USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=41 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 978 THR OG1 : rot 180:sc= 0.77 USER MOD Set 1.2: A 984 SER OG : rot 88:sc= 1.3 USER MOD Set 2.1: A 927 SER OG : rot 180:sc= 0.328 USER MOD Set 2.2: A 942 SER OG : rot -82:sc= -0.929 USER MOD Set 2.3: A 944 THR OG1 : rot 180:sc= -0.584 USER MOD Set 3.1: A 915 THR OG1 : rot 180:sc= 0.471 USER MOD Set 3.2: A 916 GLN : amide:sc= -2.55! C(o=-2.1!,f=-5.8!) USER MOD Set 4.1: A 912 LYS NZ :NH3+ -148:sc= -2.26 (180deg=-3.07!) USER MOD Set 4.2: A 914 LYS NZ :NH3+ -152:sc= -4.39! (180deg=-5.04!) USER MOD Single : A 901 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-4.8!) USER MOD Single : A 903 GLN :FLIP amide:sc= -0.613 F(o=-3.1!,f=-0.61) USER MOD Single : A 907 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 917 THR OG1 : rot 26:sc= 0.271 USER MOD Single : A 918 THR OG1 : rot 7:sc= 0.499 USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 926 THR OG1 : rot 70:sc= -2.28! USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 930 TYR OH : rot -58:sc= -2.17! 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 948 ASN : amide:sc= -0.663 X(o=-0.66,f=-0.66) USER MOD Single : A 952 SER OG : rot 180:sc= 0 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 959 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.4) USER MOD Single : A 961 LYS NZ :NH3+ 176:sc= 0.273 (180deg=0.267) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ 165:sc= 1.35 (180deg=1.06) USER MOD Single : A 965 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 971 ASN :FLIP amide:sc= -2.12! C(o=-3.3!,f=-2.1!) USER MOD Single : A 973 MET CE :methyl -171:sc= 0 (180deg=-0.0542) USER MOD Single : A 975 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.15) USER MOD Single : A 981 GLN :FLIP amide:sc= -2.63! C(o=-6.6!,f=-2.6!) USER MOD Single : A 987 THR OG1 : rot 180:sc= 0.273! USER MOD Single : A 988 TYR OH : rot 30:sc= -1.24 USER MOD Single : A 989 SER OG : rot 180:sc= 0 USER MOD Single : A 991 THR OG1 : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.7!) USER MOD Single : A 999 HIS :FLIP no HD1:sc= -1.09 F(o=-2.2!,f=-1.1) USER MOD Single : A1000 SER OG : rot 180:sc= 0 USER MOD Single : A1001 SER OG : rot 180:sc= -0.0392 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1009 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.3) USER MOD Single : A1010 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A1012 HIS : no HE2:sc= -3.1 K(o=-3.1,f=-6.8!) USER MOD Single : A1014 SER OG : rot -158:sc= -1.49! USER MOD Single : A1015 THR OG1 : rot -156:sc= -1.68! USER MOD Single : A1016 LYS NZ :NH3+ 165:sc= -0.029 (180deg=-0.268) USER MOD Single : A1021 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 897 43.815 -0.780 4.366 1.00 0.00 N ATOM 2 CA GLU A 897 43.908 -0.866 2.885 1.00 0.00 C ATOM 3 C GLU A 897 42.558 -1.213 2.267 1.00 0.00 C ATOM 4 O GLU A 897 41.866 -2.121 2.729 1.00 0.00 O ATOM 5 CB GLU A 897 44.944 -1.934 2.525 1.00 0.00 C ATOM 6 CG GLU A 897 45.130 -2.121 1.027 1.00 0.00 C ATOM 7 CD GLU A 897 46.150 -3.193 0.694 1.00 0.00 C ATOM 8 OE1 GLU A 897 46.713 -3.791 1.634 1.00 0.00 O ATOM 9 OE2 GLU A 897 46.384 -3.435 -0.509 1.00 0.00 O ATOM 0 HA GLU A 897 44.211 0.103 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 897 45.901 -1.664 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 897 44.643 -2.884 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 897 44.173 -2.383 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 897 45.444 -1.176 0.583 1.00 0.00 H new ATOM 18 N ALA A 898 42.188 -0.484 1.218 1.00 0.00 N ATOM 19 CA ALA A 898 40.922 -0.713 0.531 1.00 0.00 C ATOM 20 C ALA A 898 40.898 -2.087 -0.129 1.00 0.00 C ATOM 21 O ALA A 898 41.875 -2.502 -0.752 1.00 0.00 O ATOM 22 CB ALA A 898 40.678 0.376 -0.502 1.00 0.00 C ATOM 0 H ALA A 898 42.749 0.272 0.825 1.00 0.00 H new ATOM 0 HA ALA A 898 40.123 -0.680 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 898 39.730 0.192 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 898 40.643 1.346 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 898 41.486 0.371 -1.234 1.00 0.00 H new ATOM 28 N GLU A 899 39.777 -2.789 0.012 1.00 0.00 N ATOM 29 CA GLU A 899 39.626 -4.118 -0.570 1.00 0.00 C ATOM 30 C GLU A 899 38.202 -4.636 -0.394 1.00 0.00 C ATOM 31 O GLU A 899 37.599 -4.471 0.667 1.00 0.00 O ATOM 32 CB GLU A 899 40.618 -5.092 0.069 1.00 0.00 C ATOM 33 CG GLU A 899 40.446 -5.238 1.572 1.00 0.00 C ATOM 34 CD GLU A 899 41.454 -6.189 2.185 1.00 0.00 C ATOM 35 OE1 GLU A 899 41.470 -7.374 1.790 1.00 0.00 O ATOM 36 OE2 GLU A 899 42.229 -5.749 3.061 1.00 0.00 O ATOM 0 H GLU A 899 38.960 -2.459 0.525 1.00 0.00 H new ATOM 0 HA GLU A 899 39.834 -4.043 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 899 40.505 -6.071 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 899 41.633 -4.754 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 899 40.543 -4.259 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 899 39.439 -5.595 1.786 1.00 0.00 H new ATOM 43 N ALA A 900 37.676 -5.262 -1.445 1.00 0.00 N ATOM 44 CA ALA A 900 36.322 -5.812 -1.424 1.00 0.00 C ATOM 45 C ALA A 900 35.276 -4.711 -1.312 1.00 0.00 C ATOM 46 O ALA A 900 35.349 -3.859 -0.428 1.00 0.00 O ATOM 47 CB ALA A 900 36.164 -6.799 -0.281 1.00 0.00 C ATOM 0 H ALA A 900 38.170 -5.401 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 900 36.165 -6.334 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 900 35.149 -7.198 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 900 36.875 -7.616 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 900 36.354 -6.293 0.666 1.00 0.00 H new ATOM 53 N HIS A 901 34.298 -4.741 -2.213 1.00 0.00 N ATOM 54 CA HIS A 901 33.228 -3.749 -2.222 1.00 0.00 C ATOM 55 C HIS A 901 31.965 -4.321 -2.860 1.00 0.00 C ATOM 56 O HIS A 901 32.039 -5.091 -3.817 1.00 0.00 O ATOM 57 CB HIS A 901 33.662 -2.495 -2.990 1.00 0.00 C ATOM 58 CG HIS A 901 34.896 -1.841 -2.451 1.00 0.00 C ATOM 59 ND1 HIS A 901 36.161 -2.368 -2.610 1.00 0.00 N ATOM 60 CD2 HIS A 901 35.055 -0.699 -1.741 1.00 0.00 C ATOM 61 CE1 HIS A 901 37.042 -1.580 -2.021 1.00 0.00 C ATOM 62 NE2 HIS A 901 36.397 -0.560 -1.488 1.00 0.00 N ATOM 0 H HIS A 901 34.225 -5.444 -2.948 1.00 0.00 H new ATOM 0 HA HIS A 901 33.014 -3.481 -1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.832 -2.762 -4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 901 32.846 -1.773 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 901 34.272 -0.023 -1.431 1.00 0.00 H new ATOM 0 HE1 HIS A 901 38.109 -1.743 -1.982 1.00 0.00 H new ATOM 0 HE2 HIS A 901 36.826 0.208 -0.971 1.00 0.00 H new ATOM 71 N CYS A 902 30.806 -3.932 -2.333 1.00 0.00 N ATOM 72 CA CYS A 902 29.532 -4.405 -2.864 1.00 0.00 C ATOM 73 C CYS A 902 29.143 -3.615 -4.106 1.00 0.00 C ATOM 74 O CYS A 902 29.026 -2.391 -4.062 1.00 0.00 O ATOM 75 CB CYS A 902 28.423 -4.270 -1.816 1.00 0.00 C ATOM 76 SG CYS A 902 28.518 -5.470 -0.451 1.00 0.00 S ATOM 0 H CYS A 902 30.724 -3.293 -1.542 1.00 0.00 H new ATOM 0 HA CYS A 902 29.652 -5.456 -3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 902 28.456 -3.263 -1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 902 27.458 -4.379 -2.311 1.00 0.00 H new ATOM 81 N GLN A 903 28.935 -4.322 -5.210 1.00 0.00 N ATOM 82 CA GLN A 903 28.551 -3.677 -6.457 1.00 0.00 C ATOM 83 C GLN A 903 27.150 -3.099 -6.353 1.00 0.00 C ATOM 84 O GLN A 903 26.428 -3.355 -5.385 1.00 0.00 O ATOM 85 CB GLN A 903 28.612 -4.660 -7.626 1.00 0.00 C ATOM 86 CG GLN A 903 29.995 -5.242 -7.870 1.00 0.00 C ATOM 87 CD GLN A 903 31.016 -4.204 -8.309 1.00 0.00 C ATOM 88 OE1 GLN A 903 30.566 -2.975 -8.543 1.00 0.00 O flip ATOM 89 NE2 GLN A 903 32.200 -4.510 -8.448 1.00 0.00 N flip ATOM 0 H GLN A 903 29.025 -5.336 -5.266 1.00 0.00 H new ATOM 0 HA GLN A 903 29.259 -2.869 -6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 903 27.913 -5.475 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 903 28.277 -4.154 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 903 30.346 -5.723 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 903 29.926 -6.018 -8.632 1.00 0.00 H new ATOM 0 HE21 GLN A 903 32.506 -5.464 -8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 903 32.875 -3.809 -8.753 1.00 0.00 H new ATOM 98 N ALA A 904 26.776 -2.325 -7.362 1.00 0.00 N ATOM 99 CA ALA A 904 25.462 -1.703 -7.413 1.00 0.00 C ATOM 100 C ALA A 904 24.370 -2.703 -7.041 1.00 0.00 C ATOM 101 O ALA A 904 24.361 -3.833 -7.531 1.00 0.00 O ATOM 102 CB ALA A 904 25.218 -1.133 -8.800 1.00 0.00 C ATOM 0 H ALA A 904 27.371 -2.112 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 904 25.431 -0.892 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 904 24.233 -0.668 -8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 904 25.980 -0.387 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 904 25.266 -1.935 -9.537 1.00 0.00 H new ATOM 108 N PRO A 905 23.435 -2.305 -6.161 1.00 0.00 N ATOM 109 CA PRO A 905 22.338 -3.178 -5.721 1.00 0.00 C ATOM 110 C PRO A 905 21.434 -3.598 -6.874 1.00 0.00 C ATOM 111 O PRO A 905 21.764 -3.387 -8.042 1.00 0.00 O ATOM 112 CB PRO A 905 21.563 -2.312 -4.722 1.00 0.00 C ATOM 113 CG PRO A 905 21.951 -0.910 -5.044 1.00 0.00 C ATOM 114 CD PRO A 905 23.370 -0.979 -5.524 1.00 0.00 C ATOM 0 HA PRO A 905 22.710 -4.110 -5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 905 20.488 -2.457 -4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 905 21.822 -2.567 -3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 905 21.299 -0.490 -5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 905 21.866 -0.269 -4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 905 23.598 -0.180 -6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 905 24.080 -0.890 -4.702 1.00 0.00 H new ATOM 122 N ASP A 906 20.294 -4.196 -6.538 1.00 0.00 N ATOM 123 CA ASP A 906 19.347 -4.650 -7.550 1.00 0.00 C ATOM 124 C ASP A 906 18.072 -5.187 -6.906 1.00 0.00 C ATOM 125 O ASP A 906 18.059 -5.530 -5.724 1.00 0.00 O ATOM 126 CB ASP A 906 19.985 -5.733 -8.413 1.00 0.00 C ATOM 127 CG ASP A 906 19.250 -5.962 -9.720 1.00 0.00 C ATOM 128 OD1 ASP A 906 18.085 -6.411 -9.680 1.00 0.00 O ATOM 129 OD2 ASP A 906 19.841 -5.691 -10.786 1.00 0.00 O ATOM 0 H ASP A 906 20.005 -4.377 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 906 19.083 -3.797 -8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 906 21.018 -5.457 -8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 906 20.014 -6.667 -7.851 1.00 0.00 H new ATOM 134 N HIS A 907 17.010 -5.258 -7.703 1.00 0.00 N ATOM 135 CA HIS A 907 15.715 -5.760 -7.245 1.00 0.00 C ATOM 136 C HIS A 907 15.027 -4.768 -6.307 1.00 0.00 C ATOM 137 O HIS A 907 14.757 -5.075 -5.145 1.00 0.00 O ATOM 138 CB HIS A 907 15.874 -7.121 -6.561 1.00 0.00 C ATOM 139 CG HIS A 907 14.574 -7.778 -6.209 1.00 0.00 C ATOM 140 ND1 HIS A 907 13.627 -8.124 -7.150 1.00 0.00 N ATOM 141 CD2 HIS A 907 14.067 -8.153 -5.011 1.00 0.00 C ATOM 142 CE1 HIS A 907 12.594 -8.683 -6.547 1.00 0.00 C ATOM 143 NE2 HIS A 907 12.836 -8.714 -5.249 1.00 0.00 N ATOM 0 H HIS A 907 17.021 -4.971 -8.682 1.00 0.00 H new ATOM 0 HA HIS A 907 15.081 -5.882 -8.123 1.00 0.00 H new ATOM 0 HB2 HIS A 907 16.439 -7.783 -7.217 1.00 0.00 H new ATOM 0 HB3 HIS A 907 16.463 -6.994 -5.653 1.00 0.00 H new ATOM 0 HD2 HIS A 907 14.542 -8.033 -4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 907 11.703 -9.052 -7.033 1.00 0.00 H new ATOM 0 HE2 HIS A 907 12.210 -9.093 -4.538 1.00 0.00 H new ATOM 152 N PHE A 908 14.731 -3.584 -6.832 1.00 0.00 N ATOM 153 CA PHE A 908 14.055 -2.541 -6.066 1.00 0.00 C ATOM 154 C PHE A 908 13.139 -1.736 -6.975 1.00 0.00 C ATOM 155 O PHE A 908 13.587 -1.134 -7.951 1.00 0.00 O ATOM 156 CB PHE A 908 15.058 -1.595 -5.400 1.00 0.00 C ATOM 157 CG PHE A 908 15.783 -2.183 -4.223 1.00 0.00 C ATOM 158 CD1 PHE A 908 16.801 -3.104 -4.400 1.00 0.00 C ATOM 159 CD2 PHE A 908 15.439 -1.811 -2.934 1.00 0.00 C ATOM 160 CE1 PHE A 908 17.465 -3.643 -3.315 1.00 0.00 C ATOM 161 CE2 PHE A 908 16.098 -2.346 -1.844 1.00 0.00 C ATOM 162 CZ PHE A 908 17.112 -3.264 -2.034 1.00 0.00 C ATOM 0 H PHE A 908 14.950 -3.321 -7.793 1.00 0.00 H new ATOM 0 HA PHE A 908 13.471 -3.031 -5.287 1.00 0.00 H new ATOM 0 HB2 PHE A 908 15.792 -1.282 -6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 908 14.531 -0.698 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 908 17.080 -3.405 -5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 908 14.646 -1.094 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 908 18.259 -4.359 -3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 908 15.820 -2.047 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.628 -3.685 -1.183 1.00 0.00 H new ATOM 172 N LEU A 909 11.851 -1.739 -6.654 1.00 0.00 N ATOM 173 CA LEU A 909 10.860 -1.023 -7.445 1.00 0.00 C ATOM 174 C LEU A 909 9.958 -0.210 -6.535 1.00 0.00 C ATOM 175 O LEU A 909 9.676 0.959 -6.796 1.00 0.00 O ATOM 176 CB LEU A 909 9.992 -2.000 -8.241 1.00 0.00 C ATOM 177 CG LEU A 909 10.695 -3.242 -8.794 1.00 0.00 C ATOM 178 CD1 LEU A 909 11.914 -2.868 -9.626 1.00 0.00 C ATOM 179 CD2 LEU A 909 11.072 -4.200 -7.672 1.00 0.00 C ATOM 0 H LEU A 909 11.468 -2.232 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 909 11.392 -0.366 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 909 9.173 -2.328 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 909 9.547 -1.459 -9.076 1.00 0.00 H new ATOM 0 HG LEU A 909 9.992 -3.753 -9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 909 12.389 -3.774 -10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 909 11.605 -2.244 -10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 909 12.622 -2.318 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 909 11.570 -5.074 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 909 11.745 -3.699 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 909 10.172 -4.514 -7.144 1.00 0.00 H new ATOM 191 N PHE A 910 9.514 -0.849 -5.460 1.00 0.00 N ATOM 192 CA PHE A 910 8.645 -0.204 -4.490 1.00 0.00 C ATOM 193 C PHE A 910 9.468 0.629 -3.524 1.00 0.00 C ATOM 194 O PHE A 910 8.980 1.063 -2.479 1.00 0.00 O ATOM 195 CB PHE A 910 7.828 -1.256 -3.730 1.00 0.00 C ATOM 196 CG PHE A 910 8.628 -2.455 -3.286 1.00 0.00 C ATOM 197 CD1 PHE A 910 9.884 -2.309 -2.715 1.00 0.00 C ATOM 198 CD2 PHE A 910 8.116 -3.734 -3.443 1.00 0.00 C ATOM 199 CE1 PHE A 910 10.612 -3.412 -2.311 1.00 0.00 C ATOM 200 CE2 PHE A 910 8.839 -4.841 -3.040 1.00 0.00 C ATOM 201 CZ PHE A 910 10.089 -4.679 -2.474 1.00 0.00 C ATOM 0 H PHE A 910 9.744 -1.818 -5.239 1.00 0.00 H new ATOM 0 HA PHE A 910 7.956 0.456 -5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.379 -0.788 -2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 910 7.010 -1.594 -4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 910 10.298 -1.320 -2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 910 7.140 -3.867 -3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 910 11.589 -3.283 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 910 8.427 -5.831 -3.167 1.00 0.00 H new ATOM 0 HZ PHE A 910 10.656 -5.543 -2.160 1.00 0.00 H new ATOM 211 N ALA A 911 10.725 0.853 -3.892 1.00 0.00 N ATOM 212 CA ALA A 911 11.632 1.640 -3.066 1.00 0.00 C ATOM 213 C ALA A 911 12.696 2.324 -3.917 1.00 0.00 C ATOM 214 O ALA A 911 13.384 1.679 -4.708 1.00 0.00 O ATOM 215 CB ALA A 911 12.285 0.759 -2.012 1.00 0.00 C ATOM 