26.276 4.160 -2.343 1.00 0.00 C ATOM 386 CZ PHE A 922 25.900 3.962 -3.658 1.00 0.00 C ATOM 0 H PHE A 922 29.900 0.467 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 922 30.301 2.563 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 922 28.351 0.229 -2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.472 1.314 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 922 27.662 1.166 -4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.436 3.438 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 922 26.109 2.726 -5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 922 25.888 5.003 -1.791 1.00 0.00 H new ATOM 0 HZ PHE A 922 25.217 4.649 -4.135 1.00 0.00 H new ATOM 396 N PRO A 923 31.546 1.226 -0.188 1.00 0.00 N ATOM 397 CA PRO A 923 32.423 0.495 0.731 1.00 0.00 C ATOM 398 C PRO A 923 31.651 -0.541 1.542 1.00 0.00 C ATOM 399 O PRO A 923 30.560 -0.260 2.038 1.00 0.00 O ATOM 400 CB PRO A 923 32.971 1.591 1.648 1.00 0.00 C ATOM 401 CG PRO A 923 31.945 2.670 1.603 1.00 0.00 C ATOM 402 CD PRO A 923 31.373 2.636 0.214 1.00 0.00 C ATOM 0 HA PRO A 923 33.199 -0.062 0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.114 1.223 2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.939 1.951 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.169 2.502 2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.390 3.641 1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.324 2.932 0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.902 3.314 -0.456 1.00 0.00 H new ATOM 410 N ILE A 924 32.216 -1.735 1.670 1.00 0.00 N ATOM 411 CA ILE A 924 31.568 -2.804 2.419 1.00 0.00 C ATOM 412 C ILE A 924 31.269 -2.367 3.848 1.00 0.00 C ATOM 413 O ILE A 924 32.033 -1.618 4.456 1.00 0.00 O ATOM 414 CB ILE A 924 32.413 -4.087 2.434 1.00 0.00 C ATOM 415 CG1 ILE A 924 32.848 -4.452 1.012 1.00 0.00 C ATOM 416 CG2 ILE A 924 31.602 -5.214 3.047 1.00 0.00 C ATOM 417 CD1 ILE A 924 33.751 -5.665 0.943 1.00 0.00 C ATOM 0 H ILE A 924 33.118 -1.987 1.266 1.00 0.00 H new ATOM 0 HA ILE A 924 30.629 -3.022 1.909 1.00 0.00 H new ATOM 0 HB ILE A 924 33.309 -3.924 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 924 31.961 -4.636 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 924 33.365 -3.600 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 924 32.198 -6.126 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 924 31.323 -4.949 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 924 30.701 -5.377 2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 924 34.017 -5.862 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 924 34.656 -5.478 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 924 33.231 -6.530 1.354 1.00 0.00 H new ATOM 429 N GLY A 925 30.130 -2.818 4.361 1.00 0.00 N ATOM 430 CA GLY A 925 29.709 -2.448 5.697 1.00 0.00 C ATOM 431 C GLY A 925 28.646 -1.373 5.642 1.00 0.00 C ATOM 432 O GLY A 925 27.657 -1.418 6.374 1.00 0.00 O ATOM 0 H GLY A 925 29.487 -3.438 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 925 29.322 -3.324 6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 925 30.566 -2.091 6.268 1.00 0.00 H new ATOM 436 N THR A 926 28.853 -0.417 4.745 1.00 0.00 N ATOM 437 CA THR A 926 27.918 0.680 4.541 1.00 0.00 C ATOM 438 C THR A 926 26.527 0.157 4.188 1.00 0.00 C ATOM 439 O THR A 926 26.393 -0.855 3.500 1.00 0.00 O ATOM 440 CB THR A 926 28.413 1.613 3.420 1.00 0.00 C ATOM 441 OG1 THR A 926 29.553 2.357 3.867 1.00 0.00 O ATOM 442 CG2 THR A 926 27.317 2.564 2.973 1.00 0.00 C ATOM 0 H THR A 926 29.673 -0.381 4.140 1.00 0.00 H new ATOM 0 HA THR A 926 27.858 1.239 5.475 1.00 0.00 H new ATOM 0 HB THR A 926 28.696 0.996 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 926 29.492 3.278 3.538 1.00 0.00 H new ATOM 0 HG21 THR A 926 27.696 3.210 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.468 1.991 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 926 26.998 3.175 3.818 1.00 0.00 H new ATOM 450 N SER A 927 25.494 0.848 4.664 1.00 0.00 N ATOM 451 CA SER A 927 24.118 0.443 4.392 1.00 0.00 C ATOM 452 C SER A 927 23.310 1.594 3.798 1.00 0.00 C ATOM 453 O SER A 927 23.274 2.691 4.355 1.00 0.00 O ATOM 454 CB SER A 927 23.451 -0.046 5.679 1.00 0.00 C ATOM 455 OG SER A 927 24.172 -1.124 6.249 1.00 0.00 O ATOM 0 H SER A 927 25.583 1.687 5.237 1.00 0.00 H new ATOM 0 HA SER A 927 24.144 -0.368 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 927 23.390 0.774 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 927 22.429 -0.360 5.466 1.00 0.00 H new ATOM 0 HG SER A 927 23.603 -1.921 6.275 1.00 0.00 H new ATOM 461 N LEU A 928 22.657 1.333 2.668 1.00 0.00 N ATOM 462 CA LEU A 928 21.841 2.347 2.004 1.00 0.00 C ATOM 463 C LEU A 928 20.360 2.140 2.305 1.00 0.00 C ATOM 464 O LEU A 928 19.803 1.081 2.017 1.00 0.00 O ATOM 465 CB LEU A 928 22.059 2.308 0.492 1.00 0.00 C ATOM 466 CG LEU A 928 23.478 2.627 0.020 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.558 2.524 -1.494 1.00 0.00 C ATOM 468 CD2 LEU A 928 23.902 4.012 0.482 1.00 0.00 C ATOM 0 H LEU A 928 22.677 0.430 2.194 1.00 0.00 H new ATOM 0 HA LEU A 928 22.148 3.320 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 928 21.789 1.316 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.373 3.015 0.026 1.00 0.00 H new ATOM 0 HG LEU A 928 24.161 1.900 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 928 24.572 2.753 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 928 23.296 1.512 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 928 22.863 3.233 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 928 24.915 4.217 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.220 4.757 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 928 23.876 4.056 1.571 1.00 0.00 H new ATOM 480 N LYS A 929 19.726 3.158 2.875 1.00 0.00 N ATOM 481 CA LYS A 929 18.308 3.080 3.203 1.00 0.00 C ATOM 482 C LYS A 929 17.444 3.510 2.024 1.00 0.00 C ATOM 483 O LYS A 929 17.625 4.595 1.465 1.00 0.00 O ATOM 484 CB LYS A 929 17.990 3.956 4.416 1.00 0.00 C ATOM 485 CG LYS A 929 18.723 3.534 5.679 1.00 0.00 C ATOM 486 CD LYS A 929 18.376 4.430 6.858 1.00 0.00 C ATOM 487 CE LYS A 929 18.783 5.874 6.607 1.00 0.00 C ATOM 488 NZ LYS A 929 18.432 6.757 7.754 1.00 0.00 N ATOM 0 H LYS A 929 20.169 4.044 3.119 1.00 0.00 H new ATOM 0 HA LYS A 929 18.081 2.040 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 929 18.247 4.990 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 929 16.916 3.928 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 929 18.469 2.502 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 929 19.798 3.565 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 929 17.304 4.382 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 929 18.875 4.062 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 929 19.857 5.922 6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 929 18.292 6.238 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 18.726 7.732 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 17.404 6.731 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 18.921 6.425 8.610 1.00 0.00 H new ATOM 502 N TYR A 930 16.493 2.657 1.660 1.00 0.00 N ATOM 503 CA TYR A 930 15.582 2.956 0.559 1.00 0.00 C ATOM 504 C TYR A 930 14.148 3.052 1.063 1.00 0.00 C ATOM 505 O TYR A 930 13.609 2.092 1.612 1.00 0.00 O ATOM 506 CB TYR A 930 15.680 1.889 -0.535 1.00 0.00 C ATOM 507 CG TYR A 930 16.929 1.988 -1.384 1.00 0.00 C ATOM 508 CD1 TYR A 930 18.192 2.004 -0.805 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.841 2.066 -2.768 1.00 0.00 C ATOM 510 CE1 TYR A 930 19.331 2.096 -1.584 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.975 2.158 -3.552 1.00 0.00 C ATOM 512 CZ TYR A 930 19.217 2.172 -2.955 1.00 0.00 C ATOM 513 OH TYR A 930 20.348 2.267 -3.733 1.00 0.00 O ATOM 0 H TYR A 930 16.332 1.755 2.109 1.00 0.00 H new ATOM 0 HA TYR A 930 15.873 3.917 0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.646 0.903 -0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.806 1.966 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.286 1.944 0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.869 2.055 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 930 20.306 2.108 -1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.889 2.219 -4.627 1.00 0.00 H new ATOM 0 HH TYR A 930 20.092 2.311 -4.678 1.00 0.00 H new ATOM 523 N GLU A 931 13.531 4.214 0.870 1.00 0.00 N ATOM 524 CA GLU A 931 12.156 4.426 1.305 1.00 0.00 C ATOM 525 C GLU A 931 11.184 4.165 0.162 1.00 0.00 C ATOM 526 O GLU A 931 11.334 4.709 -0.930 1.00 0.00 O ATOM 527 CB GLU A 931 11.974 5.848 1.840 1.00 0.00 C ATOM 528 CG GLU A 931 12.328 6.932 0.836 1.00 0.00 C ATOM 529 CD GLU A 931 12.075 8.328 1.374 1.00 0.00 C ATOM 530 OE1 GLU A 931 12.683 8.686 2.404 1.00 0.00 O ATOM 531 OE2 GLU A 931 11.270 9.062 0.766 1.00 0.00 O ATOM 0 H GLU A 931 13.961 5.020 0.417 1.00 0.00 H new ATOM 0 HA GLU A 931 11.942 3.722 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 931 10.938 5.979 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 931 12.592 5.973 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 931 13.378 6.838 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 931 11.745 6.785 -0.073 1.00 0.00 H new ATOM 538 N CYS A 932 10.191 3.320 0.420 1.00 0.00 N ATOM 539 CA CYS A 932 9.195 2.976 -0.587 1.00 0.00 C ATOM 540 C CYS A 932 8.458 4.214 -1.092 1.00 0.00 C ATOM 541 O CYS A 932 8.791 5.343 -0.731 1.00 0.00 O ATOM 542 CB CYS A 932 8.194 1.970 -0.015 1.00 0.00 C ATOM 543 SG CYS A 932 8.963 0.464 0.662 1.00 0.00 S ATOM 0 H CYS A 932 10.055 2.860 1.320 1.00 0.00 H new ATOM 0 HA CYS A 932 9.717 2.528 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 932 7.616 2.455 0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.491 1.686 -0.799 1.00 0.00 H new ATOM 548 N ARG A 933 7.446 3.989 -1.925 1.00 0.00 N ATOM 549 CA ARG A 933 6.649 5.077 -2.480 1.00 0.00 C ATOM 550 C ARG A 933 5.543 5.477 -1.503 1.00 0.00 C ATOM 551 O ARG A 933 5.187 4.700 -0.617 1.00 0.00 O ATOM 552 CB ARG A 933 6.042 4.661 -3.823 1.00 0.00 C ATOM 553 CG ARG A 933 7.079 4.291 -4.872 1.00 0.00 C ATOM 554 CD ARG A 933 6.424 3.866 -6.178 1.00 0.00 C ATOM 555 NE ARG A 933 5.601 4.928 -6.752 1.00 0.00 N ATOM 556 CZ ARG A 933 6.077 6.109 -7.140 1.00 0.00 C ATOM 557 NH1 ARG A 933 7.371 6.379 -7.029 1.00 0.00 N ATOM 558 NH2 ARG A 933 5.257 7.021 -7.643 1.00 0.00 N ATOM 0 H ARG A 933 7.158 3.059 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 933 7.300 5.936 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 933 5.379 3.811 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 933 5.428 5.478 -4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 933 7.735 5.143 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 933 7.704 3.481 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 933 7.195 3.579 -6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 933 5.807 2.984 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 933 4.602 4.754 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 933 8.007 5.680 -6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 933 7.730 7.286 -7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 933 4.261 6.818 -7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 933 5.622 7.926 -7.940 1.00 0.00 H new ATOM 572 N PRO A 934 4.989 6.697 -1.642 1.00 0.00 N ATOM 573 CA PRO A 934 3.929 7.186 -0.756 1.00 0.00 C ATOM 574 C PRO A 934 2.836 6.147 -0.526 1.00 0.00 C ATOM 575 O PRO A 934 2.447 5.887 0.612 1.00 0.00 O ATOM 576 CB PRO A 934 3.371 8.391 -1.511 1.00 0.00 C ATOM 577 CG PRO A 934 4.521 8.900 -2.310 1.00 0.00 C ATOM 578 CD PRO A 934 5.358 7.697 -2.665 1.00 0.00 C ATOM 0 HA PRO A 934 4.305 7.423 0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.538 8.105 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 934 2.998 9.151 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 934 4.174 9.411 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 934 5.102 9.622 -1.737 1.00 0.00 H new ATOM 0 HD2 PRO A 934 5.139 7.340 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.423 7.927 -2.634 1.00 0.00 H new ATOM 586 N GLU A 935 2.347 5.554 -1.611 1.00 0.00 N ATOM 587 CA GLU A 935 1.302 4.536 -1.523 1.00 0.00 C ATOM 