USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=34 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 975 HIS : no HD1:sc= -0.576 K(o=-1.2,f=-0.08) USER MOD Set 1.2: A 987 THR OG1 : rot 135:sc= -0.583 USER MOD Set 2.1: A 978 THR OG1 : rot 180:sc= -0.117 USER MOD Set 2.2: A 984 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 927 SER OG : rot -42:sc= 1.23 USER MOD Set 3.2: A 944 THR OG1 : rot 13:sc= 1.69 USER MOD Set 4.1: A 914 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 915 THR OG1 : rot -160:sc= 0.532 USER MOD Single : A 901 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-4.3!) USER MOD Single : A 903 GLN : amide:sc= -3.26! K(o=-3.3!,f=-0.6) USER MOD Single : A 907 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.7!) USER MOD Single : A 912 LYS NZ :NH3+ -168:sc= -0.0424 (180deg=-0.237) USER MOD Single : A 916 GLN : amide:sc= -2.53! C(o=-2.5!,f=-2.3!) USER MOD Single : A 917 THR OG1 : rot 180:sc= 0 USER MOD Single : A 918 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 926 THR OG1 : rot 88:sc= -1.9! USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 930 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 936 TYR OH : rot 180:sc= 0 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 942 SER OG : rot 1:sc= -1.8! USER MOD Single : A 948 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 952 SER OG : rot -26:sc= 0.33 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0095) USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 961 LYS NZ :NH3+ 155:sc= -3! (180deg=-5.53!) USER MOD Single : A 962 SER OG : rot 27:sc= 0.302 USER MOD Single : A 964 LYS NZ :NH3+ -168:sc= -0.0232 (180deg=-0.218) USER MOD Single : A 965 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 971 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.63) USER MOD Single : A 973 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 981 GLN : amide:sc= -4.72! C(o=-4.7!,f=-4.1!) USER MOD Single : A 988 TYR OH : rot 80:sc= -0.519 USER MOD Single : A 989 SER OG : rot 180:sc=-0.00268 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= -1.29 K(o=-1.3,f=-1.8!) USER MOD Single : A 999 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-5.7!) USER MOD Single : A1000 SER OG : rot 180:sc= -0.038 USER MOD Single : A1001 SER OG : rot -154:sc= -0.123 USER MOD Single : A1007 SER OG : rot -45:sc= 1.02 USER MOD Single : A1009 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.5!) USER MOD Single : A1010 THR OG1 : rot 180:sc=-0.00299 USER MOD Single : A1012 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-3.2!) USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1015 THR OG1 : rot -143:sc= 0.206 USER MOD Single : A1016 LYS NZ :NH3+ 169:sc= -0.0136 (180deg=-0.182) USER MOD Single : A1021 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 897 34.393 -2.264 -8.731 1.00 0.00 N ATOM 2 CA GLU A 897 35.244 -2.071 -9.934 1.00 0.00 C ATOM 3 C GLU A 897 35.562 -3.403 -10.606 1.00 0.00 C ATOM 4 O GLU A 897 35.532 -3.513 -11.832 1.00 0.00 O ATOM 5 CB GLU A 897 36.535 -1.364 -9.513 1.00 0.00 C ATOM 6 CG GLU A 897 37.338 -2.123 -8.470 1.00 0.00 C ATOM 7 CD GLU A 897 38.612 -1.402 -8.076 1.00 0.00 C ATOM 8 OE1 GLU A 897 39.459 -1.163 -8.962 1.00 0.00 O ATOM 9 OE2 GLU A 897 38.763 -1.076 -6.880 1.00 0.00 O ATOM 0 HA GLU A 897 34.705 -1.462 -10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 897 37.157 -1.209 -10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 897 36.287 -0.378 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 897 36.722 -2.276 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 897 37.589 -3.110 -8.858 1.00 0.00 H new ATOM 18 N ALA A 898 35.869 -4.413 -9.795 1.00 0.00 N ATOM 19 CA ALA A 898 36.196 -5.738 -10.309 1.00 0.00 C ATOM 20 C ALA A 898 36.359 -6.744 -9.174 1.00 0.00 C ATOM 21 O ALA A 898 36.935 -6.428 -8.132 1.00 0.00 O ATOM 22 CB ALA A 898 37.465 -5.683 -11.149 1.00 0.00 C ATOM 0 H ALA A 898 35.898 -4.337 -8.778 1.00 0.00 H new ATOM 0 HA ALA A 898 35.369 -6.067 -10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 898 37.696 -6.680 -11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 898 37.317 -5.004 -11.988 1.00 0.00 H new ATOM 0 HB3 ALA A 898 38.292 -5.326 -10.535 1.00 0.00 H new ATOM 28 N GLU A 899 35.845 -7.954 -9.389 1.00 0.00 N ATOM 29 CA GLU A 899 35.925 -9.021 -8.393 1.00 0.00 C ATOM 30 C GLU A 899 35.107 -8.681 -7.150 1.00 0.00 C ATOM 31 O GLU A 899 35.207 -7.581 -6.608 1.00 0.00 O ATOM 32 CB GLU A 899 37.383 -9.286 -8.006 1.00 0.00 C ATOM 33 CG GLU A 899 37.556 -10.390 -6.973 1.00 0.00 C ATOM 34 CD GLU A 899 37.069 -11.741 -7.464 1.00 0.00 C ATOM 35 OE1 GLU A 899 35.859 -11.871 -7.746 1.00 0.00 O ATOM 36 OE2 GLU A 899 37.899 -12.668 -7.568 1.00 0.00 O ATOM 0 H GLU A 899 35.366 -8.221 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 899 35.507 -9.923 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 899 37.944 -9.549 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 899 37.818 -8.366 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 899 38.609 -10.466 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 899 37.013 -10.121 -6.067 1.00 0.00 H new ATOM 43 N ALA A 900 34.300 -9.641 -6.705 1.00 0.00 N ATOM 44 CA ALA A 900 33.458 -9.463 -5.526 1.00 0.00 C ATOM 45 C ALA A 900 32.628 -8.188 -5.613 1.00 0.00 C ATOM 46 O ALA A 900 32.264 -7.746 -6.704 1.00 0.00 O ATOM 47 CB ALA A 900 34.309 -9.462 -4.265 1.00 0.00 C ATOM 0 H ALA A 900 34.212 -10.556 -7.147 1.00 0.00 H new ATOM 0 HA ALA A 900 32.764 -10.302 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 900 33.668 -9.328 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 900 34.839 -10.411 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 900 35.030 -8.646 -4.313 1.00 0.00 H new ATOM 53 N HIS A 901 32.328 -7.614 -4.452 1.00 0.00 N ATOM 54 CA HIS A 901 31.529 -6.393 -4.370 1.00 0.00 C ATOM 55 C HIS A 901 30.094 -6.649 -4.823 1.00 0.00 C ATOM 56 O HIS A 901 29.857 -7.382 -5.782 1.00 0.00 O ATOM 57 CB HIS A 901 32.156 -5.281 -5.216 1.00 0.00 C ATOM 58 CG HIS A 901 33.532 -4.891 -4.771 1.00 0.00 C ATOM 59 ND1 HIS A 901 34.575 -5.787 -4.673 1.00 0.00 N ATOM 60 CD2 HIS A 901 34.036 -3.688 -4.405 1.00 0.00 C ATOM 61 CE1 HIS A 901 35.660 -5.155 -4.264 1.00 0.00 C ATOM 62 NE2 HIS A 901 35.360 -3.880 -4.094 1.00 0.00 N ATOM 0 H HIS A 901 32.628 -7.977 -3.548 1.00 0.00 H new ATOM 0 HA HIS A 901 31.511 -6.074 -3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 901 32.198 -5.607 -6.255 1.00 0.00 H new ATOM 0 HB3 HIS A 901 31.510 -4.403 -5.183 1.00 0.00 H new ATOM 0 HD2 HIS A 901 33.497 -2.753 -4.365 1.00 0.00 H new ATOM 0 HE1 HIS A 901 36.628 -5.604 -4.097 1.00 0.00 H new ATOM 0 HE2 HIS A 901 36.007 -3.155 -3.782 1.00 0.00 H new ATOM 71 N CYS A 902 29.137 -6.036 -4.129 1.00 0.00 N ATOM 72 CA CYS A 902 27.729 -6.200 -4.469 1.00 0.00 C ATOM 73 C CYS A 902 27.351 -5.306 -5.643 1.00 0.00 C ATOM 74 O CYS A 902 27.628 -4.107 -5.638 1.00 0.00 O ATOM 75 CB CYS A 902 26.840 -5.874 -3.265 1.00 0.00 C ATOM 76 SG CYS A 902 26.777 -7.178 -1.993 1.00 0.00 S ATOM 0 H CYS A 902 29.312 -5.424 -3.332 1.00 0.00 H new ATOM 0 HA CYS A 902 27.572 -7.241 -4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 902 27.198 -4.953 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 902 25.827 -5.681 -3.619 1.00 0.00 H new ATOM 81 N GLN A 903 26.721 -5.902 -6.651 1.00 0.00 N ATOM 82 CA