0 H ALA A 911 11.138 0.501 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 911 11.049 2.414 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 911 12.960 1.360 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.515 0.321 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.848 -0.036 -2.501 1.00 0.00 H new ATOM 221 N LYS A 912 12.816 3.637 -3.752 1.00 0.00 N ATOM 222 CA LYS A 912 13.789 4.417 -4.507 1.00 0.00 C ATOM 223 C LYS A 912 14.949 4.876 -3.627 1.00 0.00 C ATOM 224 O LYS A 912 14.750 5.539 -2.607 1.00 0.00 O ATOM 225 CB LYS A 912 13.100 5.621 -5.151 1.00 0.00 C ATOM 226 CG LYS A 912 12.286 6.451 -4.171 1.00 0.00 C ATOM 227 CD LYS A 912 11.585 7.607 -4.865 1.00 0.00 C ATOM 228 CE LYS A 912 10.737 8.408 -3.891 1.00 0.00 C ATOM 229 NZ LYS A 912 11.547 8.961 -2.771 1.00 0.00 N ATOM 0 H LYS A 912 12.251 4.183 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 912 14.203 3.777 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 912 13.855 6.257 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 912 12.446 5.271 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 912 11.546 5.817 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 912 12.940 6.838 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 912 12.326 8.260 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 912 10.955 7.223 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 912 10.248 9.224 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 912 9.948 7.772 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 10.964 9.007 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 12.368 8.346 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 11.875 9.916 -3.019 1.00 0.00 H new ATOM 243 N LEU A 913 16.161 4.520 -4.041 1.00 0.00 N ATOM 244 CA LEU A 913 17.378 4.889 -3.321 1.00 0.00 C ATOM 245 C LEU A 913 17.414 6.390 -3.035 1.00 0.00 C ATOM 246 O LEU A 913 16.926 7.192 -3.831 1.00 0.00 O ATOM 247 CB LEU A 913 18.607 4.464 -4.140 1.00 0.00 C ATOM 248 CG LEU A 913 19.976 4.731 -3.500 1.00 0.00 C ATOM 249 CD1 LEU A 913 20.342 6.206 -3.588 1.00 0.00 C ATOM 250 CD2 LEU A 913 20.003 4.243 -2.059 1.00 0.00 C ATOM 0 H LEU A 913 16.329 3.969 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 913 17.389 4.371 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.528 3.397 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 913 18.572 4.978 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 913 20.726 4.170 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 913 21.317 6.367 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.381 6.509 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 913 19.591 6.799 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 913 20.983 4.443 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 913 19.239 4.765 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 913 19.807 3.171 -2.034 1.00 0.00 H new ATOM 262 N LYS A 914 18.005 6.766 -1.899 1.00 0.00 N ATOM 263 CA LYS A 914 18.110 8.175 -1.526 1.00 0.00 C ATOM 264 C LYS A 914 19.383 8.460 -0.729 1.00 0.00 C ATOM 265 O LYS A 914 19.534 9.540 -0.157 1.00 0.00 O ATOM 266 CB LYS A 914 16.884 8.606 -0.719 1.00 0.00 C ATOM 267 CG LYS A 914 15.633 8.776 -1.564 1.00 0.00 C ATOM 268 CD LYS A 914 15.776 9.937 -2.536 1.00 0.00 C ATOM 269 CE LYS A 914 14.557 10.069 -3.432 1.00 0.00 C ATOM 270 NZ LYS A 914 14.363 8.864 -4.284 1.00 0.00 N ATOM 0 H LYS A 914 18.415 6.118 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 914 18.157 8.752 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 914 16.691 7.866 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 914 17.103 9.547 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 914 15.438 7.857 -2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 914 14.774 8.946 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 914 15.921 10.863 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 914 16.665 9.791 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 914 13.670 10.226 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 914 14.666 10.949 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 13.876 9.135 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 15.288 8.449 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 13.789 8.165 -3.771 1.00 0.00 H new ATOM 284 N THR A 915 20.301 7.497 -0.701 1.00 0.00 N ATOM 285 CA THR A 915 21.560 7.667 0.020 1.00 0.00 C ATOM 286 C THR A 915 22.469 8.673 -0.697 1.00 0.00 C ATOM 287 O THR A 915 21.985 9.576 -1.379 1.00 0.00 O ATOM 288 CB THR A 915 22.290 6.327 0.187 1.00 0.00 C ATOM 289 OG1 THR A 915 23.400 6.469 1.083 1.00 0.00 O ATOM 290 CG2 THR A 915 22.775 5.847 -1.154 1.00 0.00 C ATOM 0 H THR A 915 20.198 6.595 -1.167 1.00 0.00 H new ATOM 0 HA THR A 915 21.320 8.054 1.010 1.00 0.00 H new ATOM 0 HB THR A 915 21.596 5.598 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 915 23.854 5.606 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 915 23.293 4.896 -1.034 1.00 0.00 H new ATOM 0 HG22 THR A 915 21.924 5.715 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 915 23.459 6.582 -1.578 1.00 0.00 H new ATOM 298 N GLN A 916 23.785 8.512 -0.548 1.00 0.00 N ATOM 299 CA GLN A 916 24.744 9.405 -1.191 1.00 0.00 C ATOM 300 C GLN A 916 25.063 8.936 -2.604 1.00 0.00 C ATOM 301 O GLN A 916 25.110 9.729 -3.544 1.00 0.00 O ATOM 302 CB GLN A 916 26.034 9.502 -0.370 1.00 0.00 C ATOM 303 CG GLN A 916 25.892 10.273 0.938 1.00 0.00 C ATOM 304 CD GLN A 916 24.986 9.591 1.946 1.00 0.00 C ATOM 305 OE1 GLN A 916 23.777 9.482 1.744 1.00 0.00 O ATOM 306 NE2 GLN A 916 25.570 9.124 3.044 1.00 0.00 N ATOM 0 H GLN A 916 24.208 7.772 0.012 1.00 0.00 H new ATOM 0 HA GLN A 916 24.289 10.394 -1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 916 26.385 8.494 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 916 26.802 9.980 -0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 916 26.879 10.407 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 916 25.501 11.268 0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 916 26.576 9.235 3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 916 25.013 8.655 3.758 1.00 0.00 H new ATOM 315 N THR A 917 25.279 7.639 -2.727 1.00 0.00 N ATOM 316 CA THR A 917 25.597 7.010 -4.009 1.00 0.00 C ATOM 317 C THR A 917 26.740 7.721 -4.733 1.00 0.00 C ATOM 318 O THR A 917 27.852 7.805 -4.211 1.00 0.00 O ATOM 319 CB THR A 917 24.368 6.928 -4.934 1.00 0.00 C ATOM 320 OG1 THR A 917 23.705 8.196 -5.002 1.00 0.00 O ATOM 321 CG2 THR A 917 23.400 5.862 -4.450 1.00 0.00 C ATOM 0 H THR A 917 25.240 6.986 -1.944 1.00 0.00 H new ATOM 0 HA THR A 917 25.919 5.996 -3.771 1.00 0.00 H new ATOM 0 HB THR A 917 24.714 6.657 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 917 24.349 8.912 -4.819 1.00 0.00 H new ATOM 0 HG21 THR A 917 22.540 5.822 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 917 23.900 4.893 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 917 23.065 6.105 -3.442 1.00 0.00 H new ATOM 329 N THR A 918 26.466 8.204 -5.947 1.00 0.00 N ATOM 330 CA THR A 918 27.471 8.882 -6.762 1.00 0.00 C ATOM 331 C THR A 918 28.690 7.987 -6.957 1.00 0.00 C ATOM 332 O THR A 918 29.822 8.463 -7.043 1.00 0.00 O ATOM 333 CB THR A 918 27.911 10.227 -6.143 1.00 0.00 C ATOM 334 OG1 THR A 918 28.567 10.012 -4.889 1.00 0.00 O ATOM 335 CG2 THR A 918 26.714 11.144 -5.943 1.00 0.00 C ATOM 0 H THR A 918 25.549 8.136 -6.388 1.00 0.00 H new ATOM 0 HA THR A 918 27.010 9.092 -7.727 1.00 0.00 H new ATOM 0 HB THR A 918 28.608 10.702 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 918 28.696 9.051 -4.748 1.00 0.00 H new ATOM 0 HG21 THR A 918 27.046 12.086 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 918 26.239 11.338 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 918 25.998 10.667 -5.275 1.00 0.00 H new ATOM 343 N ALA A 919 28.436 6.683 -7.022 1.00 0.00 N ATOM 344 CA ALA A 919 29.489 5.694 -7.203 1.00 0.00 C ATOM 345 C ALA A 919 28.890 4.319 -7.485 1.00 0.00 C ATOM 346 O ALA A 919 27.805 4.000 -6.999 1.00 0.00 O ATOM 347 CB ALA A 919 30.372 5.642 -5.970 1.00 0.00 C ATOM 0 H ALA A 919 27.499 6.286 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 919 30.097 5.985 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 919 31.156 4.899 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 919 30.824 6.620 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 919 29.770 5.369 -5.103 1.00 0.00 H new ATOM 353 N SER A 920 29.594 3.509 -8.268 1.00 0.00 N ATOM 354 CA SER A 920 29.113 2.174 -8.601 1.00 0.00 C ATOM 355 C SER A 920 29.512 1.169 -7.526 1.00 0.00 C ATOM 356 O SER A 920 28.678 0.407 -7.036 1.00 0.00 O ATOM 357 CB SER A 920 29.658 1.731 -9.955 1.00 0.00 C ATOM 358 OG SER A 920 29.180 0.444 -10.303 1.00 0.00 O ATOM 0 H SER A 920 30.494 3.752 -8.682 1.00 0.00 H new ATOM 0 HA SER A 920 28.025 2.213 -8.654 1.00 0.00 H new ATOM 0 HB2 SER A 920 29.366 2.450 -10.721 1.00 0.00 H new ATOM 0 HB3 SER A 920 30.748 1.722 -9.926 1.00 0.00 H new ATOM 0 HG SER A 920 29.543 0.185 -11.176 1.00 0.00 H new ATOM 364 N ASP A 921 30.788 1.178 -7.154 1.00 0.00 N ATOM 365 CA ASP A 921 31.289 0.273 -6.126 1.00 0.00 C ATOM 366 C ASP A 921 31.078 0.869 -4.737 1.00 0.00 C ATOM 367 O ASP A 921 31.495 1.996 -4.467 1.00 0.00 O ATOM 368 CB ASP A 921 32.775 -0.016 -6.349 1.00 0.00 C ATOM 369 CG ASP A 921 33.044 -0.657 -7.697 1.00 0.00 C ATOM 370 OD1 ASP A 921 32.726 -0.028 -8.728 1.00 0.00 O ATOM 371 OD2 ASP A 921 33.573 -1.789 -7.721 1.00 0.00 O ATOM 0 H ASP A 921 31.493 1.801 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 921 30.733 -0.662 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 921 33.338 0.914 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 921 33.137 -0.673 -5.559 1.00 0.00 H new ATOM 376 N PHE A 922 30.425 0.112 -3.860 1.00 0.00 N ATOM 377 CA PHE A 922 30.160 0.576 -2.503 1.00 0.00 C ATOM 378 C PHE A 922 31.014 -0.162 -1.476 1.00 0.00 C ATOM 379 O PHE A 922 31.187 -1.377 -1.554 1.00 0.00 O ATOM 380 CB PHE A 922 28.679 0.420 -2.159 1.00 0.00 C ATOM 381 CG PHE A 922 27.785 1.317 -2.963 1.00 0.00 C ATOM 382 CD1 PHE A 922 27.542 1.061 -4.303 1.00 0.00 C ATOM 383 CD2 PHE A 922 27.196 2.424 -2.378 1.00 0.00 C ATOM 384 CE1 PHE A 922 26.726 1.894 -5.044 1.00 0.00 C ATOM 385 CE2 PHE A 922 26.379 3.260 -3.113 1.00 0.00 C ATOM 386 CZ PHE A 922 26.143 2.996 -4.447 1.00 0.00 C ATOM 0 H PHE A 922 30.071 -0.822 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 922 30.426 1.632 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 922 28.383 -0.616 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.535 0.631 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 922 27.995 0.201 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.377 2.637 -1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 922 26.544 1.685 -6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 922 25.925 4.120 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 922 25.504 3.649 -5.023 1.00 0.00 H new ATOM 396 N PRO A 923 31.554 0.572 -0.487 1.00 0.00 N ATOM 397 CA PRO A 923 32.389 -0.008 0.573 1.00 0.00 C ATOM 398 C PRO A 923 31.586 -0.889 1.526 1.00 0.00 C ATOM 399 O PRO A 923 30.436 -0.586 1.842 1.00 0.00 O ATOM 400 CB PRO A 923 32.931 1.219 1.309 1.00 0.00 C ATOM 401 CG PRO A 923 31.920 2.285 1.061 1.00 0.00 C ATOM 402 CD PRO A 923 31.384 2.030 -0.320 1.00 0.00 C ATOM 0 HA PRO A 923 33.166 -0.658 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.046 1.023 2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.912 1.507 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.122 2.247 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.371 3.275 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.338 2.326 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.937 2.589 -1.075 1.00 0.00 H new ATOM 410 N ILE A 924 32.198 -1.980 1.984 1.00 0.00 N ATOM 411 CA ILE A 924 31.534 -2.899 2.904 1.00 0.00 C ATOM 412 C ILE A 924 31.086 -2.174 4.169 1.00 0.00 C ATOM 413 O ILE A 924 31.643 -1.140 4.534 1.00 0.00 O ATOM 414 CB ILE A 924 32.439 -4.082 3.292 1.00 0.00 C ATOM 415 CG1 ILE A 924 32.949 -4.800 2.040 1.00 0.00 C ATOM 416 CG2 ILE A 924 31.670 -5.046 4.181 1.00 0.00 C ATOM 417 CD1 ILE A 924 33.873 -5.962 2.336 1.00 0.00 C ATOM 0 H ILE A 924 33.150 -2.248 1.733 1.00 0.00 H new ATOM 0 HA ILE A 924 30.663 -3.290 2.379 1.00 0.00 H new ATOM 0 HB ILE A 924 33.301 -3.703 3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 924 32.095 -5.163 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 924 33.474 -4.082 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 924 32.314 -5.882 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 924 31.346 -4.528 5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 924 30.798 -5.420 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 924 34.193 -6.420 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 924 34.746 -5.603 2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 924 33.347 -6.701 2.940 1.00 0.00 H new ATOM 429 N GLY A 925 30.062 -2.716 4.822 1.00 0.00 N ATOM 430 CA GLY A 925 29.540 -2.100 6.026 1.00 0.00 C ATOM 431 C GLY A 925 28.554 -1.002 5.695 1.00 0.00 C ATOM 432 O GLY A 925 27.515 -0.867 6.342 1.00 0.00 O ATOM 0 H GLY A 925 29.585 -3.572 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 925 29.053 -2.856 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 925 30.361 -1.690 6.613 1.00 0.00 H new ATOM 436 N THR A 926 28.882 -0.229 4.666 1.00 0.00 N ATOM 437 CA THR A 926 28.027 0.856 4.215 1.00 0.00 C ATOM 438 C THR A 926 26.636 0.340 3.860 1.00 0.00 C ATOM 439 O THR A 926 26.497 -0.652 3.146 1.00 0.00 O ATOM 440 CB THR A 926 28.639 1.559 2.990 1.00 0.00 C ATOM 441 OG1 THR A 926 29.819 2.274 3.373 1.00 0.00 O ATOM 442 CG2 THR A 926 27.643 2.513 2.355 1.00 0.00 C ATOM 0 H THR A 926 29.741 -0.337 4.127 1.00 0.00 H new ATOM 0 HA THR A 926 27.943 1.571 5.033 1.00 0.00 H new ATOM 0 HB THR A 926 28.900 0.796 2.257 1.00 0.00 H new ATOM 0 HG1 THR A 926 30.529 1.637 3.596 1.00 0.00 H new ATOM 0 HG21 THR A 926 28.101 2.996 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.761 1.958 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.350 3.271 3.082 1.00 0.00 H new ATOM 450 N SER A 927 25.611 1.019 4.360 1.00 0.00 N ATOM 451 CA SER A 927 24.233 0.627 4.094 1.00 0.00 C ATOM 452 C SER A 927 23.510 1.703 3.289 1.00 0.00 C ATOM 453 O SER A 927 23.598 2.890 3.606 1.00 0.00 O ATOM 454 CB SER A 927 23.500 0.367 5.413 1.00 0.00 C ATOM 455 OG SER A 927 22.206 -0.159 5.185 1.00 0.00 O ATOM 0 H SER A 927 25.708 1.844 4.952 1.00 0.00 H new ATOM 0 HA SER A 927 24.241 -0.290 3.505 1.00 0.00 H new ATOM 0 HB2 SER A 927 24.077 -0.330 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 927 23.423 1.296 5.979 1.00 0.00 H new ATOM 0 HG SER A 927 21.761 -0.316 6.044 1.00 0.00 H new ATOM 461 N LEU A 928 22.798 1.285 2.244 1.00 0.00 N ATOM 462 CA LEU A 928 22.066 2.221 1.395 1.00 0.00 C ATOM 463 C LEU A 928 20.609 2.330 1.833 1.00 0.00 C ATOM 464 O LEU A 928 19.908 1.325 1.943 1.00 0.00 O ATOM 465 CB LEU A 928 22.135 1.779 -0.068 1.00 0.00 C ATOM 466 CG LEU A 928 23.546 1.650 -0.644 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.485 1.258 -2.112 1.00 0.00 C ATOM 468 CD2 LEU A 928 24.315 2.949 -0.468 1.00 0.00 C ATOM 0 H LEU A 928 22.713 0.307 1.966 1.00 0.00 H new ATOM 0 HA LEU A 928 22.533 3.201 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 928 21.631 0.817 