588 C GLU A 935 1.861 3.209 -1.008 1.00 0.00 C ATOM 589 O GLU A 935 1.349 2.142 -1.345 1.00 0.00 O ATOM 590 CB GLU A 935 0.654 4.329 -2.893 1.00 0.00 C ATOM 591 CG GLU A 935 0.026 5.588 -3.468 1.00 0.00 C ATOM 592 CD GLU A 935 -0.584 5.364 -4.839 1.00 0.00 C ATOM 593 OE1 GLU A 935 -0.511 4.224 -5.344 1.00 0.00 O ATOM 594 OE2 GLU A 935 -1.135 6.330 -5.408 1.00 0.00 O ATOM 0 H GLU A 935 2.656 5.760 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 935 0.551 4.887 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 935 1.407 3.959 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.111 3.557 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 935 -0.744 5.949 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.783 6.369 -3.535 1.00 0.00 H new ATOM 601 N TYR A 936 2.916 3.282 -0.197 1.00 0.00 N ATOM 602 CA TYR A 936 3.549 2.087 0.361 1.00 0.00 C ATOM 603 C TYR A 936 3.990 2.328 1.803 1.00 0.00 C ATOM 604 O TYR A 936 4.317 3.452 2.182 1.00 0.00 O ATOM 605 CB TYR A 936 4.772 1.669 -0.469 1.00 0.00 C ATOM 606 CG TYR A 936 4.460 1.210 -1.878 1.00 0.00 C ATOM 607 CD1 TYR A 936 3.966 2.092 -2.829 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.677 -0.108 -2.259 1.00 0.00 C ATOM 609 CE1 TYR A 936 3.691 1.675 -4.116 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.407 -0.533 -3.545 1.00 0.00 C ATOM 611 CZ TYR A 936 3.914 0.362 -4.470 1.00 0.00 C ATOM 612 OH TYR A 936 3.643 -0.058 -5.752 1.00 0.00 O ATOM 0 H TYR A 936 3.352 4.159 0.089 1.00 0.00 H new ATOM 0 HA TYR A 936 2.808 1.288 0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.462 2.511 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 936 5.290 0.864 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 936 3.794 3.123 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 936 5.063 -0.812 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 936 3.303 2.374 -4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.581 -1.562 -3.824 1.00 0.00 H new ATOM 0 HH TYR A 936 3.857 -1.011 -5.836 1.00 0.00 H new ATOM 622 N TYR A 937 4.008 1.261 2.596 1.00 0.00 N ATOM 623 CA TYR A 937 4.421 1.349 3.992 1.00 0.00 C ATOM 624 C TYR A 937 5.316 0.168 4.356 1.00 0.00 C ATOM 625 O TYR A 937 5.034 -0.973 3.986 1.00 0.00 O ATOM 626 CB TYR A 937 3.194 1.399 4.917 1.00 0.00 C ATOM 627 CG TYR A 937 2.420 0.097 5.017 1.00 0.00 C ATOM 628 CD1 TYR A 937 2.853 -0.931 5.847 1.00 0.00 C ATOM 629 CD2 TYR A 937 1.258 -0.104 4.283 1.00 0.00 C ATOM 630 CE1 TYR A 937 2.152 -2.119 5.940 1.00 0.00 C ATOM 631 CE2 TYR A 937 0.551 -1.289 4.371 1.00 0.00 C ATOM 632 CZ TYR A 937 1.003 -2.292 5.201 1.00 0.00 C ATOM 633 OH TYR A 937 0.302 -3.473 5.292 1.00 0.00 O ATOM 0 H TYR A 937 3.741 0.324 2.295 1.00 0.00 H new ATOM 0 HA TYR A 937 4.989 2.270 4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 937 3.521 1.689 5.916 1.00 0.00 H new ATOM 0 HB3 TYR A 937 2.521 2.180 4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 937 3.753 -0.799 6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 937 0.900 0.680 3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.504 -2.907 6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.350 -1.428 3.793 1.00 0.00 H new ATOM 0 HH TYR A 937 -0.484 -3.433 4.708 1.00 0.00 H new ATOM 643 N GLY A 938 6.400 0.442 5.076 1.00 0.00 N ATOM 644 CA GLY A 938 7.309 -0.619 5.468 1.00 0.00 C ATOM 645 C GLY A 938 8.665 -0.108 5.910 1.00 0.00 C ATOM 646 O GLY A 938 9.602 -0.889 6.077 1.00 0.00 O ATOM 0 H GLY A 938 6.664 1.375 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.861 -1.191 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.441 -1.304 4.630 1.00 0.00 H new ATOM 650 N ARG A 939 8.768 1.204 6.104 1.00 0.00 N ATOM 651 CA ARG A 939 10.017 1.825 6.535 1.00 0.00 C ATOM 652 C ARG A 939 11.139 1.610 5.526 1.00 0.00 C ATOM 653 O ARG A 939 11.164 0.618 4.798 1.00 0.00 O ATOM 654 CB ARG A 939 10.446 1.282 7.896 1.00 0.00 C ATOM 655 CG ARG A 939 9.491 1.642 9.015 1.00 0.00 C ATOM 656 CD ARG A 939 9.997 1.123 10.349 1.00 0.00 C ATOM 657 NE ARG A 939 11.255 1.754 10.744 1.00 0.00 N ATOM 658 CZ ARG A 939 11.378 3.050 11.018 1.00 0.00 C ATOM 659 NH1 ARG A 939 10.322 3.849 10.963 1.00 0.00 N ATOM 660 NH2 ARG A 939 12.561 3.547 11.355 1.00 0.00 N ATOM 0 H ARG A 939 7.998 1.860 5.969 1.00 0.00 H new ATOM 0 HA ARG A 939 9.829 2.896 6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.531 0.197 7.836 1.00 0.00 H new ATOM 0 HB3 ARG A 939 11.437 1.666 8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 939 9.373 2.724 9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 939 8.507 1.223 8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 939 9.245 1.304 11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 939 10.137 0.044 10.288 1.00 0.00 H new ATOM 0 HE ARG A 939 12.086 1.167 10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 939 9.409 3.471 10.710 1.00 0.00 H new ATOM 0 HH12 ARG A 939 10.422 4.842 11.174 1.00 0.00 H new ATOM 0 HH21 ARG A 939 13.376 2.935 11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 939 12.656 4.541 11.565 1.00 0.00 H new ATOM 674 N PRO A 940 12.097 2.547 5.485 1.00 0.00 N ATOM 675 CA PRO A 940 13.243 2.469 4.580 1.00 0.00 C ATOM 676 C PRO A 940 14.165 1.316 4.955 1.00 0.00 C ATOM 677 O PRO A 940 14.720 1.291 6.055 1.00 0.00 O ATOM 678 CB PRO A 940 13.963 3.813 4.774 1.00 0.00 C ATOM 679 CG PRO A 940 13.018 4.674 5.551 1.00 0.00 C ATOM 680 CD PRO A 940 12.142 3.741 6.334 1.00 0.00 C ATOM 0 HA PRO A 940 12.941 2.291 3.548 1.00 0.00 H new ATOM 0 HB2 PRO A 940 14.902 3.679 5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 940 14.207 4.268 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 940 13.561 5.346 6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 940 12.423 5.298 4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 940 12.560 3.523 7.317 1.00 0.00 H new ATOM 0 HD3 PRO A 940 11.149 4.160 6.496 1.00 0.00 H new ATOM 688 N PHE A 941 14.320 0.356 4.050 1.00 0.00 N ATOM 689 CA PHE A 941 15.171 -0.797 4.317 1.00 0.00 C ATOM 690 C PHE A 941 16.609 -0.555 3.868 1.00 0.00 C ATOM 691 O PHE A 941 16.892 -0.394 2.679 1.00 0.00 O ATOM 692 CB PHE A 941 14.593 -2.053 3.656 1.00 0.00 C ATOM 693 CG PHE A 941 14.344 -1.924 2.180 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.330 -2.252 1.263 1.00 0.00 C ATOM 695 CD2 PHE A 941 13.121 -1.476 1.711 1.00 0.00 C ATOM 696 CE1 PHE A 941 15.100 -2.136 -0.093 1.00 0.00 C ATOM 697 CE2 PHE A 941 12.884 -1.358 0.355 1.00 0.00 C ATOM 698 CZ PHE A 941 13.875 -1.689 -0.548 1.00 0.00 C ATOM 0 H PHE A 941 13.872 0.353 3.134 1.00 0.00 H new ATOM 0 HA PHE A 941 15.193 -0.951 5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.278 -2.884 3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.655 -2.308 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 941 16.290 -2.602 1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 941 12.343 -1.216 2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 941 15.877 -2.394 -0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 941 11.925 -1.008 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 941 13.692 -1.598 -1.609 1.00 0.00 H new ATOM 708 N SER A 942 17.514 -0.533 4.841 1.00 0.00 N ATOM 709 CA SER A 942 18.932 -0.328 4.577 1.00 0.00 C ATOM 710 C SER A 942 19.586 -1.610 4.065 1.00 0.00 C ATOM 711 O SER A 942 19.428 -2.673 4.667 1.00 0.00 O ATOM 712 CB SER A 942 19.644 0.150 5.845 1.00 0.00 C ATOM 713 OG SER A 942 19.520 -0.801 6.888 1.00 0.00 O ATOM 0 H SER A 942 17.287 -0.656 5.828 1.00 0.00 H new ATOM 0 HA SER A 942 19.024 0.436 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 942 20.698 0.324 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 942 19.223 1.103 6.165 1.00 0.00 H new ATOM 0 HG SER A 942 19.434 -1.698 6.504 1.00 0.00 H new ATOM 719 N ILE A 943 20.341 -1.508 2.977 1.00 0.00 N ATOM 720 CA ILE A 943 21.033 -2.669 2.428 1.00 0.00 C ATOM 721 C ILE A 943 22.509 -2.643 2.810 1.00 0.00 C ATOM 722 O ILE A 943 23.255 -1.749 2.409 1.00 0.00 O ATOM 723 CB ILE A 943 20.881 -2.764 0.900 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.995 -1.385 0.253 1.00 0.00 C ATOM 725 CG2 ILE A 943 19.553 -3.411 0.546 1.00 0.00 C ATOM 726 CD1 ILE A 943 20.775 -1.410 -1.245 1.00 0.00 C ATOM 0 H ILE A 943 20.489 -0.641 2.461 1.00 0.00 H new ATOM 0 HA ILE A 943 20.567 -3.555 2.860 1.00 0.00 H new ATOM 0 HB ILE A 943 21.689 -3.385 0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 943 20.267 -0.715 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.982 -0.973 0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 943 19.456 -3.473 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 943 19.512 -4.413 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 943 18.737 -2.811 0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 943 20.869 -0.400 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 943 21.520 -2.055 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 943 19.777 -1.793 -1.460 1.00 0.00 H new ATOM 738 N THR A 944 22.907 -3.619 3.618 1.00 0.00 N ATOM 739 CA THR A 944 24.277 -3.726 4.108 1.00 0.00 C ATOM 740 C THR A 944 25.228 -4.407 3.127 1.00 0.00 C ATOM 741 O THR A 944 25.004 -5.553 2.731 1.00 0.00 O ATOM 742 CB THR A 944 24.302 -4.515 5.436 1.00 0.00 C ATOM 743 OG1 THR A 944 23.898 -3.672 6.520 1.00 0.00 O ATOM 744 CG2 THR A 944 25.680 -5.099 5.713 1.00 0.00 C ATOM 0 H THR A 944 22.289 -4.359 3.952 1.00 0.00 H new ATOM 0 HA THR A 944 24.625 -2.702 4.246 1.00 0.00 H new ATOM 0 HB THR A 944 23.600 -5.343 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 944 23.916 -4.183 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 944 25.660 -5.647 6.655 1.00 0.00 H new ATOM 0 HG22 THR A 944 25.957 -5.776 4.905 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.411 -4.293 5.778 1.00 0.00 H new ATOM 752 N CYS A 945 26.336 -3.736 2.803 1.00 0.00 N ATOM 753 CA CYS A 945 27.350 -4.344 1.951 1.00 0.00 C ATOM 754 C CYS A 945 28.060 -5.377 2.816 1.00 0.00 C ATOM 755 O CYS A 945 28.678 -5.037 3.823 1.00 0.00 O ATOM 756 CB CYS A 945 28.330 -3.298 1.413 1.00 0.00 C ATOM 757 SG CYS A 945 29.521 -3.946 0.192 1.00 0.00 S ATOM 0 H CYS A 945 26.548 -2.788 3.113 1.00 0.00 H new ATOM 0 HA CYS A 945 26.900 -4.807 1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 945 27.763 -2.487 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 945 28.882 -2.869 2.250 1.00 0.00 H new ATOM 762 N LEU A 946 27.877 -6.640 2.486 1.00 0.00 N ATOM 763 CA LEU A 946 28.406 -7.724 3.303 1.00 0.00 C ATOM 764 C LEU A 946 29.871 -8.066 3.094 1.00 0.00 C ATOM 765 O LEU A 946 30.671 -7.936 4.022 1.00 0.00 O ATOM 766 CB LEU A 946 27.514 -8.936 3.107 1.00 0.00 C ATOM 767 CG LEU A 946 26.088 -8.668 3.573 1.00 0.00 C ATOM 768 CD1 LEU A 946 25.146 -9.796 3.206 1.00 0.00 C ATOM 769 CD2 LEU A 946 26.095 -8.417 5.068 1.00 0.00 C ATOM 0 H LEU A 946 27.366 -6.945 1.658 1.00 0.00 H new ATOM 0 HA LEU A 946 28.389 -7.375 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 946 27.506 -9.215 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 946 27.924 -9.782 3.658 1.00 0.00 H new ATOM 0 HG LEU A 946 25.714 -7.782 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 946 24.142 -9.561 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 946 25.131 -9.920 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 946 25.487 -10.721 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 946 25.078 -8.224 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 946 26.491 -9.293 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 946 26.722 -7.553 5.289 1.00 0.00 H new ATOM 781 N ASP A 947 30.218 -8.536 1.912 1.00 0.00 N ATOM 782 CA ASP A 947 31.596 -8.939 1.637 1.00 0.00 C ATOM 783 C ASP A 947 31.701 -9.582 0.264 1.00 0.00 C ATOM 784 O ASP A 947 32.721 -9.462 -0.415 1.00 0.00 O ATOM 785 CB ASP A 947 32.057 -9.931 2.709 1.00 0.00 C ATOM 786 CG ASP A 947 33.485 -10.406 2.512 1.00 0.00 C ATOM 787 OD1 ASP A 947 34.164 -9.899 1.594 1.00 0.00 O ATOM 788 OD2 ASP A 947 33.930 -11.279 3.286 1.00 0.00 O ATOM 0 H ASP A 947 29.576 -8.650 1.128 1.00 0.00 H new ATOM 0 HA ASP A 947 32.233 -8.055 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 947 31.969 -9.463 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 947 31.391 -10.794 2.707 