GLN A 903 26.309 -5.161 -7.837 1.00 0.00 C ATOM 83 C GLN A 903 25.259 -4.116 -7.496 1.00 0.00 C ATOM 84 O GLN A 903 24.696 -4.112 -6.399 1.00 0.00 O ATOM 85 CB GLN A 903 25.756 -6.104 -8.906 1.00 0.00 C ATOM 86 CG GLN A 903 26.727 -7.193 -9.330 1.00 0.00 C ATOM 87 CD GLN A 903 27.978 -6.657 -10.008 1.00 0.00 C ATOM 88 OE1 GLN A 903 28.897 -7.416 -10.319 1.00 0.00 O ATOM 89 NE2 GLN A 903 28.020 -5.351 -10.256 1.00 0.00 N ATOM 0 H GLN A 903 26.485 -6.894 -6.670 1.00 0.00 H new ATOM 0 HA GLN A 903 27.194 -4.658 -8.226 1.00 0.00 H new ATOM 0 HB2 GLN A 903 24.845 -6.570 -8.529 1.00 0.00 H new ATOM 0 HB3 GLN A 903 25.476 -5.519 -9.782 1.00 0.00 H new ATOM 0 HG2 GLN A 903 27.018 -7.772 -8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 903 26.219 -7.877 -10.010 1.00 0.00 H new ATOM 0 HE21 GLN A 903 27.239 -4.755 -9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 903 28.833 -4.946 -10.719 1.00 0.00 H new ATOM 98 N ALA A 904 25.005 -3.235 -8.457 1.00 0.00 N ATOM 99 CA ALA A 904 24.025 -2.171 -8.297 1.00 0.00 C ATOM 100 C ALA A 904 22.729 -2.699 -7.686 1.00 0.00 C ATOM 101 O ALA A 904 22.132 -3.644 -8.203 1.00 0.00 O ATOM 102 CB ALA A 904 23.747 -1.524 -9.644 1.00 0.00 C ATOM 0 H ALA A 904 25.471 -3.239 -9.364 1.00 0.00 H new ATOM 0 HA ALA A 904 24.435 -1.426 -7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 904 23.013 -0.728 -9.521 1.00 0.00 H new ATOM 0 HB2 ALA A 904 24.671 -1.107 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 904 23.358 -2.273 -10.334 1.00 0.00 H new ATOM 108 N PRO A 905 22.277 -2.097 -6.574 1.00 0.00 N ATOM 109 CA PRO A 905 21.048 -2.516 -5.898 1.00 0.00 C ATOM 110 C PRO A 905 19.799 -2.093 -6.637 1.00 0.00 C ATOM 111 O PRO A 905 19.579 -0.913 -6.910 1.00 0.00 O ATOM 112 CB PRO A 905 21.139 -1.819 -4.543 1.00 0.00 C ATOM 113 CG PRO A 905 21.944 -0.595 -4.806 1.00 0.00 C ATOM 114 CD PRO A 905 22.926 -0.963 -5.886 1.00 0.00 C ATOM 0 HA PRO A 905 20.971 -3.601 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 905 20.150 -1.569 -4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 905 21.618 -2.457 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 905 21.306 0.230 -5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 905 22.461 -0.268 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 905 23.104 -0.130 -6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 905 23.892 -1.247 -5.469 1.00 0.00 H new ATOM 122 N ASP A 906 18.982 -3.082 -6.947 1.00 0.00 N ATOM 123 CA ASP A 906 17.739 -2.870 -7.644 1.00 0.00 C ATOM 124 C ASP A 906 16.748 -2.104 -6.774 1.00 0.00 C ATOM 125 O ASP A 906 16.593 -2.400 -5.588 1.00 0.00 O ATOM 126 CB ASP A 906 17.165 -4.222 -8.035 1.00 0.00 C ATOM 127 CG ASP A 906 18.067 -4.984 -8.987 1.00 0.00 C ATOM 128 OD1 ASP A 906 19.221 -5.274 -8.608 1.00 0.00 O ATOM 129 OD2 ASP A 906 17.618 -5.291 -10.112 1.00 0.00 O ATOM 0 H ASP A 906 19.168 -4.059 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 906 17.923 -2.272 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 906 17.004 -4.818 -7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 906 16.190 -4.078 -8.501 1.00 0.00 H new ATOM 134 N HIS A 907 16.072 -1.123 -7.365 1.00 0.00 N ATOM 135 CA HIS A 907 15.094 -0.327 -6.632 1.00 0.00 C ATOM 136 C HIS A 907 13.799 -1.103 -6.458 1.00 0.00 C ATOM 137 O HIS A 907 13.339 -1.780 -7.377 1.00 0.00 O ATOM 138 CB HIS A 907 14.816 0.989 -7.351 1.00 0.00 C ATOM 139 CG HIS A 907 16.021 1.861 -7.482 1.00 0.00 C ATOM 140 ND1 HIS A 907 16.691 2.395 -6.401 1.00 0.00 N ATOM 141 CD2 HIS A 907 16.679 2.285 -8.579 1.00 0.00 C ATOM 142 CE1 HIS A 907 17.712 3.114 -6.834 1.00 0.00 C ATOM 143 NE2 HIS A 907 17.727 3.063 -8.153 1.00 0.00 N ATOM 0 H HIS A 907 16.183 -0.861 -8.345 1.00 0.00 H new ATOM 0 HA HIS A 907 15.510 -0.106 -5.649 1.00 0.00 H new ATOM 0 HB2 HIS A 907 14.422 0.775 -8.345 1.00 0.00 H new ATOM 0 HB3 HIS A 907 14.041 1.532 -6.811 1.00 0.00 H new ATOM 0 HD2 HIS A 907 16.428 2.055 -9.604 1.00 0.00 H new ATOM 0 HE1 HIS A 907 18.414 3.652 -6.214 1.00 0.00 H new ATOM 0 HE2 HIS A 907 18.406 3.526 -8.757 1.00 0.00 H new ATOM 152 N PHE A 908 13.221 -1.003 -5.271 1.00 0.00 N ATOM 153 CA PHE A 908 11.978 -1.702 -4.971 1.00 0.00 C ATOM 154 C PHE A 908 10.763 -0.859 -5.331 1.00 0.00 C ATOM 155 O PHE A 908 9.674 -1.069 -4.800 1.00 0.00 O ATOM 156 CB PHE A 908 11.930 -2.106 -3.498 1.00 0.00 C ATOM 157 CG PHE A 908 12.985 -3.107 -3.128 1.00 0.00 C ATOM 158 CD1 PHE A 908 14.326 -2.755 -3.125 1.00 0.00 C ATOM 159 CD2 PHE A 908 12.635 -4.403 -2.786 1.00 0.00 C ATOM 160 CE1 PHE A 908 15.299 -3.677 -2.788 1.00 0.00 C ATOM 161 CE2 PHE A 908 13.603 -5.330 -2.449 1.00 0.00 C ATOM 162 CZ PHE A 908 14.937 -4.967 -2.451 1.00 0.00 C ATOM 0 H PHE A 908 13.591 -0.446 -4.500 1.00 0.00 H new ATOM 0 HA PHE A 908 11.951 -2.604 -5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 908 12.049 -1.216 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 908 10.948 -2.522 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 908 14.614 -1.748 -3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 908 11.594 -4.692 -2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 908 16.340 -3.390 -2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 908 13.318 -6.337 -2.184 1.00 0.00 H new ATOM 0 HZ PHE A 908 15.695 -5.691 -2.190 1.00 0.00 H new ATOM 172 N LEU A 909 10.961 0.074 -6.262 1.00 0.00 N ATOM 173 CA LEU A 909 9.891 0.948 -6.742 1.00 0.00 C ATOM 174 C LEU A 909 9.421 1.944 -5.686 1.00 0.00 C ATOM 175 O LEU A 909 9.466 3.150 -5.909 1.00 0.00 O ATOM 176 CB LEU A 909 8.699 0.119 -7.224 1.00 0.00 C ATOM 177 CG LEU A 909 8.919 -0.660 -8.522 1.00 0.00 C ATOM 178 CD1 LEU A 909 10.050 -1.666 -8.374 1.00 0.00 C ATOM 179 CD2 LEU A 909 7.635 -1.358 -8.930 1.00 0.00 C ATOM 0 H LEU A 909 11.865 0.245 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 909 10.309 1.520 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 909 8.429 -0.587 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 909 7.847 0.785 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 909 9.203 0.046 -9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 909 10.183 -2.205 -9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 909 10.972 -1.142 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 909 9.806 -2.373 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 909 7.799 -1.911 -9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 909 7.331 -2.049 -8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 909 6.851 -0.617 -9.085 1.00 0.00 H new ATOM 191 N PHE A 910 8.948 1.439 -4.549 1.00 0.00 N ATOM 192 CA PHE A 910 8.445 2.303 -3.485 1.00 0.00 C ATOM 193 C PHE A 910 9.574 2.858 -2.625 1.00 0.00 C ATOM 194 O PHE A 910 9.388 3.116 -1.434 1.00 0.00 O ATOM 195 CB PHE A 910 7.441 1.534 -2.617 1.00 0.00 C ATOM 196 CG PHE A 910 7.974 0.244 -2.044 1.00 0.00 C ATOM 197 CD1 PHE A 910 8.989 0.248 -1.100 1.00 0.00 C ATOM 198 CD2 PHE A 910 7.454 -0.972 -2.455 1.00 0.00 C ATOM 199 CE1 PHE A 910 9.474 -0.935 -0.575 1.00 0.00 C ATOM 200 CE2 PHE A 910 7.934 -2.160 -1.934 1.00 0.00 C ATOM 201 CZ PHE A 910 8.946 -2.140 -0.993 1.00 0.00 C ATOM 0 H PHE A 910 8.903 0.441 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 910 7.944 3.151 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.121 2.177 -1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 910 6.556 1.314 -3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 