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.577 2.493 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 928 24.072 0.866 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 928 24.497 1.170 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 928 22.972 0.302 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 928 22.942 2.021 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 928 25.316 2.838 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.794 3.754 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 928 24.387 3.188 0.593 1.00 0.00 H new ATOM 480 N LYS A 929 20.164 3.556 2.087 1.00 0.00 N ATOM 481 CA LYS A 929 18.793 3.801 2.522 1.00 0.00 C ATOM 482 C LYS A 929 17.845 3.914 1.331 1.00 0.00 C ATOM 483 O LYS A 929 18.159 4.564 0.333 1.00 0.00 O ATOM 484 CB LYS A 929 18.728 5.079 3.359 1.00 0.00 C ATOM 485 CG LYS A 929 17.342 5.380 3.909 1.00 0.00 C ATOM 486 CD LYS A 929 17.318 6.687 4.686 1.00 0.00 C ATOM 487 CE LYS A 929 18.248 6.643 5.888 1.00 0.00 C ATOM 488 NZ LYS A 929 18.245 7.929 6.640 1.00 0.00 N ATOM 0 H LYS A 929 20.734 4.397 1.999 1.00 0.00 H new ATOM 0 HA LYS A 929 18.477 2.953 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.428 4.995 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.057 5.920 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 929 16.628 5.432 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 929 17.023 4.565 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 929 17.610 7.506 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 929 16.301 6.893 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 929 17.945 5.833 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 929 19.262 6.420 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 18.891 7.858 7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 18.559 8.698 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 17.283 8.130 6.980 1.00 0.00 H new ATOM 502 N TYR A 930 16.679 3.283 1.449 1.00 0.00 N ATOM 503 CA TYR A 930 15.679 3.320 0.387 1.00 0.00 C ATOM 504 C TYR A 930 14.321 3.734 0.937 1.00 0.00 C ATOM 505 O TYR A 930 13.855 3.191 1.939 1.00 0.00 O ATOM 506 CB TYR A 930 15.550 1.956 -0.298 1.00 0.00 C ATOM 507 CG TYR A 930 16.789 1.512 -1.041 1.00 0.00 C ATOM 508 CD1 TYR A 930 17.962 1.212 -0.362 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.781 1.384 -2.423 1.00 0.00 C ATOM 510 CE1 TYR A 930 19.091 0.799 -1.039 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.906 0.971 -3.109 1.00 0.00 C ATOM 512 CZ TYR A 930 19.059 0.681 -2.411 1.00 0.00 C ATOM 513 OH TYR A 930 20.182 0.270 -3.087 1.00 0.00 O ATOM 0 H TYR A 930 16.405 2.741 2.268 1.00 0.00 H new ATOM 0 HA TYR A 930 16.011 4.055 -0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.304 1.207 0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.715 1.992 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 930 17.991 1.303 0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.879 1.611 -2.972 1.00 0.00 H new ATOM 0 HE1 TYR A 930 19.996 0.569 -0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.883 0.876 -4.185 1.00 0.00 H new ATOM 0 HH TYR A 930 20.922 0.883 -2.894 1.00 0.00 H new ATOM 523 N GLU A 931 13.686 4.692 0.273 1.00 0.00 N ATOM 524 CA GLU A 931 12.377 5.170 0.695 1.00 0.00 C ATOM 525 C GLU A 931 11.276 4.550 -0.157 1.00 0.00 C ATOM 526 O GLU A 931 11.277 4.683 -1.381 1.00 0.00 O ATOM 527 CB GLU A 931 12.313 6.696 0.603 1.00 0.00 C ATOM 528 CG GLU A 931 13.383 7.406 1.420 1.00 0.00 C ATOM 529 CD GLU A 931 13.253 7.150 2.911 1.00 0.00 C ATOM 530 OE1 GLU A 931 13.364 5.978 3.327 1.00 0.00 O ATOM 531 OE2 GLU A 931 13.043 8.126 3.661 1.00 0.00 O ATOM 0 H GLU A 931 14.056 5.152 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 931 12.223 4.871 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 931 12.410 6.992 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 931 11.331 7.030 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 931 14.367 7.078 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 931 13.324 8.478 1.234 1.00 0.00 H new ATOM 538 N CYS A 932 10.334 3.878 0.497 1.00 0.00 N ATOM 539 CA CYS A 932 9.222 3.243 -0.201 1.00 0.00 C ATOM 540 C CYS A 932 8.445 4.265 -1.026 1.00 0.00 C ATOM 541 O CYS A 932 8.579 5.471 -0.823 1.00 0.00 O ATOM 542 CB CYS A 932 8.289 2.550 0.793 1.00 0.00 C ATOM 543 SG CYS A 932 9.062 1.169 1.700 1.00 0.00 S ATOM 0 H CYS A 932 10.319 3.759 1.510 1.00 0.00 H new ATOM 0 HA CYS A 932 9.632 2.493 -0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 932 7.929 3.286 1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.417 2.176 0.256 1.00 0.00 H new ATOM 548 N ARG A 933 7.636 3.773 -1.958 1.00 0.00 N ATOM 549 CA ARG A 933 6.843 4.647 -2.816 1.00 0.00 C ATOM 550 C ARG A 933 5.568 5.093 -2.100 1.00 0.00 C ATOM 551 O ARG A 933 5.056 4.383 -1.235 1.00 0.00 O ATOM 552 CB ARG A 933 6.486 3.930 -4.119 1.00 0.00 C ATOM 553 CG ARG A 933 7.692 3.379 -4.862 1.00 0.00 C ATOM 554 CD ARG A 933 7.292 2.753 -6.188 1.00 0.00 C ATOM 555 NE ARG A 933 6.722 3.736 -7.105 1.00 0.00 N ATOM 556 CZ ARG A 933 6.303 3.447 -8.333 1.00 0.00 C ATOM 557 NH1 ARG A 933 6.383 2.203 -8.789 1.00 0.00 N ATOM 558 NH2 ARG A 933 5.801 4.399 -9.106 1.00 0.00 N ATOM 0 H ARG A 933 7.512 2.777 -2.139 1.00 0.00 H new ATOM 0 HA ARG A 933 7.439 5.530 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 933 5.801 3.111 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 933 5.954 4.623 -4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 933 8.409 4.181 -5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 933 8.193 2.634 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 933 8.165 2.290 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 933 6.567 1.959 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 933 6.641 4.701 -6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 933 6.767 1.466 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 933 6.061 1.984 -9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 933 5.735 5.356 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 933 5.480 4.175 -10.048 1.00 0.00 H new ATOM 572 N PRO A 934 5.043 6.285 -2.446 1.00 0.00 N ATOM 573 CA PRO A 934 3.830 6.831 -1.831 1.00 0.00 C ATOM 574 C PRO A 934 2.684 5.827 -1.804 1.00 0.00 C ATOM 575 O PRO A 934 1.998 5.686 -0.792 1.00 0.00 O ATOM 576 CB PRO A 934 3.466 8.031 -2.717 1.00 0.00 C ATOM 577 CG PRO A 934 4.368 7.948 -3.907 1.00 0.00 C ATOM 578 CD PRO A 934 5.587 7.198 -3.458 1.00 0.00 C ATOM 0 HA PRO A 934 4.002 7.097 -0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.419 7.992 -3.017 1.00 0.00 H new ATOM 0 HB3 PRO A 934 3.610 8.970 -2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 934 3.877 7.433 -4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 934 4.633 8.943 -4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 934 6.057 6.659 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.342 7.864 -3.040 1.00 0.00 H new ATOM 586 N GLU A 935 2.480 5.129 -2.915 1.00 0.00 N ATOM 587 CA GLU A 935 1.413 4.136 -3.007 1.00 0.00 C ATOM 588 C GLU A 935 1.756 2.879 -2.208 1.00 0.00 C ATOM 589 O GLU A 935 1.202 1.808 -2.454 1.00 0.00 O ATOM 590 CB GLU A 935 1.155 3.770 -4.470 1.00 0.00 C ATOM 591 CG GLU A 935 0.744 4.955 -5.330 1.00 0.00 C ATOM 592 CD GLU A 935 0.497 4.568 -6.774 1.00 0.00 C ATOM 593 OE1 GLU A 935 1.438 4.065 -7.424 1.00 0.00 O ATOM 594 OE2 GLU A 935 -0.639 4.766 -7.257 1.00 0.00 O ATOM 0 H GLU A 935 3.037 5.231 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 935 0.510 4.574 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 935 2.057 3.323 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.374 3.011 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 935 -0.160 5.402 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 935 1.523 5.716 -5.290 1.00 0.00 H new ATOM 601 N TYR A 936 2.675 3.014 -1.252 1.00 0.00 N ATOM 602 CA TYR A 936 3.093 1.890 -0.419 1.00 0.00 C ATOM 603 C TYR A 936 3.356 2.341 1.012 1.00 0.00 C ATOM 604 O TYR A 936 4.009 3.359 1.239 1.00 0.00 O ATOM 605 CB TYR A 936 4.360 1.237 -0.982 1.00 0.00 C ATOM 606 CG TYR A 936 4.184 0.627 -2.352 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.108 1.421 -3.488 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.103 -0.748 -2.509 1.00 0.00 C ATOM 609 CE1 TYR A 936 3.951 0.862 -4.740 1.00 0.00 C ATOM 610 CE2 TYR A 936 3.946 -1.317 -3.755 1.00 0.00 C ATOM 611 CZ TYR A 936 3.870 -0.508 -4.869 1.00 0.00 C ATOM 612 OH TYR A 936 3.714 -1.071 -6.115 1.00 0.00 O ATOM 0 H TYR A 936 3.144 3.893 -1.036 1.00 0.00 H new ATOM 0 HA TYR A 936 2.282 1.162 -0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.151 1.985 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 936 4.694 0.462 -0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.173 2.495 -3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.164 -1.385 -1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 936 3.892 1.494 -5.614 1.00 0.00 H new ATOM 0 HE2 TYR A 936 3.883 -2.390 -3.858 1.00 0.00 H new ATOM 0 HH TYR A 936 3.676 -2.047 -6.031 1.00 0.00 H new ATOM 622 N TYR A 937 2.856 1.573 1.977 1.00 0.00 N ATOM 623 CA TYR A 937 3.061 1.904 3.384 1.00 0.00 C ATOM 624 C TYR A 937 4.250 1.133 3.950 1.00 0.00 C ATOM 625 O TYR A 937 4.409 -0.060 3.691 1.00 0.00 O ATOM 626 CB TYR A 937 1.786 1.647 4.211 1.00 0.00 C ATOM 627 CG TYR A 937 1.365 0.193 4.330 1.00 0.00 C ATOM 628 CD1 TYR A 937 2.055 -0.693 5.148 1.00 0.00 C ATOM 629 CD2 TYR A 937 0.264 -0.287 3.633 1.00 0.00 C ATOM 630 CE1 TYR A 937 1.661 -2.013 5.264 1.00 0.00 C ATOM 631 CE2 TYR A 937 -0.135 -1.605 3.742 1.00 0.00 C ATOM 632 CZ TYR A 937 0.567 -2.463 4.559 1.00 0.00 C ATOM 633 OH TYR A 937 0.172 -3.776 4.673 1.00 0.00 O ATOM 0 H TYR A 937 2.312 0.726 1.813 1.00 0.00 H new ATOM 0 HA TYR A 937 3.284 2.969 3.451 1.00 0.00 H new ATOM 0 HB2 TYR A 937 1.938 2.046 5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 937 0.965 2.209 3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 937 2.914 -0.345 5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 937 -0.291 0.383 2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.209 -2.688 5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.992 -1.960 3.190 1.00 0.00 H new ATOM 0 HH TYR A 937 -0.617 -3.930 4.112 1.00 0.00 H new ATOM 643 N GLY A 938 5.094 1.825 4.710 1.00 0.00 N ATOM 644 CA GLY A 938 6.263 1.185 5.287 1.00 0.00 C ATOM 645 C GLY A 938 7.280 2.176 5.804 1.00 0.00 C ATOM 646 O GLY A 938 7.521 3.214 5.188 1.00 0.00 O ATOM 0 H GLY A 938 4.990 2.814 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 938 5.949 0.535 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 938 6.732 0.550 4.535 1.00 0.00 H new ATOM 650 N ARG A 939 7.882 1.846 6.937 1.00 0.00 N ATOM 651 CA ARG A 939 8.887 2.698 7.549 1.00 0.00 C ATOM 652 C ARG A 939 10.189 2.647 6.752 1.00 0.00 C ATOM 653 O ARG A 939 10.448 1.689 6.024 1.00 0.00 O ATOM 654 CB ARG A 939 9.148 2.268 8.994 1.00 0.00 C ATOM 655 CG ARG A 939 9.981 1.003 9.116 1.00 0.00 C ATOM 656 CD ARG A 939 9.314 -0.175 8.434 1.00 0.00 C ATOM 657 NE ARG A 939 8.069 -0.558 9.094 1.00 0.00 N ATOM 658 CZ ARG A 939 7.315 -1.584 8.711 1.00 0.00 C ATOM 659 NH1 ARG A 939 7.678 -2.330 7.676 1.00 0.00 N ATOM 660 NH2 ARG A 939 6.197 -1.867 9.366 1.00 0.00 N ATOM 0 H ARG A 939 7.689 0.988 7.453 1.00 0.00 H new ATOM 0 HA ARG A 939 8.511 3.721 7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 939 9.655 3.078 9.518 1.00 0.00 H new ATOM 0 HB3 ARG A 939 8.193 2.113 9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 939 10.964 1.170 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 939 10.140 0.772 10.169 1.00 0.00 H new ATOM 0 HD2 ARG A 939 9.110 0.077 7.393 1.00 0.00 H new ATOM 0 HD3 ARG A 939 9.997 -1.024 8.428 1.00 0.00 H new ATOM 0 HE ARG A 939 7.760 -0.007 9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 939 8.538 -2.117 7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 939 7.097 -3.116 7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 939 5.915 -1.297 10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 939 5.619 -2.654 9.072 1.00 0.00 H new ATOM 674 N PRO A 940 11.026 3.686 6.884 1.00 0.00 N ATOM 675 CA PRO A 940 12.308 3.771 6.182 1.00 0.00 C ATOM 676 C PRO A 940 13.243 2.626 6.555 1.00 0.00 C ATOM 677 O PRO A 940 13.216 2.135 7.683 1.00 0.00 O ATOM 678 CB PRO A 940 12.892 5.115 6.629 1.00 0.00 C ATOM 679 CG PRO A 940 12.138 5.485 7.859 1.00 0.00 C ATOM 680 CD PRO A 940 10.781 4.854 7.736 1.00 0.00 C ATOM 0 HA PRO A 940 12.182 3.699 5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 940 13.959 5.031 6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 940 12.774 5.872 5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 940 12.652 5.127 8.751 1.00 0.00 H new ATOM 0 HG3 PRO A 940 12.055 6.568 7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 940 10.382 4.565 8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 940 10.060 5.536 7.285 1.00 0.00 H new ATOM 688 N PHE A 941 14.063 2.197 5.599 1.00 0.00 N ATOM 689 CA PHE A 941 14.995 1.101 5.833 1.00 0.00 C ATOM 690 C PHE A 941 16.305 1.322 5.083 1.00 0.00 C ATOM 691 O PHE A 941 16.539 2.392 4.519 1.00 0.00 O ATOM 692 CB PHE A 941 14.358 -0.221 5.398 1.00 0.00 C ATOM 693 CG PHE A 941 14.071 -0.292 3.924 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.035 -0.746 3.036 1.00 0.00 C ATOM 695 CD2 PHE A 941 12.836 0.090 3.426 1.00 0.00 C ATOM 696 CE1 PHE A 941 14.772 -0.817 1.682 1.00 0.00 C ATOM 697 CE2 PHE A 941 12.568 0.022 2.072 1.00 0.00 C ATOM 698 CZ PHE A 941 13.537 -0.431 1.199 1.00 0.00 C ATOM 0 H PHE A 941 14.100 2.591 4.659 1.00 0.00 H new ATOM 0 HA PHE A 941 15.219 1.063 6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.021 -1.042 5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.428 -0.366 5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 941 16.003 -1.048 3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 941 12.074 0.445 4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 941 15.531 -1.174 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 941 11.601 0.323 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 941 13.330 -0.483 0.140 1.00 0.00 H new ATOM 708 N SER A 942 17.156 0.299 5.081 1.00 0.00 N ATOM 709 CA SER A 942 18.445 0.373 4.404 1.00 0.00 C ATOM 710 C SER A 942 19.142 -0.983 4.408 1.00 0.00 C ATOM 711 O SER A 942 19.070 -1.729 5.386 1.00 0.00 O ATOM 712 CB SER A 942 19.338 1.413 5.079 1.00 0.00 C ATOM 713 OG SER A 942 20.590 1.516 4.429 1.00 0.00 O ATOM 0 H SER A 942 16.974 -0.592 5.542 1.00 0.00 H new ATOM 0 HA SER A 942 18.266 0.668 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 942 18.841 2.383 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 942 19.490 1.142 6.124 1.00 0.00 H new ATOM 0 HG SER A 942 21.184 0.804 4.748 1.00 0.00 H new ATOM 719 N ILE A 943 19.811 -1.294 3.307 1.00 0.00 N ATOM 720 CA ILE A 943 20.524 -2.562 3.172 1.00 0.00 C ATOM 721 C ILE A 943 22.021 -2.400 3.413 1.00 0.00 C ATOM 722 O ILE A 943 22.711 -1.705 2.670 1.00 0.00 O ATOM 723 CB ILE A 943 20.306 -3.189 1.781 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.496 -2.134 0.687 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.927 -3.822 1.693 1.00 0.00 C ATOM 726 CD1 ILE A 943 20.344 -2.677 -0.717 1.00 0.00 C ATOM 0 H ILE A 943 19.877 -0.686 2.491 1.00 0.00 H new ATOM 0 HA ILE A 943 20.113 -3.225 3.933 1.00 0.00 H new ATOM 0 HB ILE A 943 21.047 -3.974 