1.00 0.00 H new ATOM 793 N ASN A 948 30.632 -10.246 -0.150 1.00 0.00 N ATOM 794 CA ASN A 948 30.600 -10.885 -1.453 1.00 0.00 C ATOM 795 C ASN A 948 30.324 -9.824 -2.509 1.00 0.00 C ATOM 796 O ASN A 948 30.068 -10.125 -3.675 1.00 0.00 O ATOM 797 CB ASN A 948 29.521 -11.972 -1.478 1.00 0.00 C ATOM 798 CG ASN A 948 29.349 -12.606 -2.842 1.00 0.00 C ATOM 799 OD1 ASN A 948 30.286 -13.175 -3.402 1.00 0.00 O ATOM 800 ND2 ASN A 948 28.140 -12.509 -3.386 1.00 0.00 N ATOM 0 H ASN A 948 29.778 -10.355 0.397 1.00 0.00 H new ATOM 0 HA ASN A 948 31.559 -11.360 -1.661 1.00 0.00 H new ATOM 0 HB2 ASN A 948 29.776 -12.746 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 948 28.571 -11.540 -1.162 1.00 0.00 H new ATOM 0 HD21 ASN A 948 27.960 -12.916 -4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 948 27.393 -12.028 -2.885 1.00 0.00 H new ATOM 807 N LEU A 949 30.376 -8.571 -2.062 1.00 0.00 N ATOM 808 CA LEU A 949 30.134 -7.423 -2.914 1.00 0.00 C ATOM 809 C LEU A 949 28.675 -7.407 -3.289 1.00 0.00 C ATOM 810 O LEU A 949 28.293 -7.131 -4.427 1.00 0.00 O ATOM 811 CB LEU A 949 31.033 -7.462 -4.145 1.00 0.00 C ATOM 812 CG LEU A 949 32.518 -7.662 -3.830 1.00 0.00 C ATOM 813 CD1 LEU A 949 33.344 -7.633 -5.106 1.00 0.00 C ATOM 814 CD2 LEU A 949 33.002 -6.600 -2.851 1.00 0.00 C ATOM 0 H LEU A 949 30.588 -8.329 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 949 30.376 -6.504 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 949 30.700 -8.268 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 949 30.913 -6.531 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 949 32.644 -8.640 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 949 34.396 -7.777 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 949 33.014 -8.431 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 949 33.215 -6.671 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 949 34.059 -6.757 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 949 32.863 -5.611 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 949 32.431 -6.671 -1.925 1.00 0.00 H new ATOM 826 N VAL A 950 27.873 -7.731 -2.292 1.00 0.00 N ATOM 827 CA VAL A 950 26.442 -7.796 -2.433 1.00 0.00 C ATOM 828 C VAL A 950 25.759 -7.172 -1.233 1.00 0.00 C ATOM 829 O VAL A 950 26.317 -7.105 -0.138 1.00 0.00 O ATOM 830 CB VAL A 950 25.977 -9.244 -2.585 1.00 0.00 C ATOM 831 CG1 VAL A 950 26.552 -10.087 -1.465 1.00 0.00 C ATOM 832 CG2 VAL A 950 24.467 -9.331 -2.594 1.00 0.00 C ATOM 0 H VAL A 950 28.206 -7.958 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 950 26.171 -7.239 -3.330 1.00 0.00 H new ATOM 0 HB VAL A 950 26.338 -9.626 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 950 26.218 -11.118 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 950 27.641 -10.052 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 950 26.212 -9.698 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 950 24.163 -10.372 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 950 24.074 -8.935 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 950 24.074 -8.749 -3.428 1.00 0.00 H new ATOM 842 N TRP A 951 24.552 -6.717 -1.463 1.00 0.00 N ATOM 843 CA TRP A 951 23.753 -6.082 -0.426 1.00 0.00 C ATOM 844 C TRP A 951 22.912 -7.101 0.325 1.00 0.00 C ATOM 845 O TRP A 951 22.429 -8.069 -0.263 1.00 0.00 O ATOM 846 CB TRP A 951 22.861 -5.005 -1.038 1.00 0.00 C ATOM 847 CG TRP A 951 23.624 -4.075 -1.929 1.00 0.00 C ATOM 848 CD1 TRP A 951 24.004 -4.298 -3.220 1.00 0.00 C ATOM 849 CD2 TRP A 951 24.136 -2.792 -1.575 1.00 0.00 C ATOM 850 NE1 TRP A 951 24.712 -3.218 -3.695 1.00 0.00 N ATOM 851 CE2 TRP A 951 24.806 -2.280 -2.700 1.00 0.00 C ATOM 852 CE3 TRP A 951 24.085 -2.024 -0.414 1.00 0.00 C ATOM 853 CZ2 TRP A 951 25.423 -1.031 -2.693 1.00 0.00 C ATOM 854 CZ3 TRP A 951 24.692 -0.789 -0.404 1.00 0.00 C ATOM 855 CH2 TRP A 951 25.355 -0.300 -1.538 1.00 0.00 C ATOM 0 H TRP A 951 24.090 -6.773 -2.371 1.00 0.00 H new ATOM 0 HA TRP A 951 24.433 -5.619 0.289 1.00 0.00 H new ATOM 0 HB2 TRP A 951 22.063 -5.479 -1.609 1.00 0.00 H new ATOM 0 HB3 TRP A 951 22.386 -4.433 -0.241 1.00 0.00 H new ATOM 0 HD1 TRP A 951 23.782 -5.191 -3.786 1.00 0.00 H new ATOM 0 HE1 TRP A 951 25.103 -3.130 -4.633 1.00 0.00 H new ATOM 0 HE3 TRP A 951 23.577 -2.392 0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 25.935 -0.654 -3.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 24.657 -0.187 0.492 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.822 0.673 -1.500 1.00 0.00 H new ATOM 866 N SER A 952 22.726 -6.870 1.623 1.00 0.00 N ATOM 867 CA SER A 952 21.921 -7.765 2.441 1.00 0.00 C ATOM 868 C SER A 952 20.617 -8.068 1.720 1.00 0.00 C ATOM 869 O SER A 952 20.085 -7.214 1.011 1.00 0.00 O ATOM 870 CB SER A 952 21.638 -7.138 3.807 1.00 0.00 C ATOM 871 OG SER A 952 20.940 -5.913 3.672 1.00 0.00 O ATOM 0 H SER A 952 23.120 -6.075 2.126 1.00 0.00 H new ATOM 0 HA SER A 952 22.471 -8.692 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 952 21.052 -7.829 4.413 1.00 0.00 H new ATOM 0 HB3 SER A 952 22.577 -6.969 4.334 1.00 0.00 H new ATOM 0 HG SER A 952 20.770 -5.534 4.560 1.00 0.00 H new ATOM 877 N SER A 953 20.118 -9.285 1.873 1.00 0.00 N ATOM 878 CA SER A 953 18.897 -9.684 1.202 1.00 0.00 C ATOM 879 C SER A 953 17.665 -9.123 1.905 1.00 0.00 C ATOM 880 O SER A 953 17.299 -9.572 2.991 1.00 0.00 O ATOM 881 CB SER A 953 18.822 -11.207 1.153 1.00 0.00 C ATOM 882 OG SER A 953 19.907 -11.749 0.420 1.00 0.00 O ATOM 0 H SER A 953 20.540 -10.009 2.454 1.00 0.00 H new ATOM 0 HA SER A 953 18.913 -9.281 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 953 18.828 -11.607 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 953 17.881 -11.513 0.695 1.00 0.00 H new ATOM 0 HG SER A 953 19.836 -12.726 0.405 1.00 0.00 H new ATOM 888 N PRO A 954 16.998 -8.136 1.277 1.00 0.00 N ATOM 889 CA PRO A 954 15.790 -7.520 1.833 1.00 0.00 C ATOM 890 C PRO A 954 14.633 -8.511 1.879 1.00 0.00 C ATOM 891 O PRO A 954 14.483 -9.337 0.979 1.00 0.00 O ATOM 892 CB PRO A 954 15.475 -6.369 0.864 1.00 0.00 C ATOM 893 CG PRO A 954 16.694 -6.208 0.013 1.00 0.00 C ATOM 894 CD PRO A 954 17.357 -7.551 -0.027 1.00 0.00 C ATOM 0 HA PRO A 954 15.936 -7.183 2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 954 14.601 -6.599 0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 954 15.253 -5.450 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 954 16.427 -5.876 -0.990 1.00 0.00 H new ATOM 0 HG3 PRO A 954 17.363 -5.456 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 954 16.991 -8.157 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 954 18.437 -7.465 -0.147 1.00 0.00 H new ATOM 902 N LYS A 955 13.819 -8.437 2.929 1.00 0.00 N ATOM 903 CA LYS A 955 12.688 -9.350 3.066 1.00 0.00 C ATOM 904 C LYS A 955 11.584 -8.759 3.938 1.00 0.00 C ATOM 905 O LYS A 955 11.831 -8.298 5.053 1.00 0.00 O ATOM 906 CB LYS A 955 13.157 -10.682 3.656 1.00 0.00 C ATOM 907 CG LYS A 955 12.037 -11.695 3.834 1.00 0.00 C ATOM 908 CD LYS A 955 12.551 -12.994 4.432 1.00 0.00 C ATOM 909 CE LYS A 955 11.426 -13.994 4.640 1.00 0.00 C ATOM 910 NZ LYS A 955 10.730 -14.323 3.365 1.00 0.00 N ATOM 0 H LYS A 955 13.919 -7.763 3.688 1.00 0.00 H new ATOM 0 HA LYS A 955 12.276 -9.514 2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 955 13.922 -11.108 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 955 13.626 -10.497 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 955 11.265 -11.276 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 955 11.571 -11.897 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 955 13.306 -13.425 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 955 13.038 -12.789 5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 955 11.829 -14.907 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 955 10.707 -13.588 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 10.113 -15.148 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 10.156 -13.510 3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 11.434 -14.541 2.631 1.00 0.00 H new ATOM 924 N ASP A 956 10.362 -8.794 3.413 1.00 0.00 N ATOM 925 CA ASP A 956 9.189 -8.284 4.118 1.00 0.00 C ATOM 926 C ASP A 956 9.414 -6.861 4.617 1.00 0.00 C ATOM 927 O ASP A 956 8.899 -6.468 5.664 1.00 0.00 O ATOM 928 CB ASP A 956 8.831 -9.208 5.285 1.00 0.00 C ATOM 929 CG ASP A 956 7.489 -8.872 5.911 1.00 0.00 C ATOM 930 OD1 ASP A 956 6.808 -7.955 5.405 1.00 0.00 O ATOM 931 OD2 ASP A 956 7.116 -9.532 6.905 1.00 0.00 O ATOM 0 H ASP A 956 10.157 -9.176 2.489 1.00 0.00 H new ATOM 0 HA ASP A 956 8.357 -8.261 3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 956 8.815 -10.240 4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 956 9.608 -9.142 6.046 1.00 0.00 H new ATOM 936 N VAL A 957 10.174 -6.087 3.855 1.00 0.00 N ATOM 937 CA VAL A 957 10.448 -4.703 4.217 1.00 0.00 C ATOM 938 C VAL A 957 9.432 -3.755 3.592 1.00 0.00 C ATOM 939 O VAL A 957 8.728 -3.030 4.294 1.00 0.00 O ATOM 940 CB VAL A 957 11.871 -4.270 3.810 1.00 0.00 C ATOM 941 CG1 VAL A 957 12.902 -4.833 4.774 1.00 0.00 C ATOM 942 CG2 VAL A 957 12.177 -4.689 2.382 1.00 0.00 C ATOM 0 H VAL A 957 10.611 -6.392 2.985 1.00 0.00 H new ATOM 0 HA VAL A 957 10.368 -4.647 5.303 1.00 0.00 H new ATOM 0 HB VAL A 957 11.921 -3.182 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 957 13.898 -4.515 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 957 12.698 -4.467 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 957 12.850 -5.922 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 957 13.186 -4.372 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 957 12.103 -5.773 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 957 11.462 -4.222 1.705 1.00 0.00 H new ATOM 952 N CYS A 958 9.368 -3.769 2.269 1.00 0.00 N ATOM 953 CA CYS A 958 8.444 -2.913 1.536 1.00 0.00 C ATOM 954 C CYS A 958 7.101 -3.608 1.336 1.00 0.00 C ATOM 955 O CYS A 958 7.044 -4.812 1.089 1.00 0.00 O ATOM 956 CB CYS A 958 9.040 -2.518 0.184 1.00 0.00 C ATOM 957 SG CYS A 958 8.288 -1.026 -0.542 1.00 0.00 S ATOM 0 H CYS A 958 9.947 -4.366 1.678 1.00 0.00 H new ATOM 0 HA CYS A 958 8.279 -2.011 2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 958 10.111 -2.353 0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 958 8.922 -3.349 -0.512 1.00 0.00 H new ATOM 962 N LYS A 959 6.022 -2.837 1.445 1.00 0.00 N ATOM 963 CA LYS A 959 4.671 -3.366 1.280 1.00 0.00 C ATOM 964 C LYS A 959 3.729 -2.275 0.783 1.00 0.00 C ATOM 965 O LYS A 959 3.745 -1.157 1.291 1.00 0.00 O ATOM 966 CB LYS A 959 4.167 -3.936 2.608 1.00 0.00 C ATOM 967 CG LYS A 959 4.869 -5.219 3.026 1.00 0.00 C ATOM 968 CD LYS A 959 4.667 -5.516 4.502 1.00 0.00 C ATOM 969 CE LYS A 959 5.416 -4.522 5.376 1.00 0.00 C ATOM 970 NZ LYS A 959 5.231 -4.804 6.826 1.00 0.00 N ATOM 0 H LYS A 959 6.058 -1.838 1.648 1.00 0.00 H new ATOM 0 HA LYS A 959 4.696 -4.165 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 959 4.301 -3.188 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 959 3.097 -4.127 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 959 4.490 -6.051 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 959 5.935 -5.136 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 959 3.604 -5.482 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 959 5.011 -6.527 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 959 6.478 -4.554 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 959 5.069 -3.512 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 5.758 -4.104 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 4.220 -4.748 7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 5.586 -5.757 7.042 1.00 0.00 H new ATOM 984 N ARG A 960 2.921 -2.598 -0.222 1.00 0.00 N ATOM 985 CA ARG A 960 1.990 -1.629 -0.791 1.00 0.00 C ATOM 986 C ARG A 960 0.920 -1.239 0.226 1.00 0.00 C ATOM 987 O ARG A 960 0.276 -2.097 0.830 1.00 0.00 O ATOM 988 CB ARG A 960 1.347 -2.195 -2.062 1.00 0.00 C ATOM 989 CG ARG A 960 1.078 -1.141 -3.127 1.00 0.00 C ATOM 990 CD ARG A 960 -0.125 -0.276 -2.791 1.00 0.00 C ATOM 991 NE ARG A 960 -1.386 -0.962 -3.058 1.00 0.00 N ATOM 992 CZ ARG A 960 -1.752 -1.392 -4.264 1.00 0.00 C ATOM 993 NH1 ARG A 960 -0.959 -1.206 -5.312 1.00 0.00 N ATOM 994 NH2 ARG A 960 -2.918 -2.003 -4.429 