910 9.406 1.188 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 910 6.664 -0.993 -3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 910 10.264 -0.917 0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 910 7.519 -3.101 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 910 9.323 -3.066 -0.585 1.00 0.00 H new ATOM 211 N ALA A 911 10.738 3.058 -3.231 1.00 0.00 N ATOM 212 CA ALA A 911 11.881 3.596 -2.503 1.00 0.00 C ATOM 213 C ALA A 911 12.829 4.349 -3.426 1.00 0.00 C ATOM 214 O ALA A 911 13.348 3.790 -4.392 1.00 0.00 O ATOM 215 CB ALA A 911 12.621 2.478 -1.788 1.00 0.00 C ATOM 0 H ALA A 911 10.915 2.858 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 911 11.503 4.304 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 911 13.472 2.892 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.948 1.988 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.974 1.750 -2.518 1.00 0.00 H new ATOM 221 N LYS A 912 13.062 5.620 -3.110 1.00 0.00 N ATOM 222 CA LYS A 912 13.962 6.450 -3.898 1.00 0.00 C ATOM 223 C LYS A 912 15.327 6.537 -3.225 1.00 0.00 C ATOM 224 O LYS A 912 15.430 6.924 -2.060 1.00 0.00 O ATOM 225 CB LYS A 912 13.376 7.853 -4.078 1.00 0.00 C ATOM 226 CG LYS A 912 12.036 7.864 -4.796 1.00 0.00 C ATOM 227 CD LYS A 912 11.503 9.279 -4.969 1.00 0.00 C ATOM 228 CE LYS A 912 11.246 9.951 -3.630 1.00 0.00 C ATOM 229 NZ LYS A 912 10.244 9.206 -2.818 1.00 0.00 N ATOM 0 H LYS A 912 12.639 6.096 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 912 14.082 5.992 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 912 13.258 8.317 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 912 14.084 8.465 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 912 12.143 7.393 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 912 11.316 7.270 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 912 12.218 9.870 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 912 10.578 9.252 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 912 12.181 10.024 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 912 10.894 10.969 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 9.945 9.792 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 9.418 8.981 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 10.669 8.324 -2.466 1.00 0.00 H new ATOM 243 N LEU A 913 16.370 6.169 -3.962 1.00 0.00 N ATOM 244 CA LEU A 913 17.729 6.202 -3.436 1.00 0.00 C ATOM 245 C LEU A 913 18.032 7.542 -2.767 1.00 0.00 C ATOM 246 O LEU A 913 17.991 8.593 -3.408 1.00 0.00 O ATOM 247 CB LEU A 913 18.731 5.911 -4.563 1.00 0.00 C ATOM 248 CG LEU A 913 20.213 6.023 -4.189 1.00 0.00 C ATOM 249 CD1 LEU A 913 20.674 7.471 -4.249 1.00 0.00 C ATOM 250 CD2 LEU A 913 20.478 5.413 -2.817 1.00 0.00 C ATOM 0 H LEU A 913 16.299 5.844 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 913 17.824 5.430 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.546 4.904 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 913 18.531 6.597 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 913 20.793 5.457 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 913 21.729 7.528 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.536 7.855 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 913 20.088 8.069 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 913 21.537 5.506 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 913 19.888 5.937 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 913 20.199 4.359 -2.827 1.00 0.00 H new ATOM 262 N LYS A 914 18.329 7.491 -1.470 1.00 0.00 N ATOM 263 CA LYS A 914 18.637 8.694 -0.701 1.00 0.00 C ATOM 264 C LYS A 914 20.146 8.920 -0.611 1.00 0.00 C ATOM 265 O LYS A 914 20.631 10.029 -0.837 1.00 0.00 O ATOM 266 CB LYS A 914 18.022 8.589 0.701 1.00 0.00 C ATOM 267 CG LYS A 914 18.119 9.865 1.532 1.00 0.00 C ATOM 268 CD LYS A 914 19.519 10.090 2.086 1.00 0.00 C ATOM 269 CE LYS A 914 19.927 8.977 3.040 1.00 0.00 C ATOM 270 NZ LYS A 914 21.314 9.163 3.550 1.00 0.00 N ATOM 0 H LYS A 914 18.363 6.627 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 914 18.204 9.552 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 914 16.972 8.313 0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 914 18.515 7.781 1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 914 17.833 10.719 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 914 17.408 9.813 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 914 20.232 10.145 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 914 19.556 11.048 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 914 19.233 8.946 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 914 19.854 8.017 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 21.554 8.384 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 21.980 9.167 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 21.378 10.068 4.059 1.00 0.00 H new ATOM 284 N THR A 915 20.881 7.865 -0.266 1.00 0.00 N ATOM 285 CA THR A 915 22.334 7.951 -0.129 1.00 0.00 C ATOM 286 C THR A 915 23.006 8.263 -1.461 1.00 0.00 C ATOM 287 O THR A 915 22.771 7.583 -2.456 1.00 0.00 O ATOM 288 CB THR A 915 22.920 6.641 0.432 1.00 0.00 C ATOM 289 OG1 THR A 915 22.500 6.459 1.790 1.00 0.00 O ATOM 290 CG2 THR A 915 24.441 6.647 0.360 1.00 0.00 C ATOM 0 H THR A 915 20.495 6.940 -0.076 1.00 0.00 H new ATOM 0 HA THR A 915 22.533 8.765 0.568 1.00 0.00 H new ATOM 0 HB THR A 915 22.551 5.816 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 915 23.102 5.828 2.237 1.00 0.00 H new ATOM 0 HG21 THR A 915 24.828 5.711 0.762 1.00 0.00 H new ATOM 0 HG22 THR A 915 24.756 6.753 -0.678 1.00 0.00 H new ATOM 0 HG23 THR A 915 24.830 7.481 0.944 1.00 0.00 H new ATOM 298 N GLN A 916 23.857 9.285 -1.466 1.00 0.00 N ATOM 299 CA GLN A 916 24.570 9.673 -2.676 1.00 0.00 C ATOM 300 C GLN A 916 25.286 8.475 -3.293 1.00 0.00 C ATOM 301 O GLN A 916 25.915 7.685 -2.589 1.00 0.00 O ATOM 302 CB GLN A 916 25.558 10.806 -2.379 1.00 0.00 C ATOM 303 CG GLN A 916 26.390 10.592 -1.124 1.00 0.00 C ATOM 304 CD GLN A 916 27.405 9.475 -1.265 1.00 0.00 C ATOM 305 OE1 GLN A 916 28.273 9.515 -2.135 1.00 0.00 O ATOM 306 NE2 GLN A 916 27.298 8.469 -0.404 1.00 0.00 N ATOM 0 H GLN A 916 24.068 9.857 -0.648 1.00 0.00 H new ATOM 0 HA GLN A 916 23.841 10.037 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 916 26.228 10.922 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 916 25.004 11.740 -2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 916 26.910 11.518 -0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 916 25.726 10.368 -0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 916 26.562 8.478 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 916 27.952 7.688 -0.449 1.00 0.00 H new ATOM 315 N THR A 917 25.168 8.337 -4.609 1.00 0.00 N ATOM 316 CA THR A 917 25.787 7.226 -5.324 1.00 0.00 C ATOM 317 C THR A 917 26.110 7.614 -6.764 1.00 0.00 C ATOM 318 O THR A 917 25.370 8.367 -7.396 1.00 0.00 O ATOM 319 CB THR A 917 24.875 5.981 -5.342 1.00 0.00 C ATOM 320 OG1 THR A 917 23.638 6.290 -5.996 1.00 0.00 O ATOM 321 CG2 THR A 917 24.593 5.479 -3.933 1.00 0.00 C ATOM 0 H THR A 917 24.648 8.982 -5.204 1.00 0.00 H new ATOM 0 HA THR A 917 26.707 6.987 -4.791 1.00 0.00 H new ATOM 0 HB THR A 917 25.395 5.194 -5.888 1.00 0.00 H new ATOM 0 HG1 THR A 917 23.065 5.495 -6.005 1.00 0.00 H new ATOM 0 HG21 THR A 917 23.948 4.602 