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.772 -1.333 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.487 -1.691 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.790 -4.260 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.835 -4.600 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 943 18.166 -3.060 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 943 20.492 -1.872 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 943 21.086 -3.457 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 943 19.344 -3.094 -0.840 1.00 0.00 H new ATOM 738 N THR A 944 22.517 -3.060 4.454 1.00 0.00 N ATOM 739 CA THR A 944 23.934 -3.011 4.797 1.00 0.00 C ATOM 740 C THR A 944 24.747 -3.980 3.943 1.00 0.00 C ATOM 741 O THR A 944 24.391 -5.149 3.823 1.00 0.00 O ATOM 742 CB THR A 944 24.156 -3.348 6.285 1.00 0.00 C ATOM 743 OG1 THR A 944 23.601 -2.318 7.111 1.00 0.00 O ATOM 744 CG2 THR A 944 25.638 -3.514 6.592 1.00 0.00 C ATOM 0 H THR A 944 21.955 -3.639 5.078 1.00 0.00 H new ATOM 0 HA THR A 944 24.272 -1.993 4.601 1.00 0.00 H new ATOM 0 HB THR A 944 23.653 -4.291 6.498 1.00 0.00 H new ATOM 0 HG1 THR A 944 23.745 -2.542 8.054 1.00 0.00 H new ATOM 0 HG21 THR A 944 25.766 -3.751 7.648 1.00 0.00 H new ATOM 0 HG22 THR A 944 26.047 -4.323 5.986 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.163 -2.587 6.362 1.00 0.00 H new ATOM 752 N CYS A 945 25.851 -3.501 3.374 1.00 0.00 N ATOM 753 CA CYS A 945 26.721 -4.351 2.563 1.00 0.00 C ATOM 754 C CYS A 945 27.504 -5.291 3.458 1.00 0.00 C ATOM 755 O CYS A 945 28.191 -4.861 4.385 1.00 0.00 O ATOM 756 CB CYS A 945 27.669 -3.498 1.714 1.00 0.00 C ATOM 757 SG CYS A 945 29.159 -4.372 1.128 1.00 0.00 S ATOM 0 H CYS A 945 26.164 -2.534 3.458 1.00 0.00 H new ATOM 0 HA CYS A 945 26.104 -4.943 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 945 27.122 -3.121 0.850 1.00 0.00 H new ATOM 0 HB3 CYS A 945 27.978 -2.631 2.298 1.00 0.00 H new ATOM 762 N LEU A 946 27.361 -6.579 3.197 1.00 0.00 N ATOM 763 CA LEU A 946 28.021 -7.590 4.004 1.00 0.00 C ATOM 764 C LEU A 946 29.423 -7.920 3.536 1.00 0.00 C ATOM 765 O LEU A 946 29.863 -7.536 2.452 1.00 0.00 O ATOM 766 CB LEU A 946 27.187 -8.862 4.065 1.00 0.00 C ATOM 767 CG LEU A 946 25.780 -8.668 4.605 1.00 0.00 C ATOM 768 CD1 LEU A 946 25.812 -7.930 5.934 1.00 0.00 C ATOM 769 CD2 LEU A 946 24.951 -7.933 3.591 1.00 0.00 C ATOM 0 H LEU A 946 26.795 -6.949 2.434 1.00 0.00 H new ATOM 0 HA LEU A 946 28.114 -7.158 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 946 27.123 -9.288 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 946 27.704 -9.591 4.688 1.00 0.00 H new ATOM 0 HG LEU A 946 25.326 -9.642 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 946 24.795 -7.801 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 946 26.390 -8.506 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 946 26.274 -6.953 5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 946 23.942 -7.794 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 946 25.400 -6.960 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 946 24.909 -8.511 2.668 1.00 0.00 H new ATOM 781 N ASP A 947 30.096 -8.659 4.396 1.00 0.00 N ATOM 782 CA ASP A 947 31.452 -9.120 4.180 1.00 0.00 C ATOM 783 C ASP A 947 31.608 -9.832 2.840 1.00 0.00 C ATOM 784 O ASP A 947 32.618 -9.671 2.155 1.00 0.00 O ATOM 785 CB ASP A 947 31.807 -10.068 5.314 1.00 0.00 C ATOM 786 CG ASP A 947 33.248 -10.533 5.264 1.00 0.00 C ATOM 787 OD1 ASP A 947 34.152 -9.674 5.330 1.00 0.00 O ATOM 788 OD2 ASP A 947 33.474 -11.757 5.159 1.00 0.00 O ATOM 0 H ASP A 947 29.704 -8.963 5.287 1.00 0.00 H new ATOM 0 HA ASP A 947 32.121 -8.260 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 947 31.624 -9.572 6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 947 31.149 -10.936 5.275 1.00 0.00 H new ATOM 793 N ASN A 948 30.612 -10.640 2.484 1.00 0.00 N ATOM 794 CA ASN A 948 30.654 -11.398 1.239 1.00 0.00 C ATOM 795 C ASN A 948 30.189 -10.546 0.062 1.00 0.00 C ATOM 796 O ASN A 948 29.605 -11.053 -0.895 1.00 0.00 O ATOM 797 CB ASN A 948 29.784 -12.653 1.361 1.00 0.00 C ATOM 798 CG ASN A 948 29.878 -13.552 0.144 1.00 0.00 C ATOM 799 OD1 ASN A 948 30.956 -14.035 -0.203 1.00 0.00 O ATOM 800 ND2 ASN A 948 28.746 -13.784 -0.510 1.00 0.00 N ATOM 0 H ASN A 948 29.769 -10.786 3.039 1.00 0.00 H new ATOM 0 HA ASN A 948 31.686 -11.695 1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 948 30.085 -13.214 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 948 28.746 -12.357 1.509 1.00 0.00 H new ATOM 0 HD21 ASN A 948 28.747 -14.383 -1.335 1.00 0.00 H new ATOM 0 HD22 ASN A 948 27.875 -13.363 -0.187 1.00 0.00 H new ATOM 807 N LEU A 949 30.474 -9.249 0.135 1.00 0.00 N ATOM 808 CA LEU A 949 30.108 -8.322 -0.928 1.00 0.00 C ATOM 809 C LEU A 949 28.668 -8.536 -1.375 1.00 0.00 C ATOM 810 O LEU A 949 28.404 -8.815 -2.545 1.00 0.00 O ATOM 811 CB LEU A 949 31.053 -8.487 -2.115 1.00 0.00 C ATOM 812 CG LEU A 949 32.539 -8.400 -1.765 1.00 0.00 C ATOM 813 CD1 LEU A 949 33.393 -8.588 -3.010 1.00 0.00 C ATOM 814 CD2 LEU A 949 32.853 -7.072 -1.097 1.00 0.00 C ATOM 0 H LEU A 949 30.958 -8.817 0.922 1.00 0.00 H new ATOM 0 HA LEU A 949 30.194 -7.308 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 949 30.860 -9.452 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 949 30.822 -7.721 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 949 32.774 -9.201 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 949 34.447 -8.523 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 949 33.190 -9.566 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 949 33.155 -7.810 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 949 33.915 -7.028 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 949 32.601 -6.256 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 949 32.268 -6.978 -0.182 1.00 0.00 H new ATOM 826 N VAL A 950 27.740 -8.416 -0.435 1.00 0.00 N ATOM 827 CA VAL A 950 26.329 -8.610 -0.734 1.00 0.00 C ATOM 828 C VAL A 950 25.466 -7.534 -0.095 1.00 0.00 C ATOM 829 O VAL A 950 25.947 -6.463 0.277 1.00 0.00 O ATOM 830 CB VAL A 950 25.849 -9.981 -0.231 1.00 0.00 C ATOM 831 CG1 VAL A 950 26.454 -11.097 -1.052 1.00 0.00 C ATOM 832 CG2 VAL A 950 26.196 -10.152 1.234 1.00 0.00 C ATOM 0 H VAL A 950 27.939 -8.186 0.539 1.00 0.00 H new ATOM 0 HA VAL A 950 26.227 -8.552 -1.818 1.00 0.00 H new ATOM 0 HB VAL A 950 24.766 -10.028 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 950 26.100 -12.057 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 950 26.158 -10.983 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 950 27.541 -11.056 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 950 25.851 -11.127 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 950 27.276 -10.083 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 950 25.711 -9.369 1.817 1.00 0.00 H new ATOM 842 N TRP A 951 24.186 -7.844 0.042 1.00 0.00 N ATOM 843 CA TRP A 951 23.232 -6.926 0.640 1.00 0.00 C ATOM 844 C TRP A 951 22.198 -7.695 1.439 1.00 0.00 C ATOM 845 O TRP A 951 21.506 -8.562 0.904 1.00 0.00 O ATOM 846 CB TRP A 951 22.516 -6.105 -0.440 1.00 0.00 C ATOM 847 CG TRP A 951 23.436 -5.242 -1.252 1.00 0.00 C ATOM 848 CD1 TRP A 951 24.021 -5.557 -2.448 1.00 0.00 C ATOM 849 CD2 TRP A 951 23.891 -3.930 -0.918 1.00 0.00 C ATOM 850 NE1 TRP A 951 24.803 -4.511 -2.880 1.00 0.00 N ATOM 851 CE2 TRP A 951 24.741 -3.501 -1.955 1.00 0.00 C ATOM 852 CE3 TRP A 951 23.657 -3.073 0.158 1.00 0.00 C ATOM 853 CZ2 TRP A 951 25.357 -2.253 -1.945 1.00 0.00 C ATOM 854 CZ3 TRP A 951 24.268 -1.836 0.168 1.00 0.00 C ATOM 855 CH2 TRP A 951 25.110 -1.435 -0.876 1.00 0.00 C ATOM 0 H TRP A 951 23.783 -8.732 -0.256 1.00 0.00 H new ATOM 0 HA TRP A 951 23.781 -6.252 1.297 1.00 0.00 H new ATOM 0 HB2 TRP A 951 21.986 -6.784 -1.108 1.00 0.00 H new ATOM 0 HB3 TRP A 951 21.765 -5.474 0.035 1.00 0.00 H new ATOM 0 HD1 TRP A 951 23.888 -6.490 -2.976 1.00 0.00 H new ATOM 0 HE1 TRP A 951 25.341 -4.490 -3.746 1.00 0.00 H new ATOM 0 HE3 TRP A 951 23.009 -3.373 0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 26.006 -1.942 -2.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 24.094 -1.165 0.996 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.574 -0.461 -0.837 1.00 0.00 H new ATOM 866 N SER A 952 22.102 -7.367 2.721 1.00 0.00 N ATOM 867 CA SER A 952 21.148 -8.019 3.604 1.00 0.00 C ATOM 868 C SER A 952 19.816 -8.185 2.891 1.00 0.00 C ATOM 869 O SER A 952 19.353 -7.274 2.205 1.00 0.00 O ATOM 870 CB SER A 952 20.960 -7.203 4.885 1.00 0.00 C ATOM 871 OG SER A 952 20.485 -5.900 4.596 1.00 0.00 O ATOM 0 H SER A 952 22.674 -6.653 3.171 1.00 0.00 H new ATOM 0 HA SER A 952 21.535 -9.002 3.874 1.00 0.00 H new ATOM 0 HB2 SER A 952 20.256 -7.712 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 952 21.907 -7.137 5.420 1.00 0.00 H new ATOM 0 HG SER A 952 20.372 -5.400 5.431 1.00 0.00 H new ATOM 877 N SER A 953 19.216 -9.355 3.034 1.00 0.00 N ATOM 878 CA SER A 953 17.950 -9.635 2.379 1.00 0.00 C ATOM 879 C SER A 953 16.797 -8.981 3.127 1.00 0.00 C ATOM 880 O SER A 953 16.474 -9.365 4.251 1.00 0.00 O ATOM 881 CB SER A 953 17.732 -11.141 2.295 1.00 0.00 C ATOM 882 OG SER A 953 16.458 -11.447 1.755 1.00 0.00 O ATOM 0 H SER A 953 19.584 -10.123 3.595 1.00 0.00 H new ATOM 0 HA SER A 953 17.983 -9.220 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 953 18.509 -11.589 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 953 17.823 -11.580 3.289 1.00 0.00 H new ATOM 0 HG SER A 953 16.346 -12.420 1.711 1.00 0.00 H new ATOM 888 N PRO A 954 16.159 -7.975 2.505 1.00 0.00 N ATOM 889 CA PRO A 954 15.035 -7.259 3.108 1.00 0.00 C ATOM 890 C PRO A 954 13.799 -8.139 3.225 1.00 0.00 C ATOM 891 O PRO A 954 13.902 -9.364 3.314 1.00 0.00 O ATOM 892 CB PRO A 954 14.780 -6.090 2.140 1.00 0.00 C ATOM 893 CG PRO A 954 15.975 -6.048 1.241 1.00 0.00 C ATOM 894 CD PRO A 954 16.480 -7.454 1.170 1.00 0.00 C ATOM 0 HA PRO A 954 15.256 -6.934 4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 954 13.865 -6.246 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 954 14.663 -5.151 2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.707 -5.678 0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 954 16.738 -5.378 1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 954 15.986 -8.023 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 954 17.550 -7.491 0.967 1.00 0.00 H new ATOM 902 N LYS A 955 12.635 -7.510 3.223 1.00 0.00 N ATOM 903 CA LYS A 955 11.372 -8.232 3.328 1.00 0.00 C ATOM 904 C LYS A 955 10.210 -7.400 2.823 1.00 0.00 C ATOM 905 O LYS A 955 10.345 -6.590 1.906 1.00 0.00 O ATOM 906 CB LYS A 955 11.105 -8.633 4.781 1.00 0.00 C ATOM 907 CG LYS A 955 11.623 -10.012 5.139 1.00 0.00 C ATOM 908 CD LYS A 955 11.476 -10.299 6.627 1.00 0.00 C ATOM 909 CE LYS A 955 12.295 -9.333 7.469 1.00 0.00 C ATOM 910 NZ LYS A 955 12.147 -9.602 8.926 1.00 0.00 N ATOM 0 H LYS A 955 12.536 -6.497 3.150 1.00 0.00 H new ATOM 0 HA LYS A 955 11.458 -9.124 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 955 11.566 -7.899 5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 955 10.031 -8.599 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 955 11.080 -10.765 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 955 12.672 -10.092 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 955 10.426 -10.228 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 955 11.793 -11.321 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 955 13.346 -9.410 7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 955 11.983 -8.311 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 12.721 -8.922 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 11.148 -9.503 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 12.469 -10.569 9.135 1.00 0.00 H new ATOM 924 N ASP A 956 9.069 -7.619 3.448 1.00 0.00 N ATOM 925 CA ASP A 956 7.848 -6.919 3.114 1.00 0.00 C ATOM 926 C ASP A 956 7.825 -5.545 3.775 1.00 0.00 C ATOM 927 O ASP A 956 6.929 -5.235 4.560 1.00 0.00 O ATOM 928 CB ASP A 956 6.655 -7.750 3.573 1.00 0.00 C ATOM 929 CG ASP A 956 6.527 -9.053 2.808 1.00 0.00 C ATOM 930 OD1 ASP A 956 6.374 -9.002 1.570 1.00 0.00 O ATOM 931 OD2 ASP A 956 6.581 -10.124 3.449 1.00 0.00 O ATOM 0 H ASP A 956 8.965 -8.293 4.207 1.00 0.00 H new ATOM 0 HA ASP A 956 7.796 -6.776 2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 956 6.754 -7.965 4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 956 5.742 -7.168 3.449 1.00 0.00 H new ATOM 936 N VAL A 957 8.827 -4.732 3.461 1.00 0.00 N ATOM 937 CA VAL A 957 8.937 -3.396 4.030 1.00 0.00 C ATOM 938 C VAL A 957 8.051 -2.400 3.288 1.00 0.00 C ATOM 939 O VAL A 957 7.280 -1.661 3.902 1.00 0.00 O ATOM 940 CB VAL A 957 10.400 -2.902 4.003 1.00 0.00 C ATOM 941 CG1 VAL A 957 11.273 -3.747 4.920 1.00 0.00 C ATOM 942 CG2 VAL A 957 10.947 -2.922 2.585 1.00 0.00 C ATOM 0 H VAL A 957 9.576 -4.976 2.814 1.00 0.00 H new ATOM 0 HA VAL A 957 8.600 -3.460 5.065 1.00 0.00 H new ATOM 0 HB VAL A 957 10.416 -1.874 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 957 12.299 -3.381 4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 957 10.899 -3.680 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 957 11.247 -4.786 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 957 11.979 -2.570 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 957 10.912 -3.939 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 957 10.344 -2.270 1.953 1.00 0.00 H new ATOM 952 N CYS A 958 8.166 -2.388 1.969 1.00 0.00 N ATOM 953 CA CYS A 958 7.378 -1.488 1.133 1.00 0.00 C ATOM 954 C CYS A 958 6.046 -2.119 0.736 1.00 0.00 C ATOM 955 O CYS A 958 5.697 -2.166 -0.442 1.00 0.00 O ATOM 956 CB CYS A 958 8.167 -1.092 -0.115 1.00 0.00 C ATOM 957 SG CYS A 958 9.656 -0.102 0.232 1.00 0.00 S ATOM 0 H CYS A 958 8.801 -2.994 1.449 1.00 0.00 H new ATOM 0 HA CYS A 958 7.165 -0.593 1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 958 8.461 -1.996 -0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 958 7.515 -0.527 -0.781 1.00 0.00 H new ATOM 962 N LYS A 959 5.306 -2.598 1.729 1.00 0.00 N ATOM 963 CA LYS A 959 4.008 -3.222 1.488 1.00 0.00 C ATOM 964 C LYS A 959 3.069 -2.257 0.765 1.00 0.00 C ATOM 965 O LYS A 959 3.034 -1.065 1.070 1.00 0.00 O ATOM 966 CB LYS A 959 3.400 -3.669 2.817 1.00 0.00 C ATOM 967 CG LYS A 959 4.164 -4.811 3.469 1.00 0.00 C ATOM 968 CD LYS A 959 3.871 -4.910 4.957 1.00 0.00 C ATOM 969 CE LYS A 959 4.477 -3.742 5.720 1.00 0.00 C ATOM 970 NZ LYS A 959 4.202 -3.828 7.181 1.00 0.00 N ATOM 0 H LYS A 959 5.582 -2.567 2.710 1.00 0.00 H new ATOM 0 HA LYS A 959 4.148 -4.094 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.373 -2.821 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 959 2.368 -3.978 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 959 3.898 -5.750 2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 959 5.234 -4.665 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 959 2.793 -4.931 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 959 4.269 -5.847 5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 959 5.554 -3.720 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 959 4.076 -2.807 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 4.286 -2.883 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 3.239 -4.191 7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 4.888 -4.470 7.626 1.00 0.00 H new ATOM 984 N ARG A 960 2.320 -2.779 -0.207 1.00 0.00 N ATOM 985 CA ARG A 960 1.393 -1.960 -0.986 1.00 0.00 C ATOM 986 C ARG A 960 0.415 -1.227 -0.071 1.00 0.00 C ATOM 987 O ARG A 960 -0.332 -1.852 0.681 1.00 0.00 O ATOM 988 CB ARG A 960 0.619 -2.838 -1.976 1.00 0.00 C ATOM 989 CG ARG A 960 0.215 -2.126 -3.260 1.00 0.00 C ATOM 990 CD ARG A 960 -0.753 -0.983 -3.002 1.00 0.00 C ATOM 991 NE ARG A 960 -1.215 -0.369 -4.245 1.00 0.00 N ATOM 992 CZ ARG A 960 -0.412 0.231 -5.119 1.00 0.00 C ATOM 993 NH1 ARG A 960 0.890 0.316 -4.884 1.00 0.00 N ATOM 994 NH2 ARG A 960 -0.914 0.754 -6.230 1.00 0.00 N ATOM 0 H ARG A 960 2.338 -3.764 -0.473 1.00 0.00 H new ATOM 0 HA ARG A 960 1.973 -1.220 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 960 1.230 -3.704 -2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 960 -0.278 -3.215 -1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 960 1.106 -1.740 -3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 960 -0.244 -2.842 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -1.610 -1.353 -2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 960 -0.267 -0.229 -2.383 1.00 0.00 H new ATOM 0 HE ARG A 960 -2.213 -0.403 -4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 960 1.281 -0.080 -4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 960 1.501 0.777 -5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 960 -1.916 0.696 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 960 -0.298 1.214 -6.900 1.00 0.00 H new ATOM 1008 N LYS A 961 0.427 0.101 -0.145 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.457 0.922 0.674 1.00 0.00 C ATOM 1010 C LYS A 961 -1.919 0.543 0.457 1.00 0.00 C ATOM 1011 O LYS A 961 -2.326 0.226 -0.659 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.238 2.407 0.382 1.00 0.00 C ATOM 1013 CG LYS A 961 -1.090 3.324 1.243 1.00 0.00 C ATOM 1014 CD LYS A 961 -0.620 4.766 1.162 1.00 0.00 C ATOM 1015 CE LYS A 961 0.726 4.954 1.843 1.00 0.00 C ATOM 1016 NZ LYS A 961 1.204 6.361 1.753 1.00 0.00 N ATOM 0 H LYS A 961 1.040 0.631 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.213 0.735 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.813 2.649 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -0.458 2.599 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -2.130 3.262 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -1.055 2.987 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 961 -0.545 5.067 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 961 -1.359 5.417 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 961 0.646 4.665 2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 961 1.460 4.292 1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 2.091 6.461 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 1.370 6.608 0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 0.485 6.998 2.152 1.00 0.00 H new ATOM 1030 N SER A 962 -2.701 0.570 1.533 1.00 0.00 N ATOM 1031 CA SER A 962 -4.116 0.220 1.462 1.00 0.00 C ATOM 1032 C SER A 962 -4.941 1.079 2.415 1.00 0.00 C ATOM 1033 O SER A 962 -4.506 1.381 3.527 1.00 0.00 O ATOM 1034 CB SER A 962 -4.312 -1.260 1.795 1.00 0.00 C ATOM 1035 OG SER A 962 -3.831 -1.560 3.093 1.00 0.00 O ATOM 0 H SER A 962 -2.378 0.831 2.465 1.00 0.00 H new ATOM 0 HA SER A 962 -4.459 0.408 0.445 1.00 0.00 H new ATOM 0 HB2 SER A 962 -5.370 -1.514 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 962 -3.790 -1.873 1.060 1.00 0.00 H new ATOM 0 HG SER A 962 -3.970 -2.512 3.281 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.131 1.476 1.969 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.012 2.309 2.781 1.00 0.00 C ATOM 1043 C CYS A 963 -7.795 1.469 3.786 1.00 0.00 C ATOM 1044 O CYS A 963 -8.854 1.881 4.261 1.00 0.00 O ATOM 1045 CB CYS A 963 -7.985 3.083 1.887 1.00 0.00 C ATOM 1046 SG CYS A 963 -7.191 4.090 0.593 1.00 0.00 S ATOM 0 H CYS A 963 -6.506 1.234 1.052 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.389 3.013 3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.663 2.374 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -8.593 3.735 2.514 1.00 0.00 H new ATOM 1051 N LYS A 964 -7.246 0.306 4.115 1.00 0.00 N ATOM 1052 CA LYS A 964 -7.855 -0.614 5.074 1.00 0.00 C ATOM 1053 C LYS A 964 -9.286 -0.977 4.669 1.00 0.00 C ATOM 1054 O LYS A 964 -10.063 -0.122 4.250 1.00 0.00 O ATOM 1055 CB LYS A 964 -7.806 0.013 6.466 1.00 0.00 C ATOM 1056 CG LYS A 964 -8.286 -0.894 7.589 1.00 0.00 C ATOM 1057 CD LYS A 964 -9.800 -0.925 7.690 1.00 0.00 C ATOM 1058 CE LYS A 964 -10.255 -1.848 8.806 1.00 0.00 C ATOM 1059 NZ LYS A 964 -11.736 -1.851 8.960 1.00 0.00 N ATOM 0 H LYS A 964 -6.365 -0.028 3.725 1.00 0.00 H new ATOM 0 HA LYS A 964 -7.290 -1.546 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -6.781 0.318 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -8.413 0.918 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -7.913 -1.905 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -7.867 -0.552 8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -10.176 0.082 7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -10.224 -1.258 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -9.910 -2.861 8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -9.794 -1.538 9.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -12.023 -2.664 9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -12.039 -0.970 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -12.182 -1.921 8.023 1.00 0.00 H new ATOM 1073 N THR A 965 -9.626 -2.260 4.778 1.00 0.00 N ATOM 1074 CA THR A 965 -10.958 -2.726 4.402 1.00 0.00 C ATOM 1075 C THR A 965 -12.046 -1.889 5.066 1.00 0.00 C ATOM 1076 O THR A 965 -12.159 -1.862 6.291 1.00 0.00 O ATOM 1077 CB THR A 965 -11.187 -4.197 4.792 1.00 0.00 C ATOM 1078 OG1 THR A 965 -10.028 -4.980 4.489 1.00 0.00 O ATOM 1079 CG2 THR A 965 -12.390 -4.767 4.052 1.00 0.00 C ATOM 0 H THR A 965 -9.002 -2.990 5.121 1.00 0.00 H new ATOM 0 HA THR A 965 -11.015 -2.625 3.318 1.00 0.00 H new ATOM 0 HB THR A 965 -11.377 -4.236 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 965 -10.188 -5.913 4.744 1.00 0.00 H new ATOM 0 HG21 THR A 965 -12.535 -5.808 4.341 1.00 0.00 H new ATOM 0 HG22 THR A 965 -13.280 -4.192 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 965 -12.217 -4.710 2.977 1.00 0.00 H new ATOM 1087 N PRO A 966 -12.878 -1.209 4.265 1.00 0.00 N ATOM 1088 CA PRO A 966 -13.977 -0.385 4.781 1.00 0.00 C ATOM 1089 C PRO A 966 -15.023 -1.228 5.502 1.00 0.00 C ATOM 1090 O PRO A 966 -15.332 -2.338 5.071 1.00 0.00 O ATOM 1091 CB PRO A 966 -14.578 0.235 3.518 1.00 0.00 C ATOM 1092 CG PRO A 966 -14.204 -0.713 2.434 1.00 0.00 C ATOM 1093 CD PRO A 966 -12.835 -1.202 2.793 1.00 0.00 C ATOM 0 HA PRO A 966 -13.635 0.349 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -15.660 0.339 3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -14.176 1.231 3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -14.913 -1.539 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -14.203 -0.219 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -12.639 -2.195 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -12.055 -0.542 2.412 1.00 0.00 H new ATOM 1101 N PRO A 967 -15.587 -0.718 6.609 1.00 0.00 N ATOM 1102 CA PRO A 967 -16.603 -1.445 7.370 1.00 0.00 C ATOM 1103 C PRO A 967 -17.780 -1.849 6.490 1.00 0.00 C ATOM 1104 O PRO A 967 -18.495 -0.998 5.962 1.00 0.00 O ATOM 1105 CB PRO A 967 -17.052 -0.443 8.445 1.00 0.00 C ATOM 1106 CG PRO A 967 -16.532 0.883 7.997 1.00 0.00 C ATOM 1107 CD PRO A 967 -15.293 0.596 7.200 1.00 0.00 C ATOM 0 HA PRO A 967 -16.214 -2.374 7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -18.138 -0.428 8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -16.652 -0.711 9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -17.272 1.408 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -16.307 1.522 8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -15.118 1.354 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -14.404 0.567 7.830 1.00 0.00 H new ATOM 1115 N ASP A 968 -17.971 -3.155 6.332 1.00 0.00 N ATOM 1116 CA ASP A 968 -19.056 -3.674 5.510 1.00 0.00 C ATOM 1117 C ASP A 968 -20.412 -3.265 6.077 1.00 0.00 C ATOM 1118 O ASP A 968 -20.643 -3.365 7.282 1.00 0.00 O ATOM 1119 CB ASP A 968 -18.966 -5.198 5.412 1.00 0.00 C ATOM 1120 CG ASP A 968 -17.673 -5.662 4.771 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -17.422 -5.290 3.606 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -16.912 -6.397 5.434 1.00 0.00 O ATOM 0 H ASP A 968 -17.388 -3.872 6.763 1.00 0.00 H new ATOM 0 HA ASP A 968 -18.958 -3.248 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -19.048 -5.629 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -19.810 -5.572 4.833 1.00 0.00 H new ATOM 1127 N PRO A 969 -21.331 -2.804 5.212 1.00 0.00 N ATOM 1128 CA PRO A 969 -22.670 -2.388 5.636 1.00 0.00 C ATOM 1129 C PRO A 969 -23.431 -3.523 6.304 1.00 0.00 C ATOM 1130 O PRO A 969 -23.384 -4.667 5.851 1.00 0.00 O ATOM 1131 CB PRO A 969 -23.360 -1.974 4.330 1.00 0.00 C ATOM 1132 CG PRO A 969 -22.555 -2.603 3.245 1.00 0.00 C ATOM 1133 CD PRO A 969 -21.146 -2.659 3.759 1.00 0.00 C ATOM 0 HA PRO A 969 -22.632 -1.587 6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -24.393 -2.320 4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -23.384 -0.889 4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -22.926 -3.601 3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -22.613 -2.019 2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -20.595 -3.499 3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -20.589 -1.755 3.511 1.00 0.00 H new ATOM 1141 N VAL A 970 -24.126 -3.198 7.388 1.00 0.00 N ATOM 1142 CA VAL A 970 -24.893 -4.176 8.125 1.00 0.00 C ATOM 1143 C VAL A 970 -25.807 -4.974 7.199 1.00 0.00 C ATOM 1144 O VAL A 970 -26.547 -4.403 6.401 1.00 0.00 O ATOM 1145 CB VAL A 970 -25.725 -3.488 9.212 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -26.532 -2.361 8.606 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -26.618 -4.484 9.912 1.00 0.00 C ATOM 0 H VAL A 970 -24.169 -2.254 7.773 1.00 0.00 H new ATOM 0 HA VAL A 970 -24.192 -4.868 8.592 1.00 0.00 H new ATOM 0 HB VAL A 970 -25.052 -3.067 9.959 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -27.121 -1.876 9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -25.858 -1.633 8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -27.199 -2.761 7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -27.200 -3.974 10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -27.293 -4.939 9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -26.006 -5.259 10.375 1.00 0.00 H new ATOM 1157 N ASN A 971 -25.740 -6.299 7.310 1.00 0.00 N ATOM 1158 CA ASN A 971 -26.552 -7.184 6.481 1.00 0.00 C ATOM 1159 C ASN A 971 -26.178 -7.045 5.006 1.00 0.00 C ATOM 1160 O ASN A 971 -27.048 -6.903 4.145 1.00 0.00 O ATOM 1161 CB ASN A 971 -28.042 -6.889 6.674 1.00 0.00 C ATOM 1162 CG ASN A 971 -28.487 -7.072 8.112 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -29.011 -6.008 8.709 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -28.362 -8.157 8.679 1.00 0.00 N flip ATOM 0 H ASN A 971 -25.130 -6.783 7.968 1.00 0.00 H new ATOM 0 HA ASN A 971 -26.354 -8.209 6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -28.251 -5.866 6.360 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -28.626 -7.546 6.030 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -27.954 -8.948 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -28.667 -8.265 9.646 1.00 0.00 H new ATOM 1171 N GLY A 972 -24.879 -7.092 4.719 1.00 0.00 N ATOM 1172 CA GLY A 972 -24.415 -6.973 3.347 1.00 0.00 C ATOM 1173 C GLY A 972 -22.934 -7.271 3.201 1.00 0.00 C ATOM 1174 O GLY A 972 -22.396 -8.124 3.907 1.00 0.00 O ATOM 0 H GLY A 972 -24.140 -7.210 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -24.983 -7.656 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -24.616 -5.964 2.986 1.00 0.00 H new ATOM 1178 N MET A 973 -22.277 -6.566 2.280 1.00 0.00 N ATOM 1179 CA MET A 973 -20.847 -6.759 2.036 1.00 0.00 C ATOM 1180 C MET A 973 -20.346 -5.806 0.953 1.00 0.00 C ATOM 1181 O MET A 973 -21.123 -5.332 0.117 1.00 0.00 O ATOM 1182 CB MET A 973 -20.555 -8.207 1.626 1.00 0.00 C ATOM 1183 CG MET A 973 -21.154 -8.607 0.286 1.00 0.00 C ATOM 1184 SD MET A 973 -22.957 -8.611 0.290 1.00 0.00 S ATOM 1185 CE MET A 973 -23.298 -9.110 -1.396 1.00 0.00 C ATOM 0 H MET A 973 -22.712 -5.856 1.691 1.00 0.00 H new ATOM 0 HA MET A 973 -20.321 -6.542 2.966 1.00 0.00 H new ATOM 0 HB2 MET A 973 -19.475 -8.351 1.587 1.00 0.00 H new ATOM 0 HB3 MET A 973 -20.938 -8.876 2.397 1.00 0.00 H new ATOM 0 HG2 MET A 973 -20.800 -7.920 -0.483 1.00 0.00 H new ATOM 0 HG3 MET A 973 -20.795 -9.600 0.016 1.00 0.00 H new ATOM 0 HE1 MET A 973 -24.364 -9.005 -1.598 1.00 0.00 H new ATOM 0 HE2 MET A 973 -22.735 -8.479 -2.083 1.00 0.00 H new ATOM 0 HE3 MET A 973 -23.003 -10.150 -1.534 1.00 0.00 H new ATOM 1195 N VAL A 974 -19.042 -5.530 0.968 1.00 0.00 N ATOM 1196 CA VAL A 974 -18.449 -4.636 -0.020 1.00 0.00 C ATOM 1197 C VAL A 974 -18.041 -5.400 -1.262 1.00 0.00 C ATOM 1198 O VAL A 974 -17.350 -6.418 -1.193 1.00 0.00 O ATOM 1199 CB VAL A 974 -17.229 -3.868 0.543 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -16.089 -4.817 0.890 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -16.758 -2.816 -0.448 1.00 0.00 C ATOM 0 H VAL A 974 -18.383 -5.910 1.648 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.215 -3.905 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 974 -17.543 -3.371 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -15.247 -4.246 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -16.426 -5.531 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -15.777 -5.354 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -15.900 -2.286 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.472 -3.299 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.565 -2.108 -0.638 1.00 0.00 H new ATOM 1211 N HIS A 975 -18.498 -4.902 -2.399 1.00 0.00 N ATOM 1212 CA HIS A 975 -18.212 -5.523 -3.674 1.00 0.00 C ATOM 1213 C HIS A 975 -16.777 -5.255 -4.112 1.00 0.00 C ATOM 1214 O HIS A 975 -16.539 -4.500 -5.059 1.00 0.00 O ATOM 1215 CB HIS A 975 -19.181 -5.020 -4.741 1.00 0.00 C ATOM 1216 CG HIS A 975 -19.256 -5.937 -5.915 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -19.975 -5.663 -7.059 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -18.694 -7.146 -6.101 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -19.849 -6.674 -7.902 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -19.074 -7.588 -7.345 1.00 0.00 N ATOM 0 H HIS A 975 -19.073 -4.062 -2.461 1.00 0.00 H new ATOM 0 HA HIS A 975 -18.338 -6.599 -3.553 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -20.174 -4.910 -4.304 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -18.869 -4.031 -5.075 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -18.061 -7.672 -5.401 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -20.303 -6.741 -8.880 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -18.803 -8.475 -7.769 1.00 0.00 H new ATOM 1229 N VAL A 976 -15.825 -5.880 -3.427 1.00 0.00 N ATOM 1230 CA VAL A 976 -14.419 -5.712 -3.765 1.00 0.00 C ATOM 1231 C VAL A 976 -14.174 -6.149 -5.203 1.00 0.00 C ATOM 1232 O VAL A 976 -14.476 -7.283 -5.577 1.00 0.00 O ATOM 1233 CB VAL A 976 -13.511 -6.524 -2.819 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -12.054 -6.406 -3.240 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -13.694 -6.066 -1.378 1.00 0.00 C ATOM 0 H VAL A 976 -16.001 -6.504 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 976 -14.173 -4.656 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 976 -13.800 -7.573 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -11.431 -6.986 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -11.936 -6.787 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -11.750 -5.360 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -13.045 -6.650 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -13.435 -5.010 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -14.733 -6.209 -1.080 1.00 0.00 H new ATOM 1245 N ILE A 977 -13.641 -5.242 -6.012 1.00 0.00 N ATOM 1246 CA ILE A 977 -13.376 -5.534 -7.414 1.00 0.00 C ATOM 1247 C ILE A 977 -12.103 -6.359 -7.577 1.00 0.00 C ATOM 1248 O ILE A 977 -12.053 -7.284 -8.388 1.00 0.00 O ATOM 1249 CB ILE A 977 -13.255 -4.243 -8.246 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -14.442 -3.314 -7.968 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -13.178 -4.579 -9.727 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -15.790 -3.923 -8.292 1.00 0.00 C ATOM 0 H ILE A 977 -13.384 -4.299 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 977 -14.224 -6.112 -7.781 1.00 0.00 H new ATOM 0 HB ILE A 977 -12.340 -3.726 -7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -14.428 -3.028 -6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -14.319 -2.400 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -13.093 -3.659 -10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -12.306 -5.206 -9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -14.080 -5.113 -10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -16.578 -3.204 -8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -15.827 -4.184 -9.350 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -15.937 -4.821 -7.692 1.00 0.00 H new ATOM 1264 N THR A 978 -11.078 -6.021 -6.801 1.00 0.00 N ATOM 1265 CA THR A 978 -9.806 -6.735 -6.860 1.00 0.00 C ATOM 1266 C THR A 978 -9.171 -6.826 -5.481 1.00 0.00 C ATOM 1267 O THR A 978 -8.769 -7.904 -5.042 1.00 0.00 O ATOM 1268 CB THR A 978 -8.809 -6.045 -7.811 1.00 0.00 C ATOM 1269 OG1 THR A 978 -8.502 -4.732 -7.331 1.00 0.00 O ATOM 1270 CG2 THR A 978 -9.373 -5.951 -9.217 1.00 0.00 C ATOM 0 H THR A 978 -11.103 -5.258 -6.124 1.00 0.00 H new ATOM 0 HA THR A 978 -10.026 -7.734 -7.236 1.00 0.00 H new ATOM 0 HB THR A 978 -7.900 -6.646 -7.841 1.00 0.00 H new ATOM 0 HG1 THR A 978 -7.867 -4.301 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 978 -8.649 -5.460 -9.867 1.00 0.00 H new ATOM 0 HG22 THR A 978 -9.579 -6.953 -9.594 1.00 0.00 H new ATOM 0 HG23 THR A 978 -10.297 -5.373 -9.201 1.00 0.00 H new ATOM 1278 N ASP A 979 -9.083 -5.687 -4.803 1.00 0.00 N ATOM 1279 CA ASP A 979 -8.493 -5.631 -3.473 1.00 0.00 C ATOM 1280 C ASP A 979 -9.051 -4.447 -2.686 1.00 0.00 C ATOM 1281 O ASP A 979 -10.232 -4.123 -2.796 1.00 0.00 O ATOM 1282 CB ASP A 979 -6.970 -5.522 -3.580 1.00 0.00 C ATOM 1283 CG ASP A 979 -6.337 -6.746 -4.213 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -6.482 -7.850 -3.646 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -5.698 -6.602 -5.276 1.00 0.00 O ATOM 0 H ASP A 979 -9.414 -4.789 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 979 -8.748 -6.548 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -6.714 -4.641 -4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -6.550 -5.375 -2.585 1.00 0.00 H new ATOM 1290 N ILE A 980 -8.198 -3.799 -1.897 1.00 0.00 N ATOM 1291 CA ILE A 980 -8.615 -2.650 -1.101 1.00 0.00 C ATOM 1292 C ILE A 980 -7.484 -1.637 -0.997 1.00 0.00 C ATOM 1293 O ILE A 980 -7.646 -0.560 -0.421 1.00 0.00 O ATOM 1294 CB ILE A 980 -9.052 -3.064 0.318 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -7.866 -3.637 1.101 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.193 -4.070 0.250 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -8.241 -4.168 2.466 1.00 0.00 C ATOM 0 H ILE A 980 -7.215 -4.050 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 980 -9.469 -2.202 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 980 -9.408 -2.178 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -7.412 -4.440 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -7.110 -2.861 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -10.490 -4.352 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -11.042 -3.623 -0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -9.865 -4.956 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -7.352 -4.557 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -8.667 -3.363 3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -8.975 -4.967 2.357 1.00 0.00 H new ATOM 1309 N GLN A 981 -6.336 -1.991 -1.563 1.00 0.00 N ATOM 1310 CA GLN A 981 -5.171 -1.120 -1.545 1.00 0.00 C ATOM 1311 C GLN A 981 -5.340 0.017 -2.548 1.00 0.00 C ATOM 1312 O GLN A 981 -6.225 -0.030 -3.403 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.903 -1.927 -1.838 1.00 0.00 C ATOM 1314 CG GLN A 981 -3.923 -2.654 -3.173 1.00 0.00 C ATOM 1315 CD GLN A 981 -2.793 -3.655 -3.317 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -2.067 -3.899 -2.231 1.00 0.00 O flip ATOM 1317 NE2 GLN A 981 -2.584 -4.218 -4.392 1.00 0.00 N flip ATOM 0 H GLN A 981 -6.189 -2.880 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 981 -5.075 -0.681 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.045 -1.255 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -3.758 -2.657 -1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -4.876 -3.171 -3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -3.860 -1.924 -3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -3.165 -4.002 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -1.830 -4.900 -4.472 1.00 0.00 H new ATOM 1326 N VAL A 982 -4.505 1.048 -2.426 1.00 0.00 N ATOM 1327 CA VAL A 982 -4.579 2.203 -3.306 1.00 0.00 C ATOM 1328 C VAL A 982 -4.668 1.782 -4.769 1.00 0.00 C ATOM 1329 O VAL A 982 -4.161 0.729 -5.158 1.00 0.00 O ATOM 1330 CB VAL A 982 -3.366 3.128 -3.112 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -3.156 3.436 -1.638 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -2.119 2.521 -3.727 1.00 0.00 C ATOM 0 H VAL A 982 -3.769 1.103 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 982 -5.486 2.747 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 982 -3.567 4.067 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -2.293 4.092 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -4.042 3.929 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -2.982 2.508 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -1.275 3.194 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -1.908 1.563 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -2.277 2.370 -4.795 1.00 0.00 H new ATOM 1342 N GLY A 983 -5.329 2.609 -5.570 1.00 0.00 N ATOM 1343 CA GLY A 983 -5.494 2.309 -6.978 1.00 0.00 C ATOM 1344 C GLY A 983 -6.689 1.413 -7.238 1.00 0.00 C ATOM 1345 O GLY A 983 -7.425 1.614 -8.205 1.00 0.00 O ATOM 0 H GLY A 983 -5.755 3.485 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -5.612 3.239 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -4.592 1.826 -7.353 1.00 0.00 H new ATOM 1349 N SER A 984 -6.883 0.420 -6.375 1.00 0.00 N ATOM 1350 CA SER A 984 -7.996 -0.510 -6.517 1.00 0.00 C ATOM 1351 C SER A 984 -9.306 0.112 -6.044 1.00 0.00 C ATOM 1352 O SER A 984 -9.382 0.676 -4.951 1.00 0.00 O ATOM 1353 CB SER A 984 -7.719 -1.790 -5.726 1.00 0.00 C ATOM 1354 OG SER A 984 -8.820 -2.679 -5.793 1.00 0.00 O ATOM 0 H SER A 984 -6.283 0.240 -5.570 1.00 0.00 H new ATOM 0 HA SER A 984 -8.094 -0.750 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 984 -6.828 -2.279 -6.120 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.512 -1.541 -4.685 1.00 0.00 H new ATOM 0 HG SER A 984 -8.727 -3.256 -6.580 1.00 0.00 H new ATOM 1360 N ARG A 985 -10.340 -0.008 -6.871 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.657 0.524 -6.539 1.00 0.00 C ATOM 1362 C ARG A 985 -12.565 -0.595 -6.038 1.00 0.00 C ATOM 1363 O ARG A 985 -12.411 -1.750 -6.435 1.00 0.00 O ATOM 1364 CB ARG A 985 -12.287 1.207 -7.755 1.00 0.00 C ATOM 1365 CG ARG A 985 -13.610 1.889 -7.445 1.00 0.00 C ATOM 1366 CD ARG A 985 -14.226 2.512 -8.687 1.00 0.00 C ATOM 1367 NE ARG A 985 -13.332 3.474 -9.322 1.00 0.00 N ATOM 1368 CZ ARG A 985 -13.646 4.160 -10.417 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -14.831 3.993 -10.990 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -12.777 5.015 -10.940 1.00 0.00 N ATOM 0 H ARG A 985 -10.291 -0.471 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.539 1.266 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -11.589 1.946 -8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -12.443 0.466 -8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -14.303 1.163 -7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -13.454 2.660 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -14.477 1.726 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -15.159 3.008 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 985 -12.415 3.629 -8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -15.503 3.338 -10.591 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -15.070 4.520 -11.830 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -11.865 5.147 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -13.020 5.540 -11.780 1.00 0.00 H new ATOM 1384 N ILE A 986 -13.505 -0.254 -5.163 1.00 0.00 N ATOM 1385 CA ILE A 986 -14.427 -1.241 -4.612 1.00 0.00 C ATOM 1386 C ILE A 986 -15.830 -0.670 -4.459 1.00 0.00 C ATOM 1387 O ILE A 986 -16.023 0.372 -3.836 1.00 0.00 O ATOM 1388 CB ILE A 986 -13.959 -1.744 -3.232 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -13.909 -0.580 -2.240 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -12.598 -2.416 -3.344 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -13.678 -1.004 -0.810 1.00 0.00 C ATOM 0 H ILE A 986 -13.649 0.696 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 986 -14.443 -2.071 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 986 -14.672 -2.482 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.115 0.105 -2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -14.846 -0.026 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -12.283 -2.765 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -12.666 -3.264 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -11.869 -1.701 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -13.655 -0.123 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -14.485 -1.664 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -12.727 -1.531 -0.736 1.00 0.00 H new ATOM 1403 N THR A 987 -16.814 -1.369 -5.004 1.00 0.00 N ATOM 1404 CA THR A 987 -18.197 -0.936 -4.894 1.00 0.00 C ATOM 1405 C THR A 987 -18.881 -1.702 -3.765 1.00 0.00 C ATOM 1406 O THR A 987 -18.208 -2.359 -2.976 1.00 0.00 O ATOM 1407 CB THR A 987 -18.951 -1.121 -6.230 1.00 0.00 C ATOM 1408 OG1 THR A 987 -20.363 -0.964 -6.050 1.00 0.00 O ATOM 1409 CG2 THR A 987 -18.651 -2.477 -6.837 1.00 0.00 C ATOM 0 H THR A 987 -16.681 -2.236 -5.525 1.00 0.00 H new ATOM 0 HA THR A 987 -18.215 0.129 -4.662 1.00 0.00 H new ATOM 0 HB THR A 987 -18.602 -0.348 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 987 -20.818 -1.084 -6.910 1.00 0.00 H new ATOM 0 HG21 THR A 987 -19.193 -2.583 -7.777 1.00 0.00 H new ATOM 0 HG22 THR A 987 -17.581 -2.563 -7.024 1.00 0.00 H new ATOM 0 HG23 THR A 987 -18.963 -3.261 -6.147 1.00 0.00 H new ATOM 1417 N TYR A 988 -20.200 -1.613 -3.672 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.930 -2.306 -2.614 1.00 0.00 C ATOM 1419 C TYR A 988 -22.190 -2.967 -3.157 1.00 0.00 C ATOM 1420 O TYR A 988 -22.745 -2.533 -4.165 1.00 0.00 O ATOM 1421 CB TYR A 988 -21.301 -1.338 -1.484 1.00 0.00 C ATOM 1422 CG TYR A 988 -20.113 -0.765 -0.742 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -19.259 0.149 -1.348 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -19.852 -1.130 0.573 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -18.178 0.677 -0.669 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -18.774 -0.605 1.261 1.00 0.00 C ATOM 1427 CZ TYR A 988 -17.940 0.298 0.635 1.00 0.00 C ATOM 1428 OH TYR A 988 -16.866 0.823 1.315 1.00 0.00 O ATOM 0 H TYR A 988 -20.785 -1.073 -4.310 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.274 -3.080 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.885 -0.517 -1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -21.943 -1.857 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -19.444 0.452 -2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -20.503 -1.837 1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -17.523 1.383 -1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -18.586 -0.900 2.283 1.00 0.00 H new ATOM 0 HH TYR A 988 -16.675 1.724 0.980 1.00 0.00 H new ATOM 1438 N SER A 989 -22.635 -4.022 -2.479 1.00 0.00 N ATOM 1439 CA SER A 989 -23.832 -4.742 -2.898 1.00 0.00 C ATOM 1440 C SER A 989 -24.563 -5.322 -1.693 1.00 0.00 C ATOM 1441 O SER A 989 -23.982 -6.050 -0.890 1.00 0.00 O ATOM 1442 CB SER A 989 -23.465 -5.861 -3.875 1.00 0.00 C ATOM 1443 OG SER A 989 -24.618 -6.564 -4.302 1.00 0.00 O ATOM 0 H SER A 989 -22.187 -4.395 -1.642 1.00 0.00 H new ATOM 0 HA SER A 989 -24.495 -4.037 -3.399 1.00 0.00 H new ATOM 0 HB2 SER A 989 -22.952 -5.439 -4.739 1.00 0.00 H new ATOM 0 HB3 SER A 989 -22.770 -6.552 -3.397 1.00 0.00 H new ATOM 0 HG SER A 989 -24.357 -7.272 -4.927 1.00 0.00 H new ATOM 1449 N CYS A 990 -25.842 -4.985 -1.575 1.00 0.00 N ATOM 1450 CA CYS A 990 -26.665 -5.459 -0.470 1.00 0.00 C ATOM 1451 C CYS A 990 -27.537 -6.636 -0.892 1.00 0.00 C ATOM 1452 O CYS A 990 -27.977 -6.716 -2.039 1.00 0.00 O ATOM 1453 CB CYS A 990 -27.545 -4.324 0.056 1.00 0.00 C ATOM 1454 SG CYS A 990 -26.610 -2.911 0.726 1.00 0.00 S ATOM 0 H CYS A 990 -26.333 -4.382 -2.235 1.00 0.00 H new ATOM 0 HA CYS A 990 -25.997 -5.797 0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -28.187 -3.972 -0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -28.199 -4.716 0.835 1.00 0.00 H new ATOM 1459 N THR A 991 -27.789 -7.542 0.047 1.00 0.00 N ATOM 1460 CA THR A 991 -28.617 -8.710 -0.221 1.00 0.00 C ATOM 1461 C THR A 991 -30.050 -8.290 -0.530 1.00 0.00 C ATOM 1462 O THR A 991 -30.539 -7.295 0.005 1.00 0.00 O ATOM 1463 CB THR A 991 -28.621 -9.684 0.972 1.00 0.00 C ATOM 1464 OG1 THR A 991 -29.453 -10.813 0.682 1.00 0.00 O ATOM 1465 CG2 THR A 991 -29.118 -8.994 2.235 1.00 0.00 C ATOM 0 H THR A 991 -27.431 -7.489 1.001 1.00 0.00 H new ATOM 0 HA THR A 991 -28.190 -9.219 -1.085 1.00 0.00 H new ATOM 0 HB THR A 991 -27.598 -10.020 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 991 -29.448 -11.428 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 991 -29.112 -9.703 3.063 1.00 0.00 H new ATOM 0 HG22 THR A 991 -28.465 -8.154 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 991 -30.133 -8.631 2.076 1.00 0.00 H new ATOM 1473 N THR A 992 -30.711 -9.044 -1.403 1.00 0.00 N ATOM 1474 CA THR A 992 -32.085 -8.741 -1.792 1.00 0.00 C ATOM 1475 C THR A 992 -32.946 -8.422 -0.574 1.00 0.00 C ATOM 1476 O THR A 992 -33.006 -9.198 0.380 1.00 0.00 O ATOM 1477 CB THR A 992 -32.720 -9.913 -2.563 1.00 0.00 C ATOM 1478 OG1 THR