1.00 0.00 N ATOM 0 H ARG A 960 2.892 -3.520 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 960 2.548 -0.730 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 960 1.999 -2.963 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 960 0.408 -2.682 -1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 960 1.958 -0.508 -3.239 1.00 0.00 H new ATOM 0 HG3 ARG A 960 0.914 -1.631 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -0.084 0.009 -1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 960 -0.083 0.645 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 960 -2.022 -1.121 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -0.064 -0.731 -5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 960 -1.245 -1.538 -6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 960 -3.537 -2.145 -3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 960 -3.195 -2.331 -5.354 1.00 0.00 H new ATOM 1008 N LYS A 961 0.748 0.068 0.414 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.230 0.599 1.360 1.00 0.00 C ATOM 1010 C LYS A 961 -1.635 0.082 1.062 1.00 0.00 C ATOM 1011 O LYS A 961 -1.905 -0.413 -0.032 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.208 2.129 1.338 1.00 0.00 C ATOM 1013 CG LYS A 961 -1.173 2.774 2.323 1.00 0.00 C ATOM 1014 CD LYS A 961 -0.986 4.284 2.396 1.00 0.00 C ATOM 1015 CE LYS A 961 0.289 4.664 3.135 1.00 0.00 C ATOM 1016 NZ LYS A 961 1.513 4.173 2.444 1.00 0.00 N ATOM 0 H LYS A 961 1.279 0.784 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 961 0.045 0.253 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.803 2.471 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -0.448 2.472 0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -2.198 2.549 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -1.025 2.342 3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 961 -0.957 4.695 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 961 -1.844 4.732 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 961 0.340 5.748 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 961 0.256 4.255 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 2.340 4.707 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 1.646 3.162 2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 1.409 4.306 1.418 1.00 0.00 H new ATOM 1030 N SER A 962 -2.521 0.191 2.050 1.00 0.00 N ATOM 1031 CA SER A 962 -3.896 -0.273 1.906 1.00 0.00 C ATOM 1032 C SER A 962 -4.855 0.553 2.754 1.00 0.00 C ATOM 1033 O SER A 962 -4.498 1.027 3.833 1.00 0.00 O ATOM 1034 CB SER A 962 -4.005 -1.742 2.310 1.00 0.00 C ATOM 1035 OG SER A 962 -3.570 -1.938 3.644 1.00 0.00 O ATOM 0 H SER A 962 -2.309 0.598 2.961 1.00 0.00 H new ATOM 0 HA SER A 962 -4.172 -0.157 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 962 -5.038 -2.075 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 962 -3.406 -2.353 1.635 1.00 0.00 H new ATOM 0 HG SER A 962 -3.651 -2.886 3.879 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.079 0.708 2.262 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.103 1.460 2.975 1.00 0.00 C ATOM 1043 C CYS A 963 -7.721 0.592 4.065 1.00 0.00 C ATOM 1044 O CYS A 963 -7.821 -0.626 3.917 1.00 0.00 O ATOM 1045 CB CYS A 963 -8.192 1.930 2.007 1.00 0.00 C ATOM 1046 SG CYS A 963 -7.596 3.014 0.669 1.00 0.00 S ATOM 0 H CYS A 963 -6.386 0.321 1.370 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.638 2.334 3.431 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.669 1.056 1.564 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -8.959 2.459 2.572 1.00 0.00 H new ATOM 1051 N LYS A 964 -8.132 1.218 5.163 1.00 0.00 N ATOM 1052 CA LYS A 964 -8.733 0.488 6.271 1.00 0.00 C ATOM 1053 C LYS A 964 -10.066 -0.109 5.832 1.00 0.00 C ATOM 1054 O LYS A 964 -10.898 0.579 5.238 1.00 0.00 O ATOM 1055 CB LYS A 964 -8.926 1.428 7.467 1.00 0.00 C ATOM 1056 CG LYS A 964 -9.140 0.718 8.797 1.00 0.00 C ATOM 1057 CD LYS A 964 -10.479 0.005 8.858 1.00 0.00 C ATOM 1058 CE LYS A 964 -10.680 -0.683 10.197 1.00 0.00 C ATOM 1059 NZ LYS A 964 -9.619 -1.693 10.467 1.00 0.00 N ATOM 0 H LYS A 964 -8.060 2.225 5.308 1.00 0.00 H new ATOM 0 HA LYS A 964 -8.073 -0.325 6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -8.052 2.074 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -9.782 2.074 7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -8.339 -0.004 8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -9.079 1.444 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -11.283 0.722 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -10.538 -0.731 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -10.682 0.063 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -11.656 -1.168 10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -9.911 -2.300 11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -9.472 -2.277 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -8.732 -1.208 10.712 1.00 0.00 H new ATOM 1073 N THR A 965 -10.258 -1.397 6.112 1.00 0.00 N ATOM 1074 CA THR A 965 -11.486 -2.086 5.730 1.00 0.00 C ATOM 1075 C THR A 965 -12.715 -1.333 6.233 1.00 0.00 C ATOM 1076 O THR A 965 -12.844 -1.063 7.425 1.00 0.00 O ATOM 1077 CB THR A 965 -11.521 -3.527 6.274 1.00 0.00 C ATOM 1078 OG1 THR A 965 -10.312 -4.212 5.927 1.00 0.00 O ATOM 1079 CG2 THR A 965 -12.713 -4.289 5.709 1.00 0.00 C ATOM 0 H THR A 965 -9.580 -1.982 6.601 1.00 0.00 H new ATOM 0 HA THR A 965 -11.502 -2.121 4.641 1.00 0.00 H new ATOM 0 HB THR A 965 -11.616 -3.479 7.359 1.00 0.00 H new ATOM 0 HG1 THR A 965 -10.342 -5.126 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 965 -12.718 -5.304 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 965 -13.636 -3.784 5.993 1.00 0.00 H new ATOM 0 HG23 THR A 965 -12.639 -4.326 4.622 1.00 0.00 H new ATOM 1087 N PRO A 966 -13.636 -0.981 5.320 1.00 0.00 N ATOM 1088 CA PRO A 966 -14.860 -0.250 5.671 1.00 0.00 C ATOM 1089 C PRO A 966 -15.832 -1.093 6.490 1.00 0.00 C ATOM 1090 O PRO A 966 -16.107 -2.244 6.147 1.00 0.00 O ATOM 1091 CB PRO A 966 -15.473 0.086 4.311 1.00 0.00 C ATOM 1092 CG PRO A 966 -14.949 -0.963 3.395 1.00 0.00 C ATOM 1093 CD PRO A 966 -13.559 -1.264 3.875 1.00 0.00 C ATOM 0 HA PRO A 966 -14.646 0.621 6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -16.562 0.069 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -15.182 1.083 3.980 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -15.575 -1.855 3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -14.940 -0.612 2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -13.281 -2.300 3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -12.817 -0.637 3.380 1.00 0.00 H new ATOM 1101 N PRO A 967 -16.379 -0.527 7.579 1.00 0.00 N ATOM 1102 CA PRO A 967 -17.338 -1.233 8.431 1.00 0.00 C ATOM 1103 C PRO A 967 -18.577 -1.644 7.647 1.00 0.00 C ATOM 1104 O PRO A 967 -19.089 -0.870 6.837 1.00 0.00 O ATOM 1105 CB PRO A 967 -17.702 -0.206 9.510 1.00 0.00 C ATOM 1106 CG PRO A 967 -16.600 0.797 9.479 1.00 0.00 C ATOM 1107 CD PRO A 967 -16.123 0.842 8.056 1.00 0.00 C ATOM 0 HA PRO A 967 -16.924 -2.154 8.842 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -18.665 0.260 9.302 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -17.780 -0.675 10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -16.954 1.776 9.803 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -15.792 0.511 10.153 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -16.668 1.582 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -15.066 1.101 7.992 1.00 0.00 H new ATOM 1115 N ASP A 968 -19.050 -2.862 7.878 1.00 0.00 N ATOM 1116 CA ASP A 968 -20.223 -3.363 7.174 1.00 0.00 C ATOM 1117 C ASP A 968 -21.429 -2.450 7.401 1.00 0.00 C ATOM 1118 O ASP A 968 -21.934 -2.339 8.518 1.00 0.00 O ATOM 1119 CB ASP A 968 -20.551 -4.787 7.631 1.00 0.00 C ATOM 1120 CG ASP A 968 -20.795 -4.877 9.125 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -19.870 -4.551 9.899 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -21.912 -5.272 9.520 1.00 0.00 O ATOM 0 H ASP A 968 -18.642 -3.518 8.544 1.00 0.00 H new ATOM 0 HA ASP A 968 -19.997 -3.375 6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -21.435 -5.141 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -19.730 -5.450 7.360 1.00 0.00 H new ATOM 1127 N PRO A 969 -21.906 -1.785 6.333 1.00 0.00 N ATOM 1128 CA PRO A 969 -23.058 -0.880 6.410 1.00 0.00 C ATOM 1129 C PRO A 969 -24.334 -1.615 6.786 1.00 0.00 C ATOM 1130 O PRO A 969 -24.488 -2.800 6.493 1.00 0.00 O ATOM 1131 CB PRO A 969 -23.173 -0.304 4.992 1.00 0.00 C ATOM 1132 CG PRO A 969 -21.864 -0.593 4.341 1.00 0.00 C ATOM 1133 CD PRO A 969 -21.364 -1.860 4.967 1.00 0.00 C ATOM 0 HA PRO A 969 -22.922 -0.117 7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -23.995 -0.767 4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -23.371 0.768 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -21.981 -0.710 3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -21.161 0.225 4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -21.723 -2.742 4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -20.275 -1.909 4.966 1.00 0.00 H new ATOM 1141 N VAL A 970 -25.249 -0.905 7.436 1.00 0.00 N ATOM 1142 CA VAL A 970 -26.509 -1.484 7.849 1.00 0.00 C ATOM 1143 C VAL A 970 -27.176 -2.218 6.689 1.00 0.00 C ATOM 1144 O VAL A 970 -27.354 -1.657 5.609 1.00 0.00 O ATOM 1145 CB VAL A 970 -27.446 -0.393 8.379 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -27.562 0.724 7.367 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -28.801 -0.973 8.712 1.00 0.00 C ATOM 0 H VAL A 970 -25.135 0.077 7.686 1.00 0.00 H new ATOM 0 HA VAL A 970 -26.307 -2.201 8.644 1.00 0.00 H new ATOM 0 HB VAL A 970 -27.028 0.019 9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -28.230 1.495 7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -26.577 1.154 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -27.963 0.329 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -29.453 -0.184 9.087 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -29.240 -1.411 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -28.689 -1.744 9.475 1.00 0.00 H new ATOM 1157 N ASN A 971 -27.533 -3.479 6.919 1.00 0.00 N ATOM 1158 CA ASN A 971 -28.170 -4.295 5.888 1.00 0.00 C ATOM 1159 C ASN A 971 -27.393 -4.219 4.575 1.00 0.00 C ATOM 1160 O ASN A 971 -27.976 -4.040 3.505 1.00 0.00 O ATOM 1161 CB ASN A 971 -29.617 -3.845 5.671 1.00 0.00 C ATOM 1162 CG ASN A 971 -30.463 -3.993 6.920 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -30.615 -5.092 7.454 1.00 0.00 O ATOM 1164 ND2 ASN A 971 -31.023 -2.885 7.390 1.00 0.00 N ATOM 0 H ASN A 971 -27.392 -3.958 7.809 1.00 0.00 H new ATOM 0 HA ASN A 971 -28.169 -5.331 6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -29.626 -2.803 5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -30.059 -4.430 4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -31.606 -2.923 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -30.870 -1.995 6.915 1.00 0.00 H new ATOM 1171 N GLY A 972 -26.072 -4.355 4.668 1.00 0.00 N ATOM 1172 CA GLY A 972 -25.232 -4.296 3.484 1.00 0.00 C ATOM 1173 C GLY A 972 -23.791 -4.668 3.777 1.00 0.00 C ATOM 1174 O GLY A 972 -23.233 -4.263 4.796 1.00 0.00 O ATOM 0 H GLY A 972 -25.569 -4.505 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -25.631 -4.969 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -25.267 -3.289 3.067 1.00 0.00 H new ATOM 1178 N MET A 973 -23.188 -5.449 2.885 1.00 0.00 N ATOM 1179 CA MET A 973 -21.805 -5.882 3.058 1.00 0.00 C ATOM 1180 C MET A 973 -20.975 -5.580 1.813 1.00 0.00 C ATOM 1181 O MET A 973 -21.460 -5.704 0.686 1.00 0.00 O ATOM 1182 CB MET A 973 -21.742 -7.383 3.363 1.00 0.00 C ATOM 1183 CG MET A 973 -22.443 -7.789 4.652 1.00 0.00 C ATOM 1184 SD MET A 973 -24.239 -7.633 4.559 1.00 0.00 S ATOM 1185 CE MET A 973 -24.610 -8.754 3.211 1.00 0.00 C ATOM 0 H MET A 973 -23.635 -5.795 2.036 1.00 0.00 H new ATOM 0 HA MET A 973 -21.390 -5.327 3.899 1.00 0.00 H new ATOM 0 HB2 MET A 973 -22.188 -7.930 2.532 1.00 0.00 H new ATOM 0 HB3 MET A 973 -20.697 -7.687 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 973 -22.186 -8.821 4.889 1.00 0.00 H new ATOM 0 HG3 MET A 973 -22.072 -7.172 5.470 1.00 0.00 H new ATOM 