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 917 25.532 5.213 -3.447 1.00 0.00 H new ATOM 0 HG23 THR A 917 24.097 6.263 -3.360 1.00 0.00 H new ATOM 329 N THR A 918 27.221 7.092 -7.274 1.00 0.00 N ATOM 330 CA THR A 918 27.648 7.380 -8.639 1.00 0.00 C ATOM 331 C THR A 918 28.559 6.268 -9.159 1.00 0.00 C ATOM 332 O THR A 918 29.675 6.517 -9.615 1.00 0.00 O ATOM 333 CB THR A 918 28.387 8.732 -8.724 1.00 0.00 C ATOM 334 OG1 THR A 918 27.603 9.757 -8.102 1.00 0.00 O ATOM 335 CG2 THR A 918 28.657 9.115 -10.173 1.00 0.00 C ATOM 0 H THR A 918 27.843 6.466 -6.762 1.00 0.00 H new ATOM 0 HA THR A 918 26.752 7.436 -9.258 1.00 0.00 H new ATOM 0 HB THR A 918 29.340 8.630 -8.205 1.00 0.00 H new ATOM 0 HG1 THR A 918 28.079 10.612 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 918 29.179 10.072 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 918 29.274 8.349 -10.643 1.00 0.00 H new ATOM 0 HG23 THR A 918 27.712 9.199 -10.709 1.00 0.00 H new ATOM 343 N ALA A 919 28.071 5.034 -9.071 1.00 0.00 N ATOM 344 CA ALA A 919 28.828 3.872 -9.516 1.00 0.00 C ATOM 345 C ALA A 919 27.935 2.638 -9.584 1.00 0.00 C ATOM 346 O ALA A 919 26.907 2.568 -8.910 1.00 0.00 O ATOM 347 CB ALA A 919 30.002 3.622 -8.583 1.00 0.00 C ATOM 0 H ALA A 919 27.149 4.814 -8.693 1.00 0.00 H new ATOM 0 HA ALA A 919 29.209 4.073 -10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 919 30.560 2.751 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 919 30.656 4.494 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 919 29.633 3.442 -7.574 1.00 0.00 H new ATOM 353 N SER A 920 28.327 1.668 -10.404 1.00 0.00 N ATOM 354 CA SER A 920 27.554 0.441 -10.557 1.00 0.00 C ATOM 355 C SER A 920 27.942 -0.585 -9.497 1.00 0.00 C ATOM 356 O SER A 920 27.080 -1.190 -8.859 1.00 0.00 O ATOM 357 CB SER A 920 27.761 -0.145 -11.949 1.00 0.00 C ATOM 358 OG SER A 920 27.031 -1.348 -12.112 1.00 0.00 O ATOM 0 H SER A 920 29.174 1.708 -10.972 1.00 0.00 H new ATOM 0 HA SER A 920 26.500 0.688 -10.427 1.00 0.00 H new ATOM 0 HB2 SER A 920 27.447 0.579 -12.701 1.00 0.00 H new ATOM 0 HB3 SER A 920 28.822 -0.335 -12.112 1.00 0.00 H new ATOM 0 HG SER A 920 27.180 -1.702 -13.014 1.00 0.00 H new ATOM 364 N ASP A 921 29.245 -0.774 -9.312 1.00 0.00 N ATOM 365 CA ASP A 921 29.750 -1.723 -8.326 1.00 0.00 C ATOM 366 C ASP A 921 29.838 -1.079 -6.945 1.00 0.00 C ATOM 367 O ASP A 921 30.194 0.093 -6.821 1.00 0.00 O ATOM 368 CB ASP A 921 31.125 -2.245 -8.747 1.00 0.00 C ATOM 369 CG ASP A 921 31.088 -2.964 -10.082 1.00 0.00 C ATOM 370 OD1 ASP A 921 30.713 -2.326 -11.089 1.00 0.00 O ATOM 371 OD2 ASP A 921 31.435 -4.163 -10.121 1.00 0.00 O ATOM 0 H ASP A 921 29.971 -0.282 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 921 29.052 -2.559 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 921 31.824 -1.411 -8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 921 31.502 -2.924 -7.982 1.00 0.00 H new ATOM 376 N PHE A 922 29.512 -1.850 -5.911 1.00 0.00 N ATOM 377 CA PHE A 922 29.558 -1.348 -4.541 1.00 0.00 C ATOM 378 C PHE A 922 30.333 -2.293 -3.627 1.00 0.00 C ATOM 379 O PHE A 922 30.125 -3.505 -3.650 1.00 0.00 O ATOM 380 CB PHE A 922 28.146 -1.149 -3.983 1.00 0.00 C ATOM 381 CG PHE A 922 27.427 0.039 -4.551 1.00 0.00 C ATOM 382 CD1 PHE A 922 27.019 0.058 -5.874 1.00 0.00 C ATOM 383 CD2 PHE A 922 27.166 1.142 -3.756 1.00 0.00 C ATOM 384 CE1 PHE A 922 26.361 1.156 -6.392 1.00 0.00 C ATOM 385 CE2 PHE A 922 26.509 2.243 -4.269 1.00 0.00 C ATOM 386 CZ PHE A 922 26.105 2.250 -5.589 1.00 0.00 C ATOM 0 H PHE A 922 29.214 -2.822 -5.995 1.00 0.00 H new ATOM 0 HA PHE A 922 30.072 -0.387 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 922 27.558 -2.045 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.206 -1.041 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 922 27.217 -0.794 -6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.480 1.141 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 922 26.047 1.159 -7.425 1.00 0.00 H new ATOM 0 HE2 PHE A 922 26.312 3.097 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 922 25.590 3.109 -5.993 1.00 0.00 H new ATOM 396 N PRO A 923 31.238 -1.738 -2.800 1.00 0.00 N ATOM 397 CA PRO A 923 32.044 -2.528 -1.865 1.00 0.00 C ATOM 398 C PRO A 923 31.212 -3.088 -0.717 1.00 0.00 C ATOM 399 O PRO A 923 30.311 -2.420 -0.211 1.00 0.00 O ATOM 400 CB PRO A 923 33.072 -1.522 -1.344 1.00 0.00 C ATOM 401 CG PRO A 923 32.411 -0.195 -1.490 1.00 0.00 C ATOM 402 CD PRO A 923 31.537 -0.296 -2.709 1.00 0.00 C ATOM 0 HA PRO A 923 32.490 -3.400 -2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.331 -1.723 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.998 -1.569 -1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.820 0.045 -0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 923 33.150 0.598 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.628 0.296 -2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 923 32.049 0.065 -3.601 1.00 0.00 H new ATOM 410 N ILE A 924 31.519 -4.315 -0.309 1.00 0.00 N ATOM 411 CA ILE A 924 30.798 -4.962 0.782 1.00 0.00 C ATOM 412 C ILE A 924 30.827 -4.101 2.041 1.00 0.00 C ATOM 413 O ILE A 924 31.747 -3.308 2.242 1.00 0.00 O ATOM 414 CB ILE A 924 31.383 -6.346 1.105 1.00 0.00 C ATOM 415 CG1 ILE A 924 31.543 -7.169 -0.177 1.00 0.00 C ATOM 416 CG2 ILE A 924 30.477 -7.063 2.091 1.00 0.00 C ATOM 417 CD1 ILE A 924 32.173 -8.527 0.044 1.00 0.00 C ATOM 0 H ILE A 924 32.262 -4.882 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 924 29.767 -5.086 0.450 1.00 0.00 H new ATOM 0 HB ILE A 924 32.368 -6.223 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 924 30.564 -7.304 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 924 32.152 -6.607 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 924 30.892 -8.044 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 924 30.402 -6.478 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 924 29.485 -7.182 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 924 32.253 -9.050 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 924 33.167 -8.401 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 924 31.553 -9.109 0.726 1.00 0.00 H new ATOM 429 N GLY A 925 29.803 -4.250 2.876 1.00 0.00 N ATOM 430 CA GLY A 925 29.718 -3.468 4.093 1.00 0.00 C ATOM 431 C GLY A 925 29.008 -2.152 3.857 1.00 0.00 C ATOM 432 O GLY A 925 28.361 -1.610 4.754 1.00 0.00 O ATOM 0 H GLY A 925 29.030 -4.900 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 925 29.188 -4.037 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 925 30.721 -3.278 4.476 1.00 0.00 H new ATOM 436 N THR A 926 29.130 -1.647 2.635 1.00 0.00 N ATOM 437 CA THR A 926 28.503 -0.394 2.245 1.00 0.00 C ATOM 438 C THR A 926 27.000 -0.415 2.508 1.00 0.00 C ATOM 439 O THR A 926 26.323 -1.409 2.238 1.00 0.00 O ATOM 440 CB THR A 926 28.754 -0.098 0.756 1.00 0.00 C ATOM 441 OG1 THR A 926 30.143 0.173 0.537 1.00 0.00 O ATOM 442 CG2 THR A 926 27.920 1.078 0.283 1.00 0.00 C ATOM 0 H THR A 926 29.665 -2.094 1.890 1.00 0.00 H new ATOM 0 HA THR A 926 28.953 0.392 2.852 1.00 0.00 H new ATOM 0 HB THR A 926 28.461 -0.978 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 926 30.616 -0.667 0.361 1.00 0.00 H new ATOM 0 HG21 THR A 926 28.118 1.264 -0.773 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.862 0.852 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 926 28.179 1.964 0.862 1.00 0.00 