A 992 -31.951 -10.202 -3.737 1.00 0.00 O ATOM 1479 CG2 THR A 992 -34.154 -9.591 -2.960 1.00 0.00 C ATOM 0 H THR A 992 -30.318 -9.870 -1.855 1.00 0.00 H new ATOM 0 HA THR A 992 -32.044 -7.867 -2.442 1.00 0.00 H new ATOM 0 HB THR A 992 -32.728 -10.784 -1.908 1.00 0.00 H new ATOM 0 HG1 THR A 992 -32.361 -10.950 -4.221 1.00 0.00 H new ATOM 0 HG21 THR A 992 -34.579 -10.435 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 992 -34.745 -9.401 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 992 -34.165 -8.707 -3.597 1.00 0.00 H new ATOM 1487 N GLY A 993 -33.609 -7.269 -0.614 1.00 0.00 N ATOM 1488 CA GLY A 993 -34.457 -6.859 0.488 1.00 0.00 C ATOM 1489 C GLY A 993 -34.105 -5.477 1.007 1.00 0.00 C ATOM 1490 O GLY A 993 -34.985 -4.643 1.217 1.00 0.00 O ATOM 0 H GLY A 993 -33.573 -6.611 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -35.498 -6.868 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -34.369 -7.582 1.299 1.00 0.00 H new ATOM 1494 N HIS A 994 -32.813 -5.237 1.218 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.342 -3.954 1.719 1.00 0.00 C ATOM 1496 C HIS A 994 -31.753 -3.108 0.593 1.00 0.00 C ATOM 1497 O HIS A 994 -31.010 -3.608 -0.251 1.00 0.00 O ATOM 1498 CB HIS A 994 -31.283 -4.173 2.803 1.00 0.00 C ATOM 1499 CG HIS A 994 -31.748 -5.035 3.937 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -32.228 -6.316 3.760 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -31.793 -4.800 5.270 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -32.551 -6.830 4.935 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -32.295 -5.930 5.865 1.00 0.00 N ATOM 0 H HIS A 994 -32.073 -5.919 1.048 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.194 -3.422 2.142 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -30.402 -4.628 2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -30.975 -3.205 3.198 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -31.490 -3.893 5.771 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -32.955 -7.817 5.104 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -32.446 -6.054 6.866 1.00 0.00 H new ATOM 1512 N ARG A 995 -32.081 -1.821 0.599 1.00 0.00 N ATOM 1513 CA ARG A 995 -31.580 -0.893 -0.407 1.00 0.00 C ATOM 1514 C ARG A 995 -30.311 -0.212 0.091 1.00 0.00 C ATOM 1515 O ARG A 995 -30.160 0.031 1.287 1.00 0.00 O ATOM 1516 CB ARG A 995 -32.638 0.160 -0.738 1.00 0.00 C ATOM 1517 CG ARG A 995 -33.074 0.979 0.467 1.00 0.00 C ATOM 1518 CD ARG A 995 -34.098 2.046 0.101 1.00 0.00 C ATOM 1519 NE ARG A 995 -33.544 3.084 -0.771 1.00 0.00 N ATOM 1520 CZ ARG A 995 -33.410 2.959 -2.091 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -33.855 1.875 -2.712 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -32.850 3.935 -2.793 1.00 0.00 N ATOM 0 H ARG A 995 -32.695 -1.395 1.293 1.00 0.00 H new ATOM 0 HA ARG A 995 -31.351 -1.457 -1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -32.245 0.832 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -33.510 -0.334 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -33.498 0.315 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -32.202 1.454 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -34.946 1.575 -0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -34.478 2.507 1.013 1.00 0.00 H new ATOM 0 HE ARG A 995 -33.242 3.958 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -34.303 1.130 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -33.749 1.786 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -32.523 4.779 -2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -32.746 3.842 -3.803 1.00 0.00 H new ATOM 1536 N LEU A 996 -29.399 0.083 -0.827 1.00 0.00 N ATOM 1537 CA LEU A 996 -28.141 0.731 -0.474 1.00 0.00 C ATOM 1538 C LEU A 996 -28.367 2.195 -0.093 1.00 0.00 C ATOM 1539 O LEU A 996 -29.060 2.930 -0.799 1.00 0.00 O ATOM 1540 CB LEU A 996 -27.151 0.626 -1.640 1.00 0.00 C ATOM 1541 CG LEU A 996 -25.728 1.099 -1.344 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -24.750 0.510 -2.349 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -25.665 2.610 -1.360 1.00 0.00 C ATOM 0 H LEU A 996 -29.506 -0.116 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.722 0.220 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -27.109 -0.414 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -27.540 1.206 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 996 -25.445 0.752 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -23.742 0.858 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -24.780 -0.578 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -25.026 0.828 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -24.646 2.934 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -25.965 2.976 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -26.338 3.010 -0.602 1.00 0.00 H new ATOM 1555 N ILE A 997 -27.765 2.612 1.018 1.00 0.00 N ATOM 1556 CA ILE A 997 -27.883 3.989 1.489 1.00 0.00 C ATOM 1557 C ILE A 997 -26.558 4.731 1.338 1.00 0.00 C ATOM 1558 O ILE A 997 -25.506 4.218 1.716 1.00 0.00 O ATOM 1559 CB ILE A 997 -28.334 4.053 2.971 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -29.830 3.782 3.099 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -28.002 5.394 3.586 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -30.194 2.335 2.929 1.00 0.00 C ATOM 0 H ILE A 997 -27.189 2.014 1.610 1.00 0.00 H new ATOM 0 HA ILE A 997 -28.643 4.469 0.872 1.00 0.00 H new ATOM 0 HB ILE A 997 -27.789 3.279 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -30.170 4.121 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -30.363 4.372 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -28.330 5.409 4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -26.925 5.557 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -28.511 6.184 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -31.273 2.217 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.885 1.996 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -29.689 1.741 3.691 1.00 0.00 H new ATOM 1574 N GLY A 998 -26.616 5.943 0.795 1.00 0.00 N ATOM 1575 CA GLY A 998 -25.411 6.733 0.619 1.00 0.00 C ATOM 1576 C GLY A 998 -24.845 6.660 -0.788 1.00 0.00 C ATOM 1577 O GLY A 998 -25.557 6.890 -1.766 1.00 0.00 O ATOM 0 H GLY A 998 -27.474 6.391 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -25.628 7.773 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -24.655 6.392 1.326 1.00 0.00 H new ATOM 1581 N HIS A 999 -23.553 6.359 -0.884 1.00 0.00 N ATOM 1582 CA HIS A 999 -22.870 6.274 -2.173 1.00 0.00 C ATOM 1583 C HIS A 999 -23.161 4.947 -2.875 1.00 0.00 C ATOM 1584 O HIS A 999 -24.320 4.561 -3.024 1.00 0.00 O ATOM 1585 CB HIS A 999 -21.366 6.458 -1.971 1.00 0.00 C ATOM 1586 CG HIS A 999 -21.009 7.768 -1.343 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -20.436 8.052 -0.149 1.00 0.00 N flip ATOM 1588 CD2 HIS A 999 -21.245 8.984 -1.950 1.00 0.00 C flip ATOM 1589 CE1 HIS A 999 -20.340 9.419 -0.058 1.00 0.00 C flip ATOM 1590 NE2 HIS A 999 -20.834 9.957 -1.157 1.00 0.00 N flip ATOM 0 H HIS A 999 -22.955 6.169 -0.080 1.00 0.00 H new ATOM 0 HA HIS A 999 -23.247 7.070 -2.815 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -20.989 5.649 -1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -20.864 6.377 -2.935 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -21.696 9.119 -2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -19.927 9.965 0.777 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -20.889 10.955 -1.360 1.00 0.00 H new ATOM 1599 N SER A1000 -22.109 4.255 -3.319 1.00 0.00 N ATOM 1600 CA SER A1000 -22.267 2.981 -4.015 1.00 0.00 C ATOM 1601 C SER A1000 -20.917 2.306 -4.247 1.00 0.00 C ATOM 1602 O SER A1000 -20.822 1.079 -4.269 1.00 0.00 O ATOM 1603 CB SER A1000 -22.977 3.192 -5.355 1.00 0.00 C ATOM 1604 OG SER A1000 -22.239 4.066 -6.191 1.00 0.00 O ATOM 0 H SER A1000 -21.141 4.557 -3.208 1.00 0.00 H new ATOM 0 HA SER A1000 -22.872 2.330 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A1000 -23.110 2.232 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A1000 -23.972 3.603 -5.182 1.00 0.00 H new ATOM 0 HG SER A1000 -22.712 4.183 -7.041 1.00 0.00 H new ATOM 1610 N SER A1001 -19.877 3.115 -4.425 1.00 0.00 N ATOM 1611 CA SER A1001 -18.532 2.599 -4.662 1.00 0.00 C ATOM 1612 C SER A1001 -17.483 3.574 -4.134 1.00 0.00 C ATOM 1613 O SER A1001 -17.770 4.753 -3.928 1.00 0.00 O ATOM 1614 CB SER A1001 -18.312 2.344 -6.154 1.00 0.00 C ATOM 1615 OG SER A1001 -17.011 1.839 -6.401 1.00 0.00 O ATOM 0 H SER A1001 -19.940 4.133 -4.410 1.00 0.00 H new ATOM 0 HA SER A1001 -18.429 1.655 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A1001 -19.055 1.635 -6.518 1.00 0.00 H new ATOM 0 HB3 SER A1001 -18.457 3.271 -6.709 1.00 0.00 H new ATOM 0 HG SER A1001 -16.898 1.683 -7.362 1.00 0.00 H new ATOM 1621 N ALA A1002 -16.272 3.074 -3.903 1.00 0.00 N ATOM 1622 CA ALA A1002 -15.193 3.908 -3.381 1.00 0.00 C ATOM 1623 C ALA A1002 -13.819 3.364 -3.764 1.00 0.00 C ATOM 1624 O ALA A1002 -13.551 2.171 -3.632 1.00 0.00 O ATOM 1625 CB ALA A1002 -15.303 4.015 -1.868 1.00 0.00 C ATOM 0 H ALA A1002 -16.014 2.101 -4.068 1.00 0.00 H new ATOM 0 HA ALA A1002 -15.295 4.897 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.494 4.639 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -16.261 4.462 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -15.233 3.021 -1.427 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.952 4.257 -4.231 1.00 0.00 N ATOM 1632 CA GLU A1003 -11.598 3.886 -4.627 1.00 0.00 C ATOM 1633 C GLU A1003 -10.576 4.313 -3.583 1.00 0.00 C ATOM 1634 O GLU A1003 -10.640 5.422 -3.054 1.00 0.00 O ATOM 1635 CB GLU A1003 -11.227 4.518 -5.970 1.00 0.00 C ATOM 1636 CG GLU A1003 -11.594 5.987 -6.078 1.00 0.00 C ATOM 1637 CD GLU A1003 -13.075 6.214 -6.323 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -13.812 5.219 -6.481 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -13.494 7.390 -6.366 1.00 0.00 O ATOM 0 H GLU A1003 -13.165 5.248 -4.345 1.00 0.00 H new ATOM 0 HA GLU A1003 -11.582 2.800 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -10.154 4.409 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -11.725 3.969 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -11.301 6.497 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -11.024 6.439 -6.890 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.617 3.437 -3.315 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.561 3.740 -2.360 1.00 0.00 C ATOM 1648 C CYS A1004 -7.552 4.673 -3.009 1.00 0.00 C ATOM 1649 O CYS A1004 -7.033 4.377 -4.085 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.867 2.455 -1.897 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.489 2.719 -0.731 1.00 0.00 S ATOM 0 H CYS A1004 -9.549 2.514 -3.744 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.999 4.224 -1.487 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.606 1.807 -1.426 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.490 1.925 -2.772 1.00 0.00 H new ATOM 1656 N ILE A1005 -7.282 5.801 -2.370 1.00 0.00 N ATOM 1657 CA ILE A1005 -6.340 6.757 -2.926 1.00 0.00 C ATOM 1658 C ILE A1005 -5.320 7.211 -1.888 1.00 0.00 C ATOM 1659 O ILE A1005 -4.985 6.463 -0.970 1.00 0.00 O ATOM 1660 CB ILE A1005 -7.070 7.978 -3.520 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -7.890 8.695 -2.445 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -7.963 7.543 -4.675 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -8.626 9.914 -2.960 1.00 0.00 C ATOM 0 H ILE A1005 -7.696 6.074 -1.478 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.805 6.247 -3.727 1.00 0.00 H new ATOM 0 HB ILE A1005 -6.325 8.678 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -8.612 7.996 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.227 8.996 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -8.474 8.413 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -7.354 7.078 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -8.701 6.826 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -9.186 10.372 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -7.908 10.632 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -9.315 9.616 -3.751 1.00 0.00 H new ATOM 1675 N LEU A1006 -4.816 8.430 -2.047 1.00 0.00 N ATOM 1676 CA LEU A1006 -3.806 8.961 -1.136 1.00 0.00 C ATOM 1677 C LEU A1006 -3.952 10.471 -0.964 1.00 0.00 C ATOM 1678 O LEU A1006 -3.568 11.026 0.065 1.00 0.00 O ATOM 1679 CB LEU A1006 -2.411 8.638 -1.682 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.241 9.009 -0.769 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -1.190 8.082 0.434 1.00 0.00 C ATOM 1682 CD2 LEU A1006 0.072 8.945 -1.538 1.00 0.00 C ATOM 0 H LEU A1006 -5.088 9.068 -2.795 1.00 0.00 H new ATOM 0 HA LEU A1006 -3.944 8.495 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.361 7.569 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -2.284 9.155 -2.633 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.390 10.029 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -0.352 8.360 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.119 8.166 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -1.063 7.054 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A1006 0.895 9.212 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A1006 0.223 7.934 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A1006 0.038 9.644 -2.374 1.00 0.00 H new ATOM 1694 N SER A1007 -4.510 11.119 -1.979 1.00 0.00 N ATOM 1695 CA SER A1007 -4.718 12.570 -1.970 1.00 0.00 C ATOM 1696 C SER A1007 -3.393 13.333 -2.059 1.00 0.00 C ATOM 1697 O SER A1007 -3.286 14.318 -2.790 1.00 0.00 O ATOM 1698 CB SER A1007 -5.483 12.997 -0.715 1.00 0.00 C ATOM 1699 OG SER A1007 -5.689 14.399 -0.695 1.00 0.00 O ATOM 0 H SER A1007 -4.832 10.660 -2.831 1.00 0.00 H new ATOM 0 HA SER A1007 -5.309 12.818 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A1007 -6.444 12.485 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A1007 -4.928 12.695 0.173 1.00 0.00 H new ATOM 0 HG SER A1007 -6.181 14.646 0.116 1.00 0.00 H new ATOM 1705 N GLY A1008 -2.389 12.880 -1.312 1.00 0.00 N ATOM 1706 CA GLY A1008 -1.096 13.535 -1.324 1.00 0.00 C ATOM 1707 C GLY A1008 -0.071 12.799 -0.482 1.00 0.00 C ATOM 1708 O GLY A1008 1.062 12.593 -0.916 1.00 0.00 O ATOM 0 H GLY A1008 -2.451 12.068 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A1008 -0.736 13.606 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -1.204 14.554 -0.953 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.471 12.400 0.725 1.00 0.00 N ATOM 1713 CA ASN A1009 0.422 11.680 1.632 1.00 0.00 C ATOM 1714 C ASN A1009 -0.370 10.850 2.634 1.00 0.00 C ATOM 1715 O ASN A1009 0.140 10.508 3.702 1.00 0.00 O ATOM 1716 CB ASN A1009 1.300 12.663 2.410 1.00 0.00 C ATOM 1717 CG ASN A1009 2.137 13.550 1.510 1.00 0.00 C ATOM 1718 OD1 ASN A1009 2.990 13.069 0.763 1.00 0.00 O ATOM 1719 ND2 ASN A1009 1.898 14.854 1.577 1.00 0.00 N ATOM 0 H ASN A1009 -1.407 12.563 1.097 1.00 0.00 H new ATOM 0 HA ASN A1009 1.043 11.023 1.023 1.00 0.00 H new ATOM 0 HB2 ASN A1009 0.666 13.288 3.039 1.00 0.00 H new ATOM 0 HB3 ASN A1009 1.959 12.105 3.075 1.00 0.00 H new ATOM 0 HD21 ASN A1009 2.431 15.501 0.995 1.00 0.00 H new ATOM 0 HD22 ASN A1009 1.182 15.209 2.210 1.00 0.00 H new ATOM 1726 N THR A1010 -1.613 10.533 2.301 1.00 0.00 N ATOM 1727 CA THR A1010 -2.449 9.751 3.200 1.00 0.00 C