0 HE1 MET A 973 -25.545 -9.274 3.417 1.00 0.00 H new ATOM 0 HE2 MET A 973 -24.706 -8.189 2.284 1.00 0.00 H new ATOM 0 HE3 MET A 973 -23.805 -9.482 3.111 1.00 0.00 H new ATOM 1195 N VAL A 974 -19.718 -5.189 2.024 1.00 0.00 N ATOM 1196 CA VAL A 974 -18.822 -4.882 0.916 1.00 0.00 C ATOM 1197 C VAL A 974 -17.986 -6.102 0.543 1.00 0.00 C ATOM 1198 O VAL A 974 -17.250 -6.639 1.371 1.00 0.00 O ATOM 1199 CB VAL A 974 -17.877 -3.703 1.243 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -16.964 -4.035 2.417 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -17.052 -3.333 0.022 1.00 0.00 C ATOM 0 H VAL A 974 -19.301 -5.079 2.948 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.452 -4.595 0.074 1.00 0.00 H new ATOM 0 HB VAL A 974 -18.492 -2.849 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -16.312 -3.186 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -17.568 -4.250 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -16.358 -4.907 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.391 -2.501 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.455 -4.191 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.716 -3.041 -0.791 1.00 0.00 H new ATOM 1211 N HIS A 975 -18.096 -6.539 -0.706 1.00 0.00 N ATOM 1212 CA HIS A 975 -17.334 -7.690 -1.164 1.00 0.00 C ATOM 1213 C HIS A 975 -15.979 -7.254 -1.696 1.00 0.00 C ATOM 1214 O HIS A 975 -15.894 -6.385 -2.571 1.00 0.00 O ATOM 1215 CB HIS A 975 -18.064 -8.448 -2.277 1.00 0.00 C ATOM 1216 CG HIS A 975 -19.534 -8.200 -2.340 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -20.387 -8.415 -1.280 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -20.303 -7.764 -3.362 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -21.622 -8.122 -1.648 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -21.598 -7.724 -2.909 1.00 0.00 N ATOM 0 H HIS A 975 -18.700 -6.118 -1.412 1.00 0.00 H new ATOM 0 HA HIS A 975 -17.211 -8.349 -0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -17.622 -8.174 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -17.895 -9.516 -2.142 1.00 0.00 H new ATOM 0 HD1 HIS A 975 -20.109 -8.748 -0.357 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -19.962 -7.497 -4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -22.501 -8.195 -1.025 1.00 0.00 H new ATOM 1229 N VAL A 976 -14.928 -7.883 -1.196 1.00 0.00 N ATOM 1230 CA VAL A 976 -13.587 -7.587 -1.660 1.00 0.00 C ATOM 1231 C VAL A 976 -13.325 -8.400 -2.922 1.00 0.00 C ATOM 1232 O VAL A 976 -13.482 -9.622 -2.922 1.00 0.00 O ATOM 1233 CB VAL A 976 -12.531 -7.905 -0.583 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -11.131 -7.629 -1.106 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -12.805 -7.098 0.681 1.00 0.00 C ATOM 0 H VAL A 976 -14.979 -8.599 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 976 -13.510 -6.521 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 976 -12.596 -8.965 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -10.401 -7.860 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -10.940 -8.251 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -11.047 -6.578 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -12.052 -7.333 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -12.767 -6.034 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -13.793 -7.350 1.066 1.00 0.00 H new ATOM 1245 N ILE A 977 -12.970 -7.724 -4.007 1.00 0.00 N ATOM 1246 CA ILE A 977 -12.743 -8.402 -5.277 1.00 0.00 C ATOM 1247 C ILE A 977 -11.428 -9.172 -5.262 1.00 0.00 C ATOM 1248 O ILE A 977 -11.349 -10.292 -5.769 1.00 0.00 O ATOM 1249 CB ILE A 977 -12.734 -7.412 -6.458 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -13.652 -6.217 -6.176 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -13.173 -8.122 -7.730 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -15.109 -6.586 -5.990 1.00 0.00 C ATOM 0 H ILE A 977 -12.834 -6.714 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 977 -13.569 -9.100 -5.410 1.00 0.00 H new ATOM 0 HB ILE A 977 -11.719 -7.037 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -13.300 -5.706 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -13.570 -5.508 -7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -13.165 -7.417 -8.561 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -12.488 -8.943 -7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -14.181 -8.515 -7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -15.690 -5.685 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -15.480 -7.069 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -15.206 -7.270 -5.147 1.00 0.00 H new ATOM 1264 N THR A 978 -10.403 -8.570 -4.675 1.00 0.00 N ATOM 1265 CA THR A 978 -9.094 -9.200 -4.584 1.00 0.00 C ATOM 1266 C THR A 978 -8.421 -8.836 -3.271 1.00 0.00 C ATOM 1267 O THR A 978 -7.958 -9.705 -2.535 1.00 0.00 O ATOM 1268 CB THR A 978 -8.177 -8.771 -5.746 1.00 0.00 C ATOM 1269 OG1 THR A 978 -7.961 -7.355 -5.703 1.00 0.00 O ATOM 1270 CG2 THR A 978 -8.786 -9.151 -7.086 1.00 0.00 C ATOM 0 H THR A 978 -10.454 -7.643 -4.253 1.00 0.00 H new ATOM 0 HA THR A 978 -9.251 -10.277 -4.638 1.00 0.00 H new ATOM 0 HB THR A 978 -7.224 -9.289 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 978 -7.376 -7.091 -6.444 1.00 0.00 H new ATOM 0 HG21 THR A 978 -8.120 -8.838 -7.890 1.00 0.00 H new ATOM 0 HG22 THR A 978 -8.924 -10.231 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 978 -9.751 -8.657 -7.200 1.00 0.00 H new ATOM 1278 N ASP A 979 -8.387 -7.539 -2.989 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.787 -7.019 -1.767 1.00 0.00 C ATOM 1280 C ASP A 979 -8.349 -5.635 -1.458 1.00 0.00 C ATOM 1281 O ASP A 979 -9.468 -5.311 -1.855 1.00 0.00 O ATOM 1282 CB ASP A 979 -6.265 -6.949 -1.917 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.570 -8.241 -1.528 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -6.234 -9.127 -0.952 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -4.352 -8.355 -1.779 1.00 0.00 O ATOM 0 H ASP A 979 -8.774 -6.820 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 979 -8.028 -7.689 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -6.018 -6.707 -2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -5.882 -6.137 -1.300 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.564 -4.813 -0.768 1.00 0.00 N ATOM 1291 CA ILE A 980 -7.993 -3.461 -0.434 1.00 0.00 C ATOM 1292 C ILE A 980 -6.803 -2.514 -0.341 1.00 0.00 C ATOM 1293 O ILE A 980 -6.878 -1.463 0.296 1.00 0.00 O ATOM 1294 CB ILE A 980 -8.795 -3.415 0.883 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -8.058 -4.165 1.994 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.188 -3.994 0.680 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -8.780 -4.130 3.324 1.00 0.00 C ATOM 0 H ILE A 980 -6.633 -5.058 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.648 -3.135 -1.242 1.00 0.00 H new ATOM 0 HB ILE A 980 -8.895 -2.372 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -7.919 -5.203 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -7.065 -3.733 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -10.739 -3.953 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -10.717 -3.414 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -10.107 -5.030 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -8.202 -4.681 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -8.895 -3.096 3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -9.763 -4.588 3.216 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.716 -2.881 -1.014 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.518 -2.053 -1.046 1.00 0.00 C ATOM 1311 C GLN A 981 -4.725 -0.887 -2.008 1.00 0.00 C ATOM 1312 O GLN A 981 -5.530 -0.986 -2.933 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.297 -2.876 -1.472 1.00 0.00 C ATOM 1314 CG GLN A 981 -2.648 -3.670 -0.347 1.00 0.00 C ATOM 1315 CD GLN A 981 -3.596 -4.636 0.332 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -4.255 -5.440 -0.324 1.00 0.00 O ATOM 1317 NE2 GLN A 981 -3.651 -4.574 1.658 1.00 0.00 N ATOM 0 H GLN A 981 -5.642 -3.749 -1.545 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.335 -1.667 -0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.597 -3.566 -2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.554 -2.204 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -1.800 -4.226 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -2.253 -2.977 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -3.086 -3.890 2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -4.259 -5.211 2.174 1.00 0.00 H new ATOM 1326 N VAL A 982 -4.010 0.213 -1.782 1.00 0.00 N ATOM 1327 CA VAL A 982 -4.131 1.398 -2.632 1.00 0.00 C ATOM 1328 C VAL A 982 -3.989 1.038 -4.109 1.00 0.00 C ATOM 1329 O VAL A 982 -2.902 1.123 -4.682 1.00 0.00 O ATOM 1330 CB VAL A 982 -3.079 2.462 -2.268 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -3.219 3.679 -3.170 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -3.205 2.859 -0.805 1.00 0.00 C ATOM 0 H VAL A 982 -3.341 0.310 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 982 -5.126 1.809 -2.458 1.00 0.00 H new ATOM 0 HB VAL A 982 -2.088 2.035 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -2.468 4.421 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -3.076 3.381 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -4.213 4.109 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.454 3.612 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -4.199 3.268 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -3.053 1.982 -0.176 1.00 0.00 H new ATOM 1342 N GLY A 983 -5.099 0.631 -4.716 1.00 0.00 N ATOM 1343 CA GLY A 983 -5.093 0.254 -6.116 1.00 0.00 C ATOM 1344 C GLY A 983 -6.341 -0.511 -6.512 1.00 0.00 C ATOM 1345 O GLY A 983 -6.902 -0.287 -7.584 1.00 0.00 O ATOM 0 H GLY A 983 -6.008 0.556 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -5.009 1.150 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -4.214 -0.357 -6.321 1.00 0.00 H new ATOM 1349 N SER A 984 -6.776 -1.424 -5.643 1.00 0.00 N ATOM 1350 CA SER A 984 -7.962 -2.231 -5.906 1.00 0.00 C ATOM 1351 C SER A 984 -9.237 -1.415 -5.711 1.00 0.00 C ATOM 1352 O SER A 984 -9.190 -0.193 -5.576 1.00 0.00 O ATOM 1353 CB SER A 984 -7.983 -3.454 -4.989 1.00 0.00 C ATOM 1354 OG SER A 984 -7.967 -3.070 -3.625 1.00 0.00 O ATOM 0 H SER A 984 -6.323 -1.621 -4.751 1.00 0.00 H new ATOM 0 HA SER A 984 -7.921 -2.560 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 984 -8.873 -4.049 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.121 -4.087 -5.202 1.00 0.00 H new ATOM 0 HG SER A 984 -7.384 -3.676 -3.121 1.00 0.00 H new ATOM 1360 N ARG A 985 -10.376 -2.102 -5.698 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.665 -1.441 -5.524 1.00 0.00 C ATOM 1362 C ARG A 985 -12.675 -2.373 -4.858 1.00 0.00 C ATOM 1363 O ARG A 985 -12.836 -3.523 -5.265 1.00 0.00 O ATOM 1364 CB ARG A 985 -12.194 -0.972 -6.881 1.00 0.00 C ATOM 1365 CG ARG A 985 -13.475 -0.158 -6.795 1.00 0.00 C ATOM 1366 CD ARG A 985 -13.918 0.317 -8.169 1.00 0.00 C ATOM 1367 NE ARG A 985 -15.086 1.191 -8.100 1.00 0.00 N ATOM 1368 CZ ARG A 985 -15.625 1.786 -9.161 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -15.100 1.603 -10.365 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -16.687 2.566 -9.018 1.00 0.00 N ATOM 0 H ARG A 985 -10.432 -3.115 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.524 -0.578 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -11.427 -0.373 -7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -12.370 -1.843 -7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -14.263 -0.762 -6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -13.320 0.701 -6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -13.097 0.848 -8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -14.149 -0.546 -8.793 1.00 0.00 H new ATOM 0 HE ARG A 985 -15.512 1.354 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -14.281 1.005 -10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -15.515 2.060 -11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -17.092 2.711 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -17.099 3.021 -9.833 1.00 0.00 H new ATOM 1384 N ILE A 986 -13.346 -1.865 -3.830 