H new ATOM 450 N SER A 927 26.488 0.696 3.032 1.00 0.00 N ATOM 451 CA SER A 927 25.067 0.825 3.334 1.00 0.00 C ATOM 452 C SER A 927 24.429 1.914 2.476 1.00 0.00 C ATOM 453 O SER A 927 25.040 2.949 2.213 1.00 0.00 O ATOM 454 CB SER A 927 24.867 1.150 4.816 1.00 0.00 C ATOM 455 OG SER A 927 25.433 0.147 5.641 1.00 0.00 O ATOM 0 H SER A 927 27.041 1.523 3.257 1.00 0.00 H new ATOM 0 HA SER A 927 24.584 -0.126 3.108 1.00 0.00 H new ATOM 0 HB2 SER A 927 25.323 2.113 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 927 23.802 1.243 5.030 1.00 0.00 H new ATOM 0 HG SER A 927 25.226 -0.736 5.271 1.00 0.00 H new ATOM 461 N LEU A 928 23.193 1.676 2.047 1.00 0.00 N ATOM 462 CA LEU A 928 22.470 2.640 1.226 1.00 0.00 C ATOM 463 C LEU A 928 21.052 2.836 1.751 1.00 0.00 C ATOM 464 O LEU A 928 20.263 1.892 1.810 1.00 0.00 O ATOM 465 CB LEU A 928 22.426 2.171 -0.231 1.00 0.00 C ATOM 466 CG LEU A 928 23.789 2.052 -0.917 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.629 1.496 -2.324 1.00 0.00 C ATOM 468 CD2 LEU A 928 24.489 3.401 -0.954 1.00 0.00 C ATOM 0 H LEU A 928 22.672 0.824 2.255 1.00 0.00 H new ATOM 0 HA LEU A 928 22.996 3.593 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 928 21.932 1.200 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.809 2.865 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 928 24.405 1.362 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 928 24.608 1.418 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 928 23.170 0.509 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 928 22.995 2.163 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 928 25.456 3.296 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.877 4.114 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 928 24.637 3.762 0.064 1.00 0.00 H new ATOM 480 N LYS A 929 20.739 4.067 2.142 1.00 0.00 N ATOM 481 CA LYS A 929 19.421 4.393 2.674 1.00 0.00 C ATOM 482 C LYS A 929 18.459 4.804 1.564 1.00 0.00 C ATOM 483 O LYS A 929 18.828 5.540 0.649 1.00 0.00 O ATOM 484 CB LYS A 929 19.536 5.513 3.709 1.00 0.00 C ATOM 485 CG LYS A 929 18.218 5.860 4.384 1.00 0.00 C ATOM 486 CD LYS A 929 18.400 6.925 5.454 1.00 0.00 C ATOM 487 CE LYS A 929 19.342 6.459 6.553 1.00 0.00 C ATOM 488 NZ LYS A 929 19.531 7.498 7.603 1.00 0.00 N ATOM 0 H LYS A 929 21.382 4.857 2.100 1.00 0.00 H new ATOM 0 HA LYS A 929 19.021 3.499 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 929 20.258 5.219 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.931 6.405 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 929 17.507 6.212 3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 929 17.791 4.963 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 929 18.792 7.835 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 929 17.432 7.176 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 929 18.947 5.551 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 929 20.308 6.203 6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 20.180 7.140 8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 19.932 8.356 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 18.613 7.724 8.037 1.00 0.00 H new ATOM 502 N TYR A 930 17.221 4.327 1.658 1.00 0.00 N ATOM 503 CA TYR A 930 16.195 4.648 0.670 1.00 0.00 C ATOM 504 C TYR A 930 14.928 5.151 1.357 1.00 0.00 C ATOM 505 O TYR A 930 14.475 4.570 2.343 1.00 0.00 O ATOM 506 CB TYR A 930 15.862 3.427 -0.193 1.00 0.00 C ATOM 507 CG TYR A 930 16.986 2.971 -1.100 1.00 0.00 C ATOM 508 CD1 TYR A 930 18.195 2.526 -0.580 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.828 2.974 -2.480 1.00 0.00 C ATOM 510 CE1 TYR A 930 19.216 2.102 -1.410 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.844 2.549 -3.316 1.00 0.00 C ATOM 512 CZ TYR A 930 19.035 2.116 -2.775 1.00 0.00 C ATOM 513 OH TYR A 930 20.049 1.693 -3.605 1.00 0.00 O ATOM 0 H TYR A 930 16.903 3.715 2.410 1.00 0.00 H new ATOM 0 HA TYR A 930 16.589 5.434 0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.583 2.601 0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.990 3.658 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.340 2.511 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.896 3.314 -2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 930 20.151 1.761 -0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.705 2.556 -4.387 1.00 0.00 H new ATOM 0 HH TYR A 930 19.759 1.765 -4.538 1.00 0.00 H new ATOM 523 N GLU A 931 14.365 6.235 0.834 1.00 0.00 N ATOM 524 CA GLU A 931 13.153 6.818 1.403 1.00 0.00 C ATOM 525 C GLU A 931 11.906 6.311 0.682 1.00 0.00 C ATOM 526 O GLU A 931 11.761 6.485 -0.528 1.00 0.00 O ATOM 527 CB GLU A 931 13.214 8.344 1.326 1.00 0.00 C ATOM 528 CG GLU A 931 14.383 8.946 2.090 1.00 0.00 C ATOM 529 CD GLU A 931 14.425 10.459 1.999 1.00 0.00 C ATOM 530 OE1 GLU A 931 13.540 11.041 1.335 1.00 0.00 O ATOM 531 OE2 GLU A 931 15.344 11.064 2.591 1.00 0.00 O ATOM 0 H GLU A 931 14.727 6.728 0.018 1.00 0.00 H new ATOM 0 HA GLU A 931 13.092 6.513 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 931 13.281 8.644 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 931 12.284 8.757 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 931 14.318 8.651 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 931 15.315 8.537 1.701 1.00 0.00 H new ATOM 538 N CYS A 932 11.008 5.691 1.441 1.00 0.00 N ATOM 539 CA CYS A 932 9.765 5.158 0.890 1.00 0.00 C ATOM 540 C CYS A 932 8.925 6.264 0.251 1.00 0.00 C ATOM 541 O CYS A 932 8.984 7.421 0.666 1.00 0.00 O ATOM 542 CB CYS A 932 8.970 4.444 1.985 1.00 0.00 C ATOM 543 SG CYS A 932 9.890 3.094 2.795 1.00 0.00 S ATOM 0 H CYS A 932 11.118 5.544 2.444 1.00 0.00 H new ATOM 0 HA CYS A 932 10.017 4.440 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 932 8.672 5.172 2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 932 8.055 4.040 1.553 1.00 0.00 H new ATOM 548 N ARG A 933 8.152 5.898 -0.768 1.00 0.00 N ATOM 549 CA ARG A 933 7.302 6.854 -1.480 1.00 0.00 C ATOM 550 C ARG A 933 5.974 7.049 -0.762 1.00 0.00 C ATOM 551 O ARG A 933 5.588 6.230 0.071 1.00 0.00 O ATOM 552 CB ARG A 933 7.024 6.361 -2.901 1.00 0.00 C ATOM 553 CG ARG A 933 8.250 5.863 -3.641 1.00 0.00 C ATOM 554 CD ARG A 933 7.887 5.388 -5.037 1.00 0.00 C ATOM 555 NE ARG A 933 7.528 6.496 -5.919 1.00 0.00 N ATOM 556 CZ ARG A 933 7.196 6.343 -7.198 1.00 0.00 C ATOM 557 NH1 ARG A 933 7.176 5.134 -7.742 1.00 0.00 N ATOM 558 NH2 ARG A 933 6.887 7.401 -7.934 1.00 0.00 N ATOM 0 H ARG A 933 8.095 4.943 -1.122 1.00 0.00 H new ATOM 0 HA ARG A 933 7.834 7.805 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 933 6.290 5.557 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 933 6.574 7.173 -3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 933 8.990 6.661 -3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 933 8.709 5.047 -3.083 1.00 0.00 H new ATOM 0 HD2 ARG A 933 8.729 4.843 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 933 7.053 4.689 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 933 7.532 7.440 -5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 933 7.416 4.318 -7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 933 6.921 5.020 -8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 933 6.904 8.333 -7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 933 6.632 7.283 -8.915 1.00 0.00 H new ATOM 572 N PRO A 934 5.243 8.136 -1.085 1.00 0.00 N ATOM 