ATOM 1728 C THR A1010 -3.464 8.918 2.427 1.00 0.00 C ATOM 1729 O THR A1010 -4.284 9.457 1.690 1.00 0.00 O ATOM 1730 CB THR A1010 -3.194 10.670 4.181 1.00 0.00 C ATOM 1731 OG1 THR A1010 -2.324 11.716 4.628 1.00 0.00 O ATOM 1732 CG2 THR A1010 -3.682 9.883 5.382 1.00 0.00 C ATOM 0 H THR A1010 -2.061 10.802 1.425 1.00 0.00 H new ATOM 0 HA THR A1010 -1.792 9.081 3.754 1.00 0.00 H new ATOM 0 HB THR A1010 -4.051 11.100 3.663 1.00 0.00 H new ATOM 0 HG1 THR A1010 -2.806 12.298 5.252 1.00 0.00 H new ATOM 0 HG21 THR A1010 -4.207 10.550 6.065 1.00 0.00 H new ATOM 0 HG22 THR A1010 -4.360 9.096 5.051 1.00 0.00 H new ATOM 0 HG23 THR A1010 -2.830 9.436 5.894 1.00 0.00 H new ATOM 1740 N ALA A1011 -3.415 7.603 2.602 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.339 6.719 1.904 1.00 0.00 C ATOM 1742 C ALA A1011 -5.717 6.765 2.540 1.00 0.00 C ATOM 1743 O ALA A1011 -5.860 6.619 3.755 1.00 0.00 O ATOM 1744 CB ALA A1011 -3.810 5.294 1.898 1.00 0.00 C ATOM 0 H ALA A1011 -2.752 7.129 3.215 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.425 7.065 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.513 4.647 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -2.844 5.267 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -3.693 4.945 2.924 1.00 0.00 H new ATOM 1750 N HIS A1012 -6.730 6.979 1.710 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.103 7.056 2.195 1.00 0.00 C ATOM 1752 C HIS A1012 -9.098 6.818 1.064 1.00 0.00 C ATOM 1753 O HIS A1012 -8.867 7.233 -0.071 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.356 8.424 2.837 1.00 0.00 C ATOM 1755 CG HIS A1012 -8.453 9.546 1.849 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -9.545 9.729 1.026 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -7.585 10.543 1.546 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -9.347 10.788 0.263 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -8.167 11.300 0.559 1.00 0.00 N ATOM 0 H HIS A1012 -6.628 7.102 0.703 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.245 6.276 2.943 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.280 8.379 3.414 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -7.551 8.640 3.540 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -10.376 9.138 1.010 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -6.618 10.710 1.996 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -10.034 11.170 -0.478 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.207 6.155 1.376 1.00 0.00 N ATOM 1769 CA TRP A1013 -11.226 5.883 0.377 1.00 0.00 C ATOM 1770 C TRP A1013 -11.912 7.171 -0.046 1.00 0.00 C ATOM 1771 O TRP A1013 -12.243 8.017 0.785 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.256 4.882 0.902 1.00 0.00 C ATOM 1773 CG TRP A1013 -11.669 3.539 1.204 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -11.279 3.068 2.423 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.378 2.503 0.261 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -10.782 1.794 2.299 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -10.828 1.427 0.980 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.533 2.380 -1.121 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -10.432 0.244 0.364 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -11.139 1.206 -1.733 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.594 0.151 -0.992 1.00 0.00 C ATOM 0 H TRP A1013 -10.419 5.799 2.308 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.737 5.444 -0.492 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -12.715 5.283 1.806 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -13.051 4.767 0.165 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -11.351 3.617 3.350 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -10.435 1.215 3.064 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.953 3.188 -1.701 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -10.012 -0.571 0.935 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -11.253 1.100 -2.802 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.295 -0.754 -1.500 1.00 0.00 H new ATOM 1792 N SER A1014 -12.112 7.313 -1.346 1.00 0.00 N ATOM 1793 CA SER A1014 -12.747 8.494 -1.904 1.00 0.00 C ATOM 1794 C SER A1014 -14.125 8.740 -1.296 1.00 0.00 C ATOM 1795 O SER A1014 -14.594 9.877 -1.254 1.00 0.00 O ATOM 1796 CB SER A1014 -12.867 8.349 -3.418 1.00 0.00 C ATOM 1797 OG SER A1014 -11.589 8.307 -4.030 1.00 0.00 O ATOM 0 H SER A1014 -11.840 6.617 -2.040 1.00 0.00 H new ATOM 0 HA SER A1014 -12.121 9.353 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A1014 -13.418 7.439 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A1014 -13.440 9.184 -3.822 1.00 0.00 H new ATOM 0 HG SER A1014 -11.669 8.563 -4.973 1.00 0.00 H new ATOM 1803 N THR A1015 -14.782 7.674 -0.838 1.00 0.00 N ATOM 1804 CA THR A1015 -16.115 7.808 -0.254 1.00 0.00 C ATOM 1805 C THR A1015 -16.353 6.816 0.881 1.00 0.00 C ATOM 1806 O THR A1015 -15.897 5.674 0.835 1.00 0.00 O ATOM 1807 CB THR A1015 -17.217 7.605 -1.311 1.00 0.00 C ATOM 1808 OG1 THR A1015 -17.165 6.271 -1.826 1.00 0.00 O ATOM 1809 CG2 THR A1015 -17.065 8.595 -2.455 1.00 0.00 C ATOM 0 H THR A1015 -14.419 6.721 -0.859 1.00 0.00 H new ATOM 0 HA THR A1015 -16.162 8.822 0.143 1.00 0.00 H new ATOM 0 HB THR A1015 -18.180 7.774 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A1015 -17.570 6.249 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A1015 -17.856 8.430 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A1015 -17.136 9.612 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A1015 -16.095 8.455 -2.931 1.00 0.00 H new ATOM 1817 N LYS A1016 -17.086 7.270 1.894 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.416 6.444 3.052 1.00 0.00 C ATOM 1819 C LYS A1016 -18.323 5.281 2.648 1.00 0.00 C ATOM 1820 O LYS A1016 -19.220 5.444 1.821 1.00 0.00 O ATOM 1821 CB LYS A1016 -18.109 7.298 4.118 1.00 0.00 C ATOM 1822 CG LYS A1016 -18.530 6.521 5.356 1.00 0.00 C ATOM 1823 CD LYS A1016 -19.261 7.405 6.353 1.00 0.00 C ATOM 1824 CE LYS A1016 -20.574 7.919 5.785 1.00 0.00 C ATOM 1825 NZ LYS A1016 -21.509 6.810 5.452 1.00 0.00 N ATOM 0 H LYS A1016 -17.466 8.216 1.936 1.00 0.00 H new ATOM 0 HA LYS A1016 -16.492 6.035 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -17.437 8.102 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -18.990 7.766 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -19.175 5.692 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -17.650 6.088 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -19.454 6.842 7.266 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -18.627 8.248 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -21.045 8.586 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -20.376 8.508 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -22.466 7.193 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -21.193 6.340 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -21.522 6.121 6.231 1.00 0.00 H new ATOM 1839 N PRO A1017 -18.104 4.086 3.229 1.00 0.00 N ATOM 1840 CA PRO A1017 -18.911 2.900 2.922 1.00 0.00 C ATOM 1841 C PRO A1017 -20.397 3.122 3.202 1.00 0.00 C ATOM 1842 O PRO A1017 -20.769 3.609 4.269 1.00 0.00 O ATOM 1843 CB PRO A1017 -18.347 1.817 3.854 1.00 0.00 C ATOM 1844 CG PRO A1017 -17.577 2.556 4.896 1.00 0.00 C ATOM 1845 CD PRO A1017 -17.062 3.797 4.226 1.00 0.00 C ATOM 0 HA PRO A1017 -18.853 2.637 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -19.147 1.227 4.301 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -17.706 1.124 3.309 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -18.211 2.806 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.756 1.949 5.278 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -16.940 4.617 4.933 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -16.091 3.631 3.760 1.00 0.00 H new ATOM 1853 N PRO A1018 -21.270 2.772 2.237 1.00 0.00 N ATOM 1854 CA PRO A1018 -22.723 2.941 2.380 1.00 0.00 C ATOM 1855 C PRO A1018 -23.319 2.070 3.481 1.00 0.00 C ATOM 1856 O PRO A1018 -22.608 1.597 4.370 1.00 0.00 O ATOM 1857 CB PRO A1018 -23.269 2.514 1.013 1.00 0.00 C ATOM 1858 CG PRO A1018 -22.212 1.642 0.432 1.00 0.00 C ATOM 1859 CD PRO A1018 -20.909 2.193 0.933 1.00 0.00 C ATOM 0 HA PRO A1018 -22.979 3.962 2.663 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -24.212 1.977 1.115 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -23.461 3.378 0.377 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -22.344 0.606 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -22.249 1.655 -0.657 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -20.154 1.413 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -20.503 2.945 0.257 1.00 0.00 H new ATOM 1867 N ILE A1019 -24.633 1.863 3.414 1.00 0.00 N ATOM 1868 CA ILE A1019 -25.337 1.052 4.404 1.00 0.00 C ATOM 1869 C ILE A1019 -26.449 0.232 3.774 1.00 0.00 C ATOM 1870 O ILE A1019 -27.210 0.733 2.950 1.00 0.00 O ATOM 1871 CB ILE A1019 -26.013 1.911 5.485 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -25.035 2.868 6.151 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -26.666 1.017 6.532 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -25.727 3.791 7.123 1.00 0.00 C ATOM 0 H ILE A1019 -25.232 2.247 2.683 1.00 0.00 H new ATOM 0 HA ILE A1019 -24.568 0.413 4.838 1.00 0.00 H new ATOM 0 HB ILE A1019 -26.776 2.514 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -24.268 2.297 6.675 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -24.528 3.458 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -27.142 1.636 7.293 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -27.417 0.387 6.055 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -25.907 0.388 6.998 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -24.994 4.458 7.577 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -26.476 4.381 6.594 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -26.212 3.202 7.901 1.00 0.00 H new ATOM 1886 N CYS A1020 -26.588 -1.006 4.221 1.00 0.00 N ATOM 1887 CA CYS A1020 -27.667 -1.848 3.745 1.00 0.00 C ATOM 1888 C CYS A1020 -28.843 -1.687 4.700 1.00 0.00 C ATOM 1889 O CYS A1020 -28.690 -1.857 5.909 1.00 0.00 O ATOM 1890 CB CYS A1020 -27.229 -3.311 3.663 1.00 0.00 C ATOM 1891 SG CYS A1020 -25.876 -3.613 2.482 1.00 0.00 S ATOM 0 H CYS A1020 -25.972 -1.444 4.906 1.00 0.00 H new ATOM 0 HA CYS A1020 -27.956 -1.547 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -26.914 -3.642 4.653 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -28.087 -3.921 3.381 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.002 -1.321 4.170 1.00 0.00 N ATOM 1897 CA GLN A1021 -31.168 -1.099 5.017 1.00 0.00 C ATOM 1898 C GLN A1021 -32.452 -1.516 4.308 1.00 0.00 C ATOM 1899 O GLN A1021 -32.655 -1.199 3.139 1.00 0.00 O ATOM 1900 CB GLN A1021 -31.240 0.382 5.393 1.00 0.00 C ATOM 1901 CG GLN A1021 -32.092 0.676 6.612 1.00 0.00 C ATOM 1902 CD GLN A1021 -32.271 2.162 6.869 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -31.672 2.995 6.024 1.00 0.00 O flip ATOM 1904 NE2 GLN A1021 -32.944 2.559 7.821 1.00 0.00 N flip ATOM 0 H GLN A1021 -30.160 -1.173 3.173 1.00 0.00 H new ATOM 0 HA GLN A1021 -31.068 -1.708 5.915 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -30.229 0.748 5.574 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -31.635 0.941 4.545 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -33.071 0.215 6.483 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -31.635 0.214 7.487 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -33.388 1.887 8.447 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -33.057 3.560 7.983 1.00 0.00 H new ATOM 1913 N ARG A1022 -33.309 -2.234 5.028 1.00 0.00 N ATOM 1914 CA ARG A1022 -34.574 -2.710 4.477 1.00 0.00 C ATOM 1915 C ARG A1022 -35.300 -1.623 3.711 1.00 0.00 C ATOM 1916 O ARG A1022 -35.401 -0.479 4.156 1.00 0.00 O ATOM 1917 CB ARG A1022 -35.476 -3.251 5.587 1.00 0.00 C ATOM 1918 CG ARG A1022 -36.887 -3.567 5.113 1.00 0.00 C ATOM 1919 CD ARG A1022 -37.710 -4.232 6.204 1.00 0.00 C ATOM 1920 NE ARG A1022 -37.847 -3.382 7.383 1.00 0.00 N ATOM 1921 CZ ARG A1022 -38.516 -3.738 8.475 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -39.105 -4.925 8.539 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -38.598 -2.907 9.506 1.00 0.00 N ATOM 0 H ARG A1022 -33.149 -2.500 6.000 1.00 0.00 H new ATOM 0 HA ARG A1022 -34.338 -3.514 3.780 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -35.028 -4.154 6.002 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -35.526 -2.520 6.394 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -37.379 -2.648 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -36.841 -4.221 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -38.699 -4.474 5.815 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -37.240 -5.174 6.489 1.00 0.00 H new ATOM 0 HE ARG A1022 -37.404 -2.463 7.368 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -39.045 -5.567 7.749 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -39.618 -5.195 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -38.147 -1.993 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -39.112 -3.182 10.343 1.00 0.00 H new ATOM 1937 N ILE A1023 -35.806 -2.006 2.550 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.532 -1.098 1.690 1.00 0.00 C ATOM 1939 C ILE A1023 -37.931 -0.828 2.239 1.00 0.00 C ATOM 1940 O ILE A1023 -38.675 -1.760 2.544 1.00 0.00 O ATOM 1941 CB ILE A1023 -36.649 -1.673 0.270 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -35.261 -1.996 -0.289 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -37.370 -0.692 -0.626 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -35.289 -2.637 -1.660 1.00 0.00 C ATOM 0 H ILE A1023 -35.723 -2.954 2.182 1.00 0.00 H new ATOM 0 HA ILE A1023 -35.976 -0.161 1.656 1.00 0.00 H new ATOM 0 HB ILE A1023 -37.225 -2.598 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -34.677 -1.077 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.747 -2.663 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -37.449 -1.107 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -38.369 -0.505 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -36.813 0.244 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -34.269 -2.836 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -35.844 -3.574 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -35.773 -1.963 -2.367 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.309 0.454 2.376 1.00 0.00 N ATOM 1957 CA PRO A1024 -39.625 0.845 2.896 1.00 0.00 C ATOM 1958 C PRO A1024 -40.767 0.328 2.026 1.00 0.00 C ATOM 1959 O PRO A1024 -40.750 0.599 0.806 1.00 0.00 O ATOM 1960 CB PRO A1024 -39.578 2.376 2.866 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.127 2.704 2.871 1.00 0.00 C ATOM 1962 CD PRO A1024 -37.489 1.631 2.045 1.00 0.00 C ATOM 1963 OXT PRO A1024 -41.669 -0.343 2.571 1.00 0.00 O ATOM 0 HA PRO A1024 -39.813 0.431 3.887 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -40.071 2.771 1.978 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -40.085 2.806 3.730 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -37.943 3.691 2.447 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -37.727 2.713 3.885 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.521 1.863 0.981 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -36.441 1.484 2.307 1.00 0.00 H new TER 1971 PRO A1024