1.00 0.00 N ATOM 1385 CA ILE A 986 -14.341 -2.638 -3.093 1.00 0.00 C ATOM 1386 C ILE A 986 -15.757 -2.326 -3.568 1.00 0.00 C ATOM 1387 O ILE A 986 -16.075 -1.178 -3.878 1.00 0.00 O ATOM 1388 CB ILE A 986 -14.251 -2.352 -1.586 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.415 -0.853 -1.327 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -12.926 -2.858 -1.034 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -14.396 -0.480 0.138 1.00 0.00 C ATOM 0 H ILE A 986 -13.218 -0.914 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 986 -14.126 -3.690 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 986 -15.056 -2.879 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.617 -0.316 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -15.356 -0.519 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -12.874 -2.650 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -12.850 -3.933 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -12.104 -2.354 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.518 0.598 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -15.211 -0.988 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -13.445 -0.781 0.578 1.00 0.00 H new ATOM 1403 N THR A 987 -16.609 -3.349 -3.615 1.00 0.00 N ATOM 1404 CA THR A 987 -17.992 -3.163 -4.044 1.00 0.00 C ATOM 1405 C THR A 987 -18.974 -3.488 -2.932 1.00 0.00 C ATOM 1406 O THR A 987 -18.842 -4.495 -2.243 1.00 0.00 O ATOM 1407 CB THR A 987 -18.329 -4.011 -5.280 1.00 0.00 C ATOM 1408 OG1 THR A 987 -17.798 -5.333 -5.135 1.00 0.00 O ATOM 1409 CG2 THR A 987 -17.782 -3.358 -6.534 1.00 0.00 C ATOM 0 H THR A 987 -16.368 -4.308 -3.363 1.00 0.00 H new ATOM 0 HA THR A 987 -18.088 -2.109 -4.305 1.00 0.00 H new ATOM 0 HB THR A 987 -19.413 -4.079 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 987 -18.021 -5.864 -5.928 1.00 0.00 H new ATOM 0 HG21 THR A 987 -18.029 -3.971 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 987 -18.224 -2.369 -6.651 1.00 0.00 H new ATOM 0 HG23 THR A 987 -16.699 -3.264 -6.453 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.962 -2.620 -2.769 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.983 -2.799 -1.742 1.00 0.00 C ATOM 1419 C TYR A 988 -22.283 -3.308 -2.354 1.00 0.00 C ATOM 1420 O TYR A 988 -22.607 -2.986 -3.497 1.00 0.00 O ATOM 1421 CB TYR A 988 -21.249 -1.484 -1.004 1.00 0.00 C ATOM 1422 CG TYR A 988 -20.040 -0.900 -0.305 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.899 -0.548 -1.016 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -20.050 -0.682 1.067 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.802 0.000 -0.378 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -18.958 -0.131 1.711 1.00 0.00 C ATOM 1427 CZ TYR A 988 -17.838 0.208 0.985 1.00 0.00 C ATOM 1428 OH TYR A 988 -16.750 0.758 1.620 1.00 0.00 O ATOM 0 H TYR A 988 -20.080 -1.781 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.611 -3.537 -1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.629 -0.752 -1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -22.035 -1.648 -0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.869 -0.705 -2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -20.926 -0.948 1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.921 0.264 -0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -18.983 0.033 2.778 1.00 0.00 H new ATOM 0 HH TYR A 988 -16.837 1.734 1.632 1.00 0.00 H new ATOM 1438 N SER A 989 -23.032 -4.094 -1.586 1.00 0.00 N ATOM 1439 CA SER A 989 -24.302 -4.629 -2.064 1.00 0.00 C ATOM 1440 C SER A 989 -25.287 -4.806 -0.914 1.00 0.00 C ATOM 1441 O SER A 989 -25.028 -5.543 0.037 1.00 0.00 O ATOM 1442 CB SER A 989 -24.087 -5.966 -2.776 1.00 0.00 C ATOM 1443 OG SER A 989 -25.313 -6.497 -3.246 1.00 0.00 O ATOM 0 H SER A 989 -22.784 -4.373 -0.637 1.00 0.00 H new ATOM 0 HA SER A 989 -24.721 -3.914 -2.772 1.00 0.00 H new ATOM 0 HB2 SER A 989 -23.402 -5.830 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 989 -23.619 -6.674 -2.092 1.00 0.00 H new ATOM 0 HG SER A 989 -25.148 -7.350 -3.699 1.00 0.00 H new ATOM 1449 N CYS A 990 -26.418 -4.117 -1.016 1.00 0.00 N ATOM 1450 CA CYS A 990 -27.457 -4.180 0.005 1.00 0.00 C ATOM 1451 C CYS A 990 -28.350 -5.399 -0.198 1.00 0.00 C ATOM 1452 O CYS A 990 -28.529 -5.869 -1.322 1.00 0.00 O ATOM 1453 CB CYS A 990 -28.302 -2.906 -0.021 1.00 0.00 C ATOM 1454 SG CYS A 990 -27.347 -1.378 0.248 1.00 0.00 S ATOM 0 H CYS A 990 -26.639 -3.504 -1.801 1.00 0.00 H new ATOM 0 HA CYS A 990 -26.971 -4.268 0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -28.811 -2.840 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -29.075 -2.979 0.744 1.00 0.00 H new ATOM 1459 N THR A 991 -28.914 -5.902 0.895 1.00 0.00 N ATOM 1460 CA THR A 991 -29.794 -7.061 0.833 1.00 0.00 C ATOM 1461 C THR A 991 -31.057 -6.752 0.043 1.00 0.00 C ATOM 1462 O THR A 991 -31.528 -5.615 0.027 1.00 0.00 O ATOM 1463 CB THR A 991 -30.199 -7.549 2.235 1.00 0.00 C ATOM 1464 OG1 THR A 991 -30.608 -6.442 3.046 1.00 0.00 O ATOM 1465 CG2 THR A 991 -29.054 -8.289 2.903 1.00 0.00 C ATOM 0 H THR A 991 -28.777 -5.525 1.833 1.00 0.00 H new ATOM 0 HA THR A 991 -29.230 -7.847 0.332 1.00 0.00 H new ATOM 0 HB THR A 991 -31.036 -8.239 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 991 -30.865 -6.765 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 991 -29.365 -8.624 3.893 1.00 0.00 H new ATOM 0 HG22 THR A 991 -28.777 -9.153 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 991 -28.197 -7.623 2.998 1.00 0.00 H new ATOM 1473 N THR A 992 -31.591 -7.777 -0.612 1.00 0.00 N ATOM 1474 CA THR A 992 -32.800 -7.638 -1.413 1.00 0.00 C ATOM 1475 C THR A 992 -33.903 -6.927 -0.634 1.00 0.00 C ATOM 1476 O THR A 992 -34.670 -7.557 0.096 1.00 0.00 O ATOM 1477 CB THR A 992 -33.310 -9.017 -1.870 1.00 0.00 C ATOM 1478 OG1 THR A 992 -32.336 -9.643 -2.714 1.00 0.00 O ATOM 1479 CG2 THR A 992 -34.631 -8.895 -2.616 1.00 0.00 C ATOM 0 H THR A 992 -31.202 -8.720 -0.603 1.00 0.00 H new ATOM 0 HA THR A 992 -32.544 -7.038 -2.286 1.00 0.00 H new ATOM 0 HB THR A 992 -33.472 -9.628 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 992 -32.666 -10.520 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 992 -34.966 -9.885 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 992 -35.379 -8.447 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 992 -34.495 -8.266 -3.495 1.00 0.00 H new ATOM 1487 N GLY A 993 -33.972 -5.609 -0.792 1.00 0.00 N ATOM 1488 CA GLY A 993 -34.978 -4.826 -0.102 1.00 0.00 C ATOM 1489 C GLY A 993 -34.590 -3.365 0.013 1.00 0.00 C ATOM 1490 O GLY A 993 -35.396 -2.476 -0.264 1.00 0.00 O ATOM 0 H GLY A 993 -33.346 -5.068 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -35.926 -4.907 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -35.135 -5.238 0.895 1.00 0.00 H new ATOM 1494 N HIS A 994 -33.350 -3.119 0.424 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.846 -1.761 0.581 1.00 0.00 C ATOM 1496 C HIS A 994 -31.998 -1.361 -0.622 1.00 0.00 C ATOM 1497 O HIS A 994 -31.334 -2.198 -1.233 1.00 0.00 O ATOM 1498 CB HIS A 994 -32.009 -1.652 1.858 1.00 0.00 C ATOM 1499 CG HIS A 994 -32.634 -2.308 3.049 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -32.885 -3.663 3.114 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -33.052 -1.794 4.231 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -33.428 -3.954 4.282 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -33.541 -2.838 4.978 1.00 0.00 N ATOM 0 H HIS A 994 -32.674 -3.847 0.655 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.699 -1.086 0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -31.031 -2.100 1.680 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.841 -0.599 2.082 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -33.009 -0.757 4.530 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -33.728 -4.938 4.612 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -33.929 -2.763 5.918 1.00 0.00 H new ATOM 1512 N ARG A 995 -32.022 -0.076 -0.952 1.00 0.00 N ATOM 1513 CA ARG A 995 -31.254 0.441 -2.076 1.00 0.00 C ATOM 1514 C ARG A 995 -29.879 0.910 -1.614 1.00 0.00 C ATOM 1515 O ARG A 995 -29.717 1.368 -0.481 1.00 0.00 O ATOM 1516 CB ARG A 995 -32.000 1.598 -2.743 1.00 0.00 C ATOM 1517 CG ARG A 995 -32.289 2.757 -1.805 1.00 0.00 C ATOM 1518 CD ARG A 995 -32.997 3.893 -2.525 1.00 0.00 C ATOM 1519 NE ARG A 995 -32.198 4.423 -3.627 1.00 0.00 N ATOM 1520 CZ ARG A 995 -32.590 5.425 -4.407 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -33.766 6.007 -4.208 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -31.805 5.848 -5.389 1.00 0.00 N ATOM 0 H ARG A 995 -32.567 0.629 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 995 -31.126 -0.363 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -31.411 1.961 -3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -32.941 1.227 -3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -32.905 2.410 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -31.355 3.122 -1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -33.954 3.539 -2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -33.213 4.693 -1.817 1.00 0.00 H new ATOM 0 HE ARG A 995 -31.288 4.000 -3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -34.373 5.686 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -34.063 6.776 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -30.900 5.404 -5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -32.106 6.617 -5.987 1.00 0.00 H new ATOM 1536 N LEU A 996 -28.894 0.786 -2.496 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.530 1.191 -2.181 1.00 0.00 C ATOM 1538 C LEU A 996 -27.468 2.703 -1.967 1.00 0.00 C ATOM 1539 O LEU A 996 -27.976 3.475 -2.781 1.00 0.00 O ATOM 1540 CB LEU A 996 -26.592 0.760 -3.318 1.00 0.00 C ATOM 1541 CG LEU A 996 -25.097 0.916 -3.066 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -24.704 2.374 -3.140 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -24.720 0.320 -1.728 1.00 0.00 C ATOM 0 H LEU A 996 -29.015 0.408 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.209 0.705 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -26.792 -0.287 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -26.849 1.334 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 996 -24.552 0.376 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -23.634 2.472 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -24.941 2.765 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -25.253 2.938 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -23.649 0.440 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -25.267 0.830 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -24.972 -0.741 -1.718 1.00 0.00 H new ATOM 1555 N ILE A 997 -26.858 3.116 -0.859 1.00 0.00 N ATOM 1556 CA ILE A 997 -26.746 4.533 -0.530 1.00 0.00 C ATOM 1557 C ILE A 997 -25.369 5.089 -0.884 1.00 0.00 C ATOM 1558 O ILE A 997 -24.550 5.356 -0.004 1.00 0.00 O ATOM 1559 CB ILE A 997 -27.010 4.792 0.966 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -28.344 4.195 1.399 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -26.990 6.278 1.241 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -29.533 4.835 0.735 1.00 0.00 C ATOM 0 H ILE A 997 -26.434 2.490 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 997 -27.504 5.042 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 997 -26.221 4.308 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -28.345 3.128 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -28.444 4.295 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -27.177 6.455 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -26.015 6.685 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -27.763 6.768 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -30.448 4.360 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.557 5.897 0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -29.457 4.712 -0.345 1.00 0.00 H new ATOM 1574 N GLY A 998 -25.121 5.273 -2.173 1.00 0.00 N ATOM 1575 CA GLY A 998 -23.844 5.808 -2.612 1.00 0.00 C ATOM 1576 C GLY A 998 -23.505 5.441 -4.044 1.00 0.00 C ATOM 1577 O GLY A 998 -24.393 5.272 -4.879 1.00 0.00 O ATOM 0 H GLY A 998 -25.779 5.062 