573 CA PRO A 934 3.948 8.411 -0.476 1.00 0.00 C ATOM 574 C PRO A 934 3.031 7.204 -0.580 1.00 0.00 C ATOM 575 O PRO A 934 3.104 6.445 -1.546 1.00 0.00 O ATOM 576 CB PRO A 934 3.382 9.585 -1.288 1.00 0.00 C ATOM 577 CG PRO A 934 4.267 9.704 -2.486 1.00 0.00 C ATOM 578 CD PRO A 934 5.605 9.162 -2.073 1.00 0.00 C ATOM 0 HA PRO A 934 4.035 8.640 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.349 9.398 -1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 934 3.387 10.505 -0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 934 3.862 9.141 -3.327 1.00 0.00 H new ATOM 0 HG3 PRO A 934 4.350 10.742 -2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 934 6.149 8.738 -2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.240 9.935 -1.641 1.00 0.00 H new ATOM 586 N GLU A 935 2.197 7.030 0.435 1.00 0.00 N ATOM 587 CA GLU A 935 1.265 5.908 0.506 1.00 0.00 C ATOM 588 C GLU A 935 1.973 4.678 1.058 1.00 0.00 C ATOM 589 O GLU A 935 1.574 3.545 0.799 1.00 0.00 O ATOM 590 CB GLU A 935 0.652 5.601 -0.862 1.00 0.00 C ATOM 591 CG GLU A 935 -0.142 6.757 -1.449 1.00 0.00 C ATOM 592 CD GLU A 935 -0.732 6.434 -2.808 1.00 0.00 C ATOM 593 OE1 GLU A 935 -0.511 5.307 -3.300 1.00 0.00 O ATOM 594 OE2 GLU A 935 -1.413 7.309 -3.382 1.00 0.00 O ATOM 0 H GLU A 935 2.145 7.662 1.234 1.00 0.00 H new ATOM 0 HA GLU A 935 0.452 6.186 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 935 1.449 5.330 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.000 4.733 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 935 -0.946 7.025 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.506 7.629 -1.537 1.00 0.00 H new ATOM 601 N TYR A 936 3.021 4.929 1.838 1.00 0.00 N ATOM 602 CA TYR A 936 3.805 3.873 2.468 1.00 0.00 C ATOM 603 C TYR A 936 4.260 4.322 3.852 1.00 0.00 C ATOM 604 O TYR A 936 4.589 5.492 4.051 1.00 0.00 O ATOM 605 CB TYR A 936 5.021 3.502 1.612 1.00 0.00 C ATOM 606 CG TYR A 936 4.664 2.903 0.272 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.305 3.709 -0.800 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.687 1.529 0.079 1.00 0.00 C ATOM 609 CE1 TYR A 936 3.976 3.164 -2.024 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.360 0.975 -1.141 1.00 0.00 C ATOM 611 CZ TYR A 936 4.003 1.796 -2.191 1.00 0.00 C ATOM 612 OH TYR A 936 3.677 1.248 -3.409 1.00 0.00 O ATOM 0 H TYR A 936 3.350 5.871 2.051 1.00 0.00 H new ATOM 0 HA TYR A 936 3.174 2.989 2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.626 4.394 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 936 5.639 2.793 2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.283 4.781 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.966 0.882 0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 936 3.699 3.806 -2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.383 -0.097 -1.274 1.00 0.00 H new ATOM 0 HH TYR A 936 3.747 0.272 -3.358 1.00 0.00 H new ATOM 622 N TYR A 937 4.270 3.400 4.807 1.00 0.00 N ATOM 623 CA TYR A 937 4.679 3.732 6.170 1.00 0.00 C ATOM 624 C TYR A 937 5.440 2.582 6.819 1.00 0.00 C ATOM 625 O TYR A 937 5.036 1.422 6.732 1.00 0.00 O ATOM 626 CB TYR A 937 3.455 4.107 7.017 1.00 0.00 C ATOM 627 CG TYR A 937 2.482 2.969 7.256 1.00 0.00 C ATOM 628 CD1 TYR A 937 2.703 2.035 8.263 1.00 0.00 C ATOM 629 CD2 TYR A 937 1.342 2.828 6.474 1.00 0.00 C ATOM 630 CE1 TYR A 937 1.819 0.996 8.482 1.00 0.00 C ATOM 631 CE2 TYR A 937 0.453 1.792 6.689 1.00 0.00 C ATOM 632 CZ TYR A 937 0.696 0.880 7.693 1.00 0.00 C ATOM 633 OH TYR A 937 -0.187 -0.153 7.908 1.00 0.00 O ATOM 0 H TYR A 937 4.003 2.426 4.667 1.00 0.00 H new ATOM 0 HA TYR A 937 5.351 4.589 6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 937 3.798 4.483 7.981 1.00 0.00 H new ATOM 0 HB3 TYR A 937 2.926 4.923 6.526 1.00 0.00 H new ATOM 0 HD1 TYR A 937 3.582 2.124 8.885 1.00 0.00 H new ATOM 0 HD2 TYR A 937 1.148 3.540 5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.007 0.279 9.267 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.429 1.698 6.073 1.00 0.00 H new ATOM 0 HH TYR A 937 -0.926 -0.090 7.267 1.00 0.00 H new ATOM 643 N GLY A 938 6.548 2.916 7.472 1.00 0.00 N ATOM 644 CA GLY A 938 7.356 1.912 8.135 1.00 0.00 C ATOM 645 C GLY A 938 8.796 2.346 8.298 1.00 0.00 C ATOM 646 O GLY A 938 9.702 1.513 8.340 1.00 0.00 O ATOM 0 H GLY A 938 6.901 3.869 7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.931 1.697 9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.321 0.985 7.562 1.00 0.00 H new ATOM 650 N ARG A 939 8.999 3.655 8.395 1.00 0.00 N ATOM 651 CA ARG A 939 10.336 4.222 8.560 1.00 0.00 C ATOM 652 C ARG A 939 11.228 3.926 7.360 1.00 0.00 C ATOM 653 O ARG A 939 11.155 2.851 6.764 1.00 0.00 O ATOM 654 CB ARG A 939 10.989 3.686 9.829 1.00 0.00 C ATOM 655 CG ARG A 939 10.298 4.142 11.098 1.00 0.00 C ATOM 656 CD ARG A 939 10.921 3.500 12.325 1.00 0.00 C ATOM 657 NE ARG A 939 10.258 3.913 13.558 1.00 0.00 N ATOM 658 CZ ARG A 939 10.618 3.492 14.766 1.00 0.00 C ATOM 659 NH1 ARG A 939 11.634 2.650 14.902 1.00 0.00 N ATOM 660 NH2 ARG A 939 9.964 3.913 15.839 1.00 0.00 N ATOM 0 H ARG A 939 8.252 4.348 8.362 1.00 0.00 H new ATOM 0 HA ARG A 939 10.222 5.303 8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.991 2.597 9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 939 12.031 4.006 9.856 1.00 0.00 H new ATOM 0 HG2 ARG A 939 10.362 5.227 11.180 1.00 0.00 H new ATOM 0 HG3 ARG A 939 9.239 3.888 11.050 1.00 0.00 H new ATOM 0 HD2 ARG A 939 10.869 2.415 12.232 1.00 0.00 H new ATOM 0 HD3 ARG A 939 11.977 3.765 12.376 1.00 0.00 H new ATOM 0 HE ARG A 939 9.474 4.562 13.489 1.00 0.00 H new ATOM 0 HH11 ARG A 939 12.140 2.325 14.079 1.00 0.00 H new ATOM 0 HH12 ARG A 939 11.909 2.328 15.830 1.00 0.00 H new ATOM 0 HH21 ARG A 939 9.183 4.561 15.738 1.00 0.00 H new ATOM 0 HH22 ARG A 939 10.242 3.589 16.765 1.00 0.00 H new ATOM 674 N PRO A 940 12.103 4.878 7.001 1.00 0.00 N ATOM 675 CA PRO A 940 13.029 4.713 5.881 1.00 0.00 C ATOM 676 C PRO A 940 14.034 3.607 6.172 1.00 0.00 C ATOM 677 O PRO A 940 14.713 3.632 7.198 1.00 0.00 O ATOM 678 CB PRO A 940 13.732 6.076 5.778 1.00 0.00 C ATOM 679 CG PRO A 940 12.901 7.013 6.594 1.00 0.00 C ATOM 680 CD PRO A 940 12.273 6.175 7.668 1.00 0.00 C ATOM 0 HA PRO A 940 12.526 4.429 4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 940 14.752 6.022 6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 940 13.796 6.408 4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 940 13.514 7.805 7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 940 12.141 7.496 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 940 12.912 6.098 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 940 11.321 6.588 8.000 1.00 0.00 H new ATOM 688 N PHE A 941 14.117 2.626 5.279 1.00 0.00 N ATOM 689 CA PHE A 941 15.034 1.510 5.475 1.00 0.00 C ATOM 690 C PHE A 941 16.398 1.789 4.860 1.00 0.00 C ATOM 691 O PHE A 941 16.706 2.924 4.491 1.00 0.00 O ATOM 692 CB PHE A 941 14.436 0.218 4.904 1.00 0.00 C ATOM 693 CG PHE A 941 14.091 0.283 3.441 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.082 0.383 2.478 1.00 0.00 C ATOM 695 CD2 PHE A 941 12.767 0.239 3.031 1.00 0.00 C ATOM 696 CE1 PHE A 941 14.761 0.438 1.136 1.00 0.00 C ATOM 697 CE2 PHE A 941 12.441 0.295 1.689 1.00 0.00 C ATOM 698 CZ PHE A 941 13.439 0.394 0.741 1.00 0.00 C ATOM 0 H PHE A 941 13.567 2.581 4.421 1.00 0.00 H new ATOM 0 HA PHE A 941 15.179 1.384 6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.144 -0.596 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.536 -0.030 5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 941 16.118 0.418 2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 941 11.982 0.160 3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 941 15.544 0.515 0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 941 11.406 0.261 1.382 1.00 0.00 H new ATOM 0 HZ PHE A 941 13.186 0.437 -0.308 1.00 0.00 H new ATOM 708 N SER A 942 17.205 0.739 4.749 1.00 0.00 N ATOM 709 CA SER A 942 18.545 0.845 4.183 1.00 0.00 C ATOM 710 C SER A 942 19.139 -0.541 3.961 1.00 0.00 C ATOM 711 O SER A 942 19.099 -1.396 4.845 1.00 0.00 O ATOM 712 CB SER A 942 19.465 1.642 5.115 1.00 0.00 C ATOM 713 OG SER A 942 18.990 2.960 5.313 1.00 0.00 O ATOM 0 H SER A 942 16.951 -0.203 5.047 1.00 0.00 H new ATOM 0 HA SER A 942 18.465 1.364 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 942 19.539 1.133 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 942 20.470 1.676 4.694 1.00 0.00 H new ATOM 0 HG SER A 942 18.152 3.083 4.820 1.00 0.00 H new ATOM 719 N ILE A 943 19.693 -0.751 2.774 1.00 0.00 N ATOM 720 CA ILE A 943 20.303 -2.027 2.428 1.00 0.00 C ATOM 721 C ILE A 943 21.800 -2.002 2.711 1.00 0.00 C ATOM 722 O ILE A 943 22.368 -0.948 2.992 1.00 0.00 O ATOM 723 CB ILE A 943 20.057 -2.382 0.951 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.457 -1.212 0.049 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.599 -2.756 0.736 1.00 0.00 C ATOM 726 CD1 ILE A 943 20.205 -1.469 -1.421 1.00 0.00 C ATOM 0 H ILE A 943 19.732 -0.051 2.033 1.00 0.00 H new ATOM 0 HA ILE A 943 19.836 -2.792 3.048 1.00 0.00 H new ATOM 0 HB ILE A 943 20.674 -3.241 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.905 -0.323 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.515 -0.996 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.438 -3.005 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.349 -3.617 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 943 17.963 -1.914 1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 943 20.512 -0.598 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 943 20.778 -2.339 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 943 19.143 -1.655 -1.581 1.00 0.00 H new ATOM 738 N THR A 944 22.434 -3.170 2.655 1.00 0.00 N ATOM 739 CA THR A 944 23.863 -3.270 2.929 1.00 0.00 C ATOM 740 C THR A 944 24.452 -4.573 2.407 1.00 0.00 C ATOM 741 O THR A 944 23.879 -5.642 2.599 1.00 0.00 O ATOM 742 CB THR A 944 24.139 -3.185 4.444 1.00 0.00 C ATOM 743 OG1 THR A 944 23.881 -1.860 4.922 1.00 0.00 O ATOM 744 CG2 THR A 944 25.574 -3.581 4.766 1.00 0.00 C ATOM 0 H THR A 944 21.983 -4.055 2.424 1.00 0.00 H new ATOM 0 HA THR A 944 24.336 -2.434 2.413 1.00 0.00 H new ATOM 0 HB THR A 944 23.470 -3.885 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 944 23.392 -1.355 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 944 25.738 -3.511 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 944 25.751 -4.605 4.438 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.261 -2.910 4.250 1.00 0.00 H new ATOM 752 N CYS A 945 25.618 -4.477 1.774 1.00 0.00 N ATOM 753 CA CYS A 945 26.304 -5.657 1.256 1.00 0.00 C ATOM 754 C CYS A 945 26.902 -6.427 2.419 1.00 0.00 C ATOM 755 O CYS A 945 27.607 -5.865 3.256 1.00 0.00 O ATOM 756 CB CYS A 945 27.386 -5.242 0.257 1.00 0.00 C ATOM 757 SG CYS A 945 28.174 -6.624 -0.631 1.00 0.00 S ATOM 0 H CYS A 945 26.106 -3.597 1.608 1.00 0.00 H new ATOM 0 HA CYS A 945 25.596 -6.298 0.731 1.00 0.00 H new ATOM 0 HB2 CYS A 945 26.946 -4.563 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 945 28.156 -4.683 0.788 1.00 0.00 H new ATOM 762 N LEU A 946 26.565 -7.699 2.497 1.00 0.00 N ATOM 763 CA LEU A 946 27.013 -8.536 3.596 1.00 0.00 C ATOM 764 C LEU A 946 28.388 -9.142 3.402 1.00 0.00 C ATOM 765 O LEU A 946 29.270 -8.962 4.243 1.00 0.00 O ATOM 766 CB LEU A 946 25.976 -9.618 3.850 1.00 0.00 C ATOM 767 CG LEU A 946 24.641 -9.070 4.322 1.00 0.00 C ATOM 768 CD1 LEU A 946 24.872 -8.084 5.454 1.00 0.00 C ATOM 769 CD2 LEU A 946 23.900 -8.428 3.175 1.00 0.00 C ATOM 0 H LEU A 946 25.981 -8.178 1.811 1.00 0.00 H new ATOM 0 HA LEU A 946 27.114 -7.887 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 946 25.824 -10.188 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 946 26.361 -10.312 4.597 1.00 0.00 H new ATOM 0 HG LEU A 946 24.023 -9.887 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 946 23.914 -7.690 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 946 25.370 -8.590 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 946 25.497 -7.264 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 946 22.945 -8.040 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 946 24.496 -7.610 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 946 23.723 -9.169 2.396 1.00 0.00 H new ATOM 781 N ASP A 947 28.560 -9.878 2.320 1.00 0.00 N ATOM 782 CA ASP A 947 29.828 -10.543 2.051 1.00 0.00 C ATOM 783 C ASP A 947 29.709 -11.485 0.863 1.00 0.00 C ATOM 784 O ASP A 947 30.629 -11.594 0.051 1.00 0.00 O ATOM 785 CB ASP A 947 30.256 -11.334 3.284 1.00 0.00 C ATOM 786 CG ASP A 947 31.503 -12.163 3.046 1.00 0.00 C ATOM 787 OD1 ASP A 947 32.554 -11.572 2.717 1.00 0.00 O ATOM 788 OD2 ASP A 947 31.429 -13.400 3.189 1.00 0.00 O ATOM 0 H ASP A 947 27.842 -10.032 1.613 1.00 0.00 H new ATOM 0 HA ASP A 947 30.573 -9.783 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 947 30.436 -10.644 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 947 29.441 -11.991 3.590 1.00 0.00 H new ATOM 793 N ASN A 948 28.570 -12.159 0.761 1.00 0.00 N ATOM 794 CA ASN A 948 28.337 -13.084 -0.337 1.00 0.00 C ATOM 795 C ASN A 948 27.863 -12.316 -1.560 1.00 0.00 C ATOM 796 O ASN A 948 27.085 -12.823 -2.370 1.00 0.00 O ATOM 797 CB ASN A 948 27.303 -14.139 0.061 1.00 0.00 C ATOM 798 CG ASN A 948 27.750 -14.966 1.250 1.00 0.00 C ATOM 799 OD1 ASN A 948 28.780 -15.640 1.201 1.00 0.00 O ATOM 800 ND2 ASN A 948 26.974 -14.920 2.327 1.00 0.00 N ATOM 0 H ASN A 948 27.798 -12.082 1.423 1.00 0.00 H new ATOM 0 HA ASN A 948 29.271 -13.594 -0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 948 26.359 -13.648 0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 948 27.115 -14.798 -0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 948 27.223 -15.457 3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 948 26.130 -14.348 2.323 1.00 0.00 H new ATOM 807 N LEU A 949 28.353 -11.085 -1.681 1.00 0.00 N ATOM 808 CA LEU A 949 28.007 -10.220 -2.797 1.00 0.00 C ATOM 809 C LEU A 949 26.499 -10.132 -2.963 1.00 0.00 C ATOM 810 O LEU A 949 25.976 -10.197 -4.076 1.00 0.00 O ATOM 811 CB LEU A 949 28.660 -10.744 -4.072 1.00 0.00 C ATOM 812 CG LEU A 949 30.134 -11.122 -3.910 1.00 0.00 C ATOM 813 CD1 LEU A 949 30.721 -11.579 -5.235 1.00 0.00 C ATOM 814 CD2 LEU A 949 30.923 -9.948 -3.352 1.00 0.00 C ATOM 0 H LEU A 949 28.997 -10.664 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 949 28.379 -9.216 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 949 28.108 -11.618 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 949 28.574 -9.985 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 949 30.201 -11.951 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 949 31.770 -11.843 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 949 30.172 -12.449 