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -23.859 6.894 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -23.057 5.441 -1.953 1.00 0.00 H new ATOM 1581 N HIS A 999 -22.209 5.318 -4.324 1.00 0.00 N ATOM 1582 CA HIS A 999 -21.737 4.968 -5.661 1.00 0.00 C ATOM 1583 C HIS A 999 -21.712 3.456 -5.858 1.00 0.00 C ATOM 1584 O HIS A 999 -21.509 2.972 -6.972 1.00 0.00 O ATOM 1585 CB HIS A 999 -20.344 5.554 -5.906 1.00 0.00 C ATOM 1586 CG HIS A 999 -20.302 7.052 -5.851 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -19.162 7.783 -6.112 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -21.267 7.959 -5.563 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -19.427 9.071 -5.985 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -20.697 9.204 -5.654 1.00 0.00 N ATOM 0 H HIS A 999 -21.465 5.456 -3.640 1.00 0.00 H new ATOM 0 HA HIS A 999 -22.433 5.394 -6.384 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -19.655 5.153 -5.163 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -19.988 5.225 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -22.294 7.742 -5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -18.723 9.878 -6.128 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -21.178 10.089 -5.492 1.00 0.00 H new ATOM 1599 N SER A1000 -21.918 2.719 -4.767 1.00 0.00 N ATOM 1600 CA SER A1000 -21.925 1.256 -4.801 1.00 0.00 C ATOM 1601 C SER A1000 -20.519 0.695 -5.008 1.00 0.00 C ATOM 1602 O SER A1000 -20.318 -0.520 -4.969 1.00 0.00 O ATOM 1603 CB SER A1000 -22.849 0.747 -5.911 1.00 0.00 C ATOM 1604 OG SER A1000 -24.134 1.338 -5.825 1.00 0.00 O ATOM 0 H SER A1000 -22.084 3.115 -3.842 1.00 0.00 H new ATOM 0 HA SER A1000 -22.296 0.910 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A1000 -22.409 0.969 -6.883 1.00 0.00 H new ATOM 0 HB3 SER A1000 -22.940 -0.337 -5.842 1.00 0.00 H new ATOM 0 HG SER A1000 -24.701 0.995 -6.547 1.00 0.00 H new ATOM 1610 N SER A1001 -19.550 1.578 -5.234 1.00 0.00 N ATOM 1611 CA SER A1001 -18.169 1.157 -5.453 1.00 0.00 C ATOM 1612 C SER A1001 -17.190 2.275 -5.107 1.00 0.00 C ATOM 1613 O SER A1001 -17.508 3.457 -5.244 1.00 0.00 O ATOM 1614 CB SER A1001 -17.973 0.723 -6.907 1.00 0.00 C ATOM 1615 OG SER A1001 -18.815 -0.369 -7.233 1.00 0.00 O ATOM 0 H SER A1001 -19.695 2.587 -5.270 1.00 0.00 H new ATOM 0 HA SER A1001 -17.967 0.312 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A1001 -18.186 1.561 -7.571 1.00 0.00 H new ATOM 0 HB3 SER A1001 -16.932 0.444 -7.069 1.00 0.00 H new ATOM 0 HG SER A1001 -18.671 -0.625 -8.168 1.00 0.00 H new ATOM 1621 N ALA A1002 -15.996 1.893 -4.660 1.00 0.00 N ATOM 1622 CA ALA A1002 -14.968 2.861 -4.294 1.00 0.00 C ATOM 1623 C ALA A1002 -13.574 2.253 -4.422 1.00 0.00 C ATOM 1624 O ALA A1002 -13.330 1.137 -3.964 1.00 0.00 O ATOM 1625 CB ALA A1002 -15.197 3.368 -2.879 1.00 0.00 C ATOM 0 H ALA A1002 -15.717 0.919 -4.543 1.00 0.00 H new ATOM 0 HA ALA A1002 -15.035 3.703 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.422 4.089 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -16.174 3.848 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -15.160 2.531 -2.182 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.667 2.994 -5.053 1.00 0.00 N ATOM 1632 CA GLU A1003 -11.297 2.527 -5.252 1.00 0.00 C ATOM 1633 C GLU A1003 -10.368 3.063 -4.169 1.00 0.00 C ATOM 1634 O GLU A1003 -10.371 4.257 -3.874 1.00 0.00 O ATOM 1635 CB GLU A1003 -10.786 2.974 -6.624 1.00 0.00 C ATOM 1636 CG GLU A1003 -9.411 2.426 -6.972 1.00 0.00 C ATOM 1637 CD GLU A1003 -8.929 2.877 -8.337 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -9.673 3.616 -9.017 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -7.807 2.492 -8.728 1.00 0.00 O ATOM 0 H GLU A1003 -12.856 3.921 -5.436 1.00 0.00 H new ATOM 0 HA GLU A1003 -11.303 1.438 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -11.497 2.658 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -10.751 4.063 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -8.695 2.745 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -9.441 1.337 -6.943 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.556 2.179 -3.594 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.607 2.585 -2.564 1.00 0.00 C ATOM 1648 C CYS A1004 -7.486 3.402 -3.192 1.00 0.00 C ATOM 1649 O CYS A1004 -6.795 2.927 -4.094 1.00 0.00 O ATOM 1650 CB CYS A1004 -8.031 1.358 -1.853 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.720 1.735 -0.641 1.00 0.00 S ATOM 0 H CYS A1004 -9.537 1.185 -3.822 1.00 0.00 H new ATOM 0 HA CYS A1004 -9.127 3.197 -1.827 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.840 0.835 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.631 0.674 -2.601 1.00 0.00 H new ATOM 1656 N ILE A1005 -7.316 4.634 -2.727 1.00 0.00 N ATOM 1657 CA ILE A1005 -6.282 5.504 -3.270 1.00 0.00 C ATOM 1658 C ILE A1005 -5.519 6.229 -2.164 1.00 0.00 C ATOM 1659 O ILE A1005 -5.389 5.722 -1.049 1.00 0.00 O ATOM 1660 CB ILE A1005 -6.883 6.542 -4.240 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -7.943 7.386 -3.527 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -7.478 5.844 -5.456 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -8.531 8.484 -4.388 1.00 0.00 C ATOM 0 H ILE A1005 -7.875 5.049 -1.982 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.586 4.865 -3.814 1.00 0.00 H new ATOM 0 HB ILE A1005 -6.088 7.207 -4.579 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -8.747 6.732 -3.189 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.500 7.833 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -7.899 6.588 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -6.698 5.284 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -8.264 5.160 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -9.274 9.038 -3.814 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -7.738 9.161 -4.705 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -9.005 8.044 -5.265 1.00 0.00 H new ATOM 1675 N LEU A1006 -5.010 7.416 -2.484 1.00 0.00 N ATOM 1676 CA LEU A1006 -4.250 8.209 -1.526 1.00 0.00 C ATOM 1677 C LEU A1006 -4.299 9.690 -1.899 1.00 0.00 C ATOM 1678 O LEU A1006 -4.224 10.045 -3.076 1.00 0.00 O ATOM 1679 CB LEU A1006 -2.802 7.703 -1.472 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.888 8.392 -0.452 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -0.702 7.498 -0.118 1.00 0.00 C ATOM 1682 CD2 LEU A1006 -1.404 9.733 -0.980 1.00 0.00 C ATOM 0 H LEU A1006 -5.111 7.849 -3.402 1.00 0.00 H new ATOM 0 HA LEU A1006 -4.695 8.100 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.819 6.635 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -2.361 7.818 -2.462 1.00 0.00 H new ATOM 0 HG LEU A1006 -2.463 8.569 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -0.061 7.999 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -1.061 6.559 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -0.133 7.294 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A1006 -0.757 10.204 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A1006 -0.847 9.580 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A1006 -2.261 10.378 -1.175 1.00 0.00 H new ATOM 1694 N SER A1007 -4.433 10.547 -0.892 1.00 0.00 N ATOM 1695 CA SER A1007 -4.504 11.988 -1.116 1.00 0.00 C ATOM 1696 C SER A1007 -3.111 12.612 -1.148 1.00 0.00 C ATOM 1697 O SER A1007 -2.725 13.241 -2.135 1.00 0.00 O ATOM 1698 CB SER A1007 -5.344 12.647 -0.019 1.00 0.00 C ATOM 1699 OG SER A1007 -5.425 14.049 -0.209 1.00 0.00 O ATOM 0 H SER A1007 -4.495 10.269 0.088 1.00 0.00 H new ATOM 0 HA SER A1007 -4.974 12.157 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A1007 -6.346 12.219 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A1007 -4.906 12.434 0.956 1.00 0.00 H new ATOM 0 HG SER A1007 -5.968 14.445 0.504 1.00 0.00 H new ATOM 1705 N GLY A1008 -2.360 12.433 -0.067 1.00 0.00 N ATOM 1706 CA GLY A1008 -1.017 12.980 0.007 1.00 0.00 C ATOM 1707 C GLY A1008 -0.439 12.894 1.405 1.00 0.00 C ATOM 1708 O GLY A1008 0.289 13.786 1.841 1.00 0.00 O ATOM 0 H GLY A1008 -2.658 11.918 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A1008 -0.369 12.443 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -1.033 14.021 -0.314 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.772 11.815 2.106 1.00 0.00 N ATOM 1713 CA ASN A1009 -0.299 11.595 3.469 1.00 0.00 C ATOM 1714 C ASN A1009 -0.911 10.325 4.032 1.00 0.00 C ATOM 1715 O ASN A1009 -0.284 9.598 4.802 1.00 0.00 O ATOM 1716 CB ASN A1009 -0.687 12.770 4.369 1.00 0.00 C ATOM 1717 CG ASN A1009 -0.009 12.728 5.729 1.00 0.00 C ATOM 1718 OD1 ASN A1009 -0.265 13.576 6.584 1.00 0.00 O ATOM 1719 ND2 ASN A1009 0.866 11.749 5.937 1.00 0.00 N ATOM 0 H ASN A1009 -1.373 11.073 1.749 1.00 0.00 H new ATOM 0 HA ASN A1009 0.787 11.504 3.441 1.00 0.00 H new ATOM 0 HB2 ASN A1009 -0.428 13.704 3.869 1.00 0.00 H new ATOM 0 HB3 ASN A1009 -1.768 12.772 4.508 1.00 0.00 H new ATOM 0 HD21 ASN A1009 1.353 11.681 6.831 1.00 0.00 H new ATOM 0 HD22 ASN A1009 1.051 11.065 5.203 1.00 0.00 H new ATOM 1726 N THR A1010 -2.157 10.085 3.651 1.00 0.00 N ATOM 1727 CA THR A1010 -2.892 8.928 4.123 1.00 0.00 C ATOM 1728 C THR A1010 -3.798 8.369 3.030 1.00 0.00 C ATOM 1729 O THR A1010 -4.371 9.120 2.240 1.00 0.00 O ATOM 1730 CB THR A1010 -3.742 9.300 5.351 1.00 0.00 C ATOM 1731 OG1 THR A1010 -2.893 9.710 6.429 1.00 0.00 O ATOM 1732 CG2 THR A1010 -4.598 8.131 5.794 1.00 0.00 C ATOM 0 H THR A1010 -2.681 10.683 3.012 1.00 0.00 H new ATOM 0 HA THR A1010 -2.166 8.163 4.400 1.00 0.00 H new ATOM 0 HB THR A1010 -4.399 10.123 5.071 1.00 0.00 H new ATOM 0 HG1 THR A1010 -3.442 9.946 7.206 1.00 0.00 H new ATOM 0 HG21 THR A1010 -5.188 8.421 6.663 1.00 0.00 H new ATOM 0 HG22 THR A1010 -5.265 7.841 4.983 1.00 0.00 H new ATOM 0 HG23 THR A1010 -3.957 7.289 6.055 1.00 0.00 H new ATOM 1740 N ALA A1011 -3.923 7.047 2.994 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.758 6.385 2.000 1.00 0.00 C ATOM 1742 C ALA A1011 -6.229 6.463 2.390 1.00 0.00 C ATOM 1743 O ALA A1011 -6.573 6.393 3.570 1.00 0.00 O ATOM 1744 CB ALA A1011 -4.331 4.935 1.833 1.00 0.00 C ATOM 0 H ALA A1011 -3.456 6.413 3.642 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.630 6.900 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.963 4.453 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -3.292 4.897 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -4.431 4.414 2.785 1.00 0.00 H new ATOM 1750 N HIS A1012 -7.095 6.612 1.392 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.530 6.706 1.636 1.00 0.00 C ATOM 1752 C HIS A1012 -9.318 6.325 0.387 1.00 0.00 C ATOM 1753 O HIS A1012 -8.860 6.538 -0.736 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.906 8.122 2.080 1.00 0.00 C ATOM 1755 CG HIS A1012 -8.670 9.167 1.032 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -9.303 9.162 -0.193 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -7.866 10.257 1.032 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -8.900 10.202 -0.900 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -8.028 10.882 -0.180 1.00 0.00 N ATOM 0 H HIS A1012 -6.829 6.670 0.409 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.784 6.007 2.433 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.958 8.136 2.364 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -8.332 8.378 2.971 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -9.978 8.463 -0.505 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -7.218 10.575 1.835 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -9.228 10.453 -1.898 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.501 5.757 0.591 1.00 0.00 N ATOM 1769 CA TRP A1013 -11.347 5.346 -0.520 1.00 0.00 C ATOM 1770 C TRP A1013 -11.794 6.555 -1.336 1.00 0.00 C ATOM 1771 O TRP A1013 -12.099 7.612 -0.785 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.561 4.568 -0.010 1.00 0.00 C ATOM 1773 CG TRP A1013 -12.189 3.413 0.869 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -12.156 3.397 2.234 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.765 2.113 0.442 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -11.756 2.161 2.682 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -11.507 1.357 1.602 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.584 1.513 -0.808 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -11.077 0.033 1.547 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -11.156 0.199 -0.859 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.907 -0.528 0.312 1.00 0.00 C ATOM 0 H TRP A1013 -10.894 5.571 1.514 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.763 4.693 -1.168 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -13.212 5.244 0.544 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -13.134 4.200 -0.861 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -12.408 4.234 2.869 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -11.660 1.887 3.660 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.775 2.065 -1.716 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -10.885 -0.530 2.448 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -11.011 -0.275 -1.819 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.574 -1.553 0.238 1.00 0.00 H new ATOM 1792 N SER A1014 -11.813 6.388 -2.653 1.00 0.00 N ATOM 1793 CA SER A1014 -12.204 7.459 -3.566 1.00 0.00 C ATOM 1794 C SER A1014 -13.575 8.030 -3.216 1.00 0.00 C ATOM 1795 O SER A1014 -13.843 9.207 -3.459 1.00 0.00 O ATOM 1796 CB SER A1014 -12.209 6.945 -5.006 1.00 0.00 C ATOM 1797 OG SER A1014 -12.578 7.970 -5.913 1.00 0.00 O ATOM 0 H SER A1014 -11.561 5.515 -3.117 1.00 0.00 H new ATOM 0 HA SER A1014 -11.473 8.261 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.220 6.566 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A1014 -12.903 6.109 -5.095 1.00 0.00 H new ATOM 0 HG SER A1014 -12.572 7.616 -6.827 1.00 0.00 H new ATOM 1803 N THR A1015 -14.447 7.195 -2.658 1.00 0.00 N ATOM 1804 CA THR A1015 -15.790 7.634 -2.298 1.00 0.00 C ATOM 1805 C THR A1015 -16.244 7.032 -0.972 1.00 0.00 C ATOM 1806 O THR A1015 -15.936 5.880 -0.662 1.00 0.00 O ATOM 1807 CB THR A1015 -16.812 7.259 -3.388 1.00 0.00 C ATOM 1808 OG1 THR A1015 -16.877 5.836 -3.533 1.00 0.00 O ATOM 1809 CG2 THR A1015 -16.433 7.889 -4.721 1.00 0.00 C ATOM 0 H THR A1015 -14.249 6.217 -2.447 1.00 0.00 H new ATOM 0 HA THR A1015 -15.744 8.719 -2.200 1.00 0.00 H new ATOM 0 HB THR A1015 -17.788 7.638 -3.085 1.00 0.00 H new ATOM 0 HG1 THR A1015 -17.245 5.613 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A1015 -17.168 7.611 -5.477 1.00 0.00 H new ATOM 0 HG22 THR A1015 -16.411 8.974 -4.618 1.00 0.00 H new ATOM 0 HG23 THR A1015 -15.448 7.533 -5.025 1.00 0.00 H new ATOM 1817 N LYS A1016 -16.978 7.826 -0.197 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.487 7.389 1.101 1.00 0.00 C ATOM 1819 C LYS A1016 -18.217 6.054 0.989 1.00 0.00 C ATOM 1820 O LYS A1016 -18.861 5.774 -0.022 1.00 0.00 O ATOM 1821 CB LYS A1016 -18.433 8.440 1.683 1.00 0.00 C ATOM 1822 CG LYS A1016 -17.748 9.745 2.053 1.00 0.00 C ATOM 1823 CD LYS A1016 -18.747 10.774 2.560 1.00 0.00 C ATOM 1824 CE LYS A1016 -19.516 10.266 3.771 1.00 0.00 C ATOM 1825 NZ LYS A1016 -20.481 11.279 4.281 1.00 0.00 N ATOM 0 H LYS A1016 -17.235 8.781 -0.447 1.00 0.00 H new ATOM 0 HA LYS A1016 -16.632 7.262 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -19.221 8.647 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -18.915 8.030 2.570 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -16.996 9.558 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -17.225 10.142 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -18.222 11.692 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -19.448 11.024 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -20.053 9.355 3.504 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -18.814 10.002 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -20.985 10.894 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -19.967 12.139 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -21.167 11.512 3.535 1.00 0.00 H new ATOM 1839 N PRO A1017 -18.126 5.213 2.032 1.00 0.00 N ATOM 1840 CA PRO A1017 -18.784 3.904 2.046 1.00 0.00 C ATOM 1841 C PRO A1017 -20.302 4.030 1.948 1.00 0.00 C ATOM 1842 O PRO A1017 -20.939 4.631 2.813 1.00 0.00 O ATOM 1843 CB PRO A1017 -18.384 3.306 3.402 1.00 0.00 C ATOM 1844 CG PRO A1017 -17.194 4.092 3.840 1.00 0.00 C ATOM 1845 CD PRO A1017 -17.384 5.469 3.276 1.00 0.00 C ATOM 0 HA PRO A1017 -18.485 3.289 1.197 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -19.197 3.387 4.123 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -18.144 2.247 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -17.123 4.121 4.927 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.272 3.643 3.472 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -17.944 6.111 3.956 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -16.431 5.962 3.084 1.00 0.00 H new ATOM 1853 N PRO A1018 -20.902 3.466 0.887 1.00 0.00 N ATOM 1854 CA PRO A1018 -22.352 3.522 0.679 1.00 0.00 C ATOM 1855 C PRO A1018 -23.126 2.748 1.741 1.00 0.00 C ATOM 1856 O PRO A1018 -22.662 1.720 2.238 1.00 0.00 O ATOM 1857 CB PRO A1018 -22.549 2.891 -0.700 1.00 0.00 C ATOM 1858 CG PRO A1018 -21.340 2.050 -0.918 1.00 0.00 C ATOM 1859 CD PRO A1018 -20.216 2.735 -0.194 1.00 0.00 C ATOM 0 HA PRO A1018 -22.728 4.543 0.747 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -23.458 2.290 -0.732 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -22.643 3.654 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -21.493 1.042 -0.534 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -21.118 1.956 -1.981 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -19.496 2.018 0.200 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -19.667 3.410 -0.851 1.00 0.00 H new ATOM 1867 N ILE A1019 -24.306 3.254 2.087 1.00 0.00 N ATOM 1868 CA ILE A1019 -25.149 2.620 3.095 1.00 0.00 C ATOM 1869 C ILE A1019 -26.219 1.752 2.440 1.00 0.00 C ATOM 1870 O ILE A1019 -26.022 1.206 1.354 1.00 0.00 O ATOM 1871 CB ILE A1019 -25.854 3.678 3.973 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -25.032 4.964 4.049 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -26.091 3.126 5.373 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -25.774 6.105 4.714 1.00 0.00 C ATOM 0 H ILE A1019 -24.701 4.103 1.683 1.00 0.00 H new ATOM 0 HA ILE A1019 -24.498 2.003 3.714 1.00 0.00 H new ATOM 0 HB ILE A1019 -26.814 3.913 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -24.111 4.768 4.599 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -24.744 5.264 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -26.588 3.881 5.982 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -26.719 2.237 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -25.135 2.865 5.828 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -25.137 6.989 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -26.681 6.326 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -26.039 5.822 5.733 1.00 0.00 H new ATOM 1886 N CYS A1020 -27.357 1.649 3.114 1.00 0.00 N ATOM 1887 CA CYS A1020 -28.494 0.877 2.636 1.00 0.00 C ATOM 1888 C CYS A1020 -29.770 1.435 3.248 1.00 0.00 C ATOM 1889 O CYS A1020 -29.793 1.797 4.425 1.00 0.00 O ATOM 1890 CB CYS A1020 -28.341 -0.601 3.002 1.00 0.00 C ATOM 1891 SG CYS A1020 -26.911 -1.423 2.229 1.00 0.00 S ATOM 0 H CYS A1020 -27.517 2.102 4.014 1.00 0.00 H new ATOM 0 HA CYS A1020 -28.542 0.954 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -28.253 -0.687 4.085 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -29.249 -1.130 2.713 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.824 1.528 2.450 1.00 0.00 N ATOM 1897 CA GLN A1021 -32.086 2.070 2.936 1.00 0.00 C ATOM 1898 C GLN A1021 -33.267 1.395 2.251 1.00 0.00 C ATOM 1899 O GLN A1021 -33.309 1.300 1.027 1.00 0.00 O ATOM 1900 CB GLN A1021 -32.126 3.578 2.680 1.00 0.00 C ATOM 1901 CG GLN A1021 -32.730 4.378 3.819 1.00 0.00 C ATOM 1902 CD GLN A1021 -32.745 5.868 3.540 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -33.386 6.328 2.594 1.00 0.00 O ATOM 1904 NE2 GLN A1021 -32.031 6.629 4.361 1.00 0.00 N ATOM 0 H GLN A1021 -30.832 1.238 1.472 1.00 0.00 H new ATOM 0 HA GLN A1021 -32.159 1.878 4.007 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -31.112 3.933 2.497 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -32.698 3.768 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -33.749 4.035 3.999 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -32.164 4.188 4.731 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -31.516 6.204 5.132 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -31.998 7.639 4.221 1.00 0.00 H new ATOM 1913 N ARG A1022 -34.224 0.926 3.047 1.00 0.00 N ATOM 1914 CA ARG A1022 -35.401 0.256 2.508 1.00 0.00 C ATOM 1915 C ARG A1022 -36.025 1.053 1.380 1.00 0.00 C ATOM 1916 O ARG A1022 -36.276 2.253 1.503 1.00 0.00 O ATOM 1917 CB ARG A1022 -36.441 0.008 3.602 1.00 0.00 C ATOM 1918 CG ARG A1022 -37.753 -0.537 3.062 1.00 0.00 C ATOM 1919 CD ARG A1022 -38.735 -0.856 4.175 1.00 0.00 C ATOM 1920 NE ARG A1022 -39.064 0.320 4.975 1.00 0.00 N ATOM 1921 CZ ARG A1022 -39.908 0.302 6.003 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -40.502 -0.831 6.357 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -40.157 1.414 6.680 1.00 0.00 N ATOM 0 H ARG A1022 -34.207 0.998 4.064 1.00 0.00 H new ATOM 0 HA ARG A1022 -35.070 -0.704 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -36.034 -0.694 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -36.632 0.941 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -38.197 0.192 2.384 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -37.560 -1.438 2.479 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -39.648 -1.267 3.745 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -38.312 -1.626 4.821 1.00 0.00 H new ATOM 0 HE ARG A1022 -38.621 1.206 4.732 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -40.312 -1.690 5.841 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -41.149 -0.843 7.146 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -39.701 2.286 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -40.805 1.397 7.468 1.00 0.00 H new ATOM 1937 N ILE A1023 -36.270 0.361 0.280 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.864 0.966 -0.891 1.00 0.00 C ATOM 1939 C ILE A1023 -38.360 1.204 -0.690 1.00 0.00 C ATOM 1940 O ILE A1023 -39.094 0.293 -0.309 1.00 0.00 O ATOM 1941 CB ILE A1023 -36.648 0.074 -2.124 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -35.152 -0.121 -2.384 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -37.330 0.683 -3.329 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -34.850 -1.048 -3.542 1.00 0.00 C ATOM 0 H ILE A1023 -36.062 -0.632 0.178 1.00 0.00 H new ATOM 0 HA ILE A1023 -36.376 1.928 -1.050 1.00 0.00 H new ATOM 0 HB ILE A1023 -37.089 -0.905 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -34.697 0.850 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.684 -0.516 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -37.172 0.044 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -38.399 0.774 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -36.912 1.671 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -33.771 -1.137 -3.665 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -35.274 -2.032 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -35.287 -0.644 -4.455 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.832 2.437 -0.944 1.00 0.00 N ATOM 1957 CA PRO A1024 -40.248 2.794 -0.788 1.00 0.00 C ATOM 1958 C PRO A1024 -41.154 1.986 -1.712 1.00 0.00 C ATOM 1959 O PRO A1024 -40.634 1.399 -2.684 1.00 0.00 O ATOM 1960 CB PRO A1024 -40.285 4.280 -1.167 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.884 4.747 -0.985 1.00 0.00 C ATOM 1962 CD PRO A1024 -38.033 3.587 -1.399 1.00 0.00 C ATOM 1963 OXT PRO A1024 -42.376 1.948 -1.456 1.00 0.00 O ATOM 0 HA PRO A1024 -40.611 2.588 0.219 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -40.619 4.419 -2.195 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -40.974 4.835 -0.530 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -38.678 5.626 -1.596 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -38.693 5.027 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.868 3.567 -2.476 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -37.051 3.613 -0.926 1.00 0.00 H new TER 1971 PRO A1024