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 949 30.643 -10.773 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 949 31.970 -10.232 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 949 30.846 -9.101 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 949 30.519 -9.668 -2.379 1.00 0.00 H new ATOM 826 N VAL A 950 25.804 -9.989 -1.840 1.00 0.00 N ATOM 827 CA VAL A 950 24.353 -9.899 -1.848 1.00 0.00 C ATOM 828 C VAL A 950 23.828 -8.936 -0.807 1.00 0.00 C ATOM 829 O VAL A 950 24.448 -8.708 0.235 1.00 0.00 O ATOM 830 CB VAL A 950 23.700 -11.255 -1.585 1.00 0.00 C ATOM 831 CG1 VAL A 950 23.832 -12.153 -2.792 1.00 0.00 C ATOM 832 CG2 VAL A 950 24.300 -11.887 -0.346 1.00 0.00 C ATOM 0 H VAL A 950 26.225 -9.933 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 950 24.096 -9.539 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 950 22.635 -11.110 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 950 23.361 -13.114 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 950 23.344 -11.687 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 950 24.887 -12.308 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 950 23.829 -12.853 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 950 25.371 -12.027 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 950 24.132 -11.236 0.512 1.00 0.00 H new ATOM 842 N TRP A 951 22.650 -8.415 -1.092 1.00 0.00 N ATOM 843 CA TRP A 951 21.968 -7.511 -0.187 1.00 0.00 C ATOM 844 C TRP A 951 21.056 -8.317 0.731 1.00 0.00 C ATOM 845 O TRP A 951 20.294 -9.166 0.266 1.00 0.00 O ATOM 846 CB TRP A 951 21.165 -6.463 -0.967 1.00 0.00 C ATOM 847 CG TRP A 951 22.012 -5.677 -1.926 1.00 0.00 C ATOM 848 CD1 TRP A 951 22.300 -6.000 -3.223 1.00 0.00 C ATOM 849 CD2 TRP A 951 22.708 -4.453 -1.657 1.00 0.00 C ATOM 850 NE1 TRP A 951 23.115 -5.043 -3.781 1.00 0.00 N ATOM 851 CE2 TRP A 951 23.381 -4.085 -2.839 1.00 0.00 C ATOM 852 CE3 TRP A 951 22.822 -3.630 -0.534 1.00 0.00 C ATOM 853 CZ2 TRP A 951 24.155 -2.931 -2.926 1.00 0.00 C ATOM 854 CZ3 TRP A 951 23.592 -2.485 -0.622 1.00 0.00 C ATOM 855 CH2 TRP A 951 24.250 -2.144 -1.811 1.00 0.00 C ATOM 0 H TRP A 951 22.140 -8.606 -1.955 1.00 0.00 H new ATOM 0 HA TRP A 951 22.706 -6.980 0.414 1.00 0.00 H new ATOM 0 HB2 TRP A 951 20.366 -6.960 -1.518 1.00 0.00 H new ATOM 0 HB3 TRP A 951 20.690 -5.779 -0.264 1.00 0.00 H new ATOM 0 HD1 TRP A 951 21.939 -6.880 -3.735 1.00 0.00 H new ATOM 0 HE1 TRP A 951 23.464 -5.046 -4.739 1.00 0.00 H new ATOM 0 HE3 TRP A 951 22.318 -3.884 0.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 24.663 -2.666 -3.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 23.688 -1.842 0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 951 24.844 -1.243 -1.848 1.00 0.00 H new ATOM 866 N SER A 952 21.149 -8.059 2.027 1.00 0.00 N ATOM 867 CA SER A 952 20.338 -8.768 3.019 1.00 0.00 C ATOM 868 C SER A 952 18.862 -8.738 2.657 1.00 0.00 C ATOM 869 O SER A 952 18.042 -9.440 3.250 1.00 0.00 O ATOM 870 CB SER A 952 20.548 -8.166 4.408 1.00 0.00 C ATOM 871 OG SER A 952 19.781 -8.852 5.383 1.00 0.00 O ATOM 0 H SER A 952 21.780 -7.362 2.423 1.00 0.00 H new ATOM 0 HA SER A 952 20.662 -9.809 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 952 21.604 -8.214 4.672 1.00 0.00 H new ATOM 0 HB3 SER A 952 20.269 -7.112 4.397 1.00 0.00 H new ATOM 0 HG SER A 952 18.996 -9.255 4.957 1.00 0.00 H new ATOM 877 N SER A 953 18.555 -7.927 1.670 1.00 0.00 N ATOM 878 CA SER A 953 17.201 -7.767 1.164 1.00 0.00 C ATOM 879 C SER A 953 16.259 -7.226 2.233 1.00 0.00 C ATOM 880 O SER A 953 16.074 -7.837 3.285 1.00 0.00 O ATOM 881 CB SER A 953 16.673 -9.100 0.642 1.00 0.00 C ATOM 882 OG SER A 953 15.351 -8.970 0.148 1.00 0.00 O ATOM 0 H SER A 953 19.244 -7.351 1.187 1.00 0.00 H new ATOM 0 HA SER A 953 17.239 -7.043 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 953 17.325 -9.467 -0.150 1.00 0.00 H new ATOM 0 HB3 SER A 953 16.694 -9.841 1.441 1.00 0.00 H new ATOM 0 HG SER A 953 15.038 -9.838 -0.182 1.00 0.00 H new ATOM 888 N PRO A 954 15.632 -6.073 1.960 1.00 0.00 N ATOM 889 CA PRO A 954 14.684 -5.445 2.880 1.00 0.00 C ATOM 890 C PRO A 954 13.388 -6.243 2.947 1.00 0.00 C ATOM 891 O PRO A 954 12.930 -6.773 1.934 1.00 0.00 O ATOM 892 CB PRO A 954 14.443 -4.056 2.266 1.00 0.00 C ATOM 893 CG PRO A 954 15.476 -3.909 1.194 1.00 0.00 C ATOM 894 CD PRO A 954 15.778 -5.296 0.727 1.00 0.00 C ATOM 0 HA PRO A 954 15.057 -5.393 3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 954 13.437 -3.978 1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 954 14.542 -3.272 3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.105 -3.293 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 954 16.372 -3.422 1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 954 15.085 -5.626 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 954 16.782 -5.376 0.311 1.00 0.00 H new ATOM 902 N LYS A 955 12.807 -6.353 4.136 1.00 0.00 N ATOM 903 CA LYS A 955 11.578 -7.118 4.296 1.00 0.00 C ATOM 904 C LYS A 955 10.775 -6.628 5.498 1.00 0.00 C ATOM 905 O LYS A 955 11.322 -6.406 6.579 1.00 0.00 O ATOM 906 CB LYS A 955 11.922 -8.606 4.450 1.00 0.00 C ATOM 907 CG LYS A 955 10.764 -9.555 4.176 1.00 0.00 C ATOM 908 CD LYS A 955 9.710 -9.508 5.271 1.00 0.00 C ATOM 909 CE LYS A 955 8.561 -10.460 4.979 1.00 0.00 C ATOM 910 NZ LYS A 955 7.517 -10.412 6.040 1.00 0.00 N ATOM 0 H LYS A 955 13.162 -5.928 4.993 1.00 0.00 H new ATOM 0 HA LYS A 955 10.960 -6.978 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 955 12.741 -8.848 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 955 12.284 -8.779 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 955 10.305 -9.299 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 955 11.144 -10.572 4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 955 10.165 -9.767 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 955 9.327 -8.492 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 955 8.114 -10.206 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 955 8.945 -11.477 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 6.776 -11.111 5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 7.948 -10.630 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 7.097 -9.461 6.071 1.00 0.00 H new ATOM 924 N ASP A 956 9.469 -6.467 5.293 1.00 0.00 N ATOM 925 CA ASP A 956 8.564 -6.010 6.343 1.00 0.00 C ATOM 926 C ASP A 956 8.955 -4.621 6.840 1.00 0.00 C ATOM 927 O ASP A 956 8.908 -4.338 8.037 1.00 0.00 O ATOM 928 CB ASP A 956 8.552 -7.008 7.507 1.00 0.00 C ATOM 929 CG ASP A 956 7.536 -6.647 8.573 1.00 0.00 C ATOM 930 OD1 ASP A 956 6.332 -6.580 8.248 1.00 0.00 O ATOM 931 OD2 ASP A 956 7.945 -6.430 9.733 1.00 0.00 O ATOM 0 H ASP A 956 9.012 -6.649 4.400 1.00 0.00 H new ATOM 0 HA ASP A 956 7.561 -5.948 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 956 8.333 -8.005 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 956 9.545 -7.050 7.955 1.00 0.00 H new ATOM 936 N VAL A 957 9.328 -3.752 5.908 1.00 0.00 N ATOM 937 CA VAL A 957 9.707 -2.391 6.245 1.00 0.00 C ATOM 938 C VAL A 957 8.497 -1.463 6.223 1.00 0.00 C ATOM 939 O VAL A 957 7.617 -1.560 7.078 1.00 0.00 O ATOM 940 CB VAL A 957 10.811 -1.854 5.311 1.00 0.00 C ATOM 941 CG1 VAL A 957 12.178 -2.305 5.797 1.00 0.00 C ATOM 942 CG2 VAL A 957 10.567 -2.288 3.872 1.00 0.00 C ATOM 0 H VAL A 957 9.375 -3.969 4.912 1.00 0.00 H new ATOM 0 HA VAL A 957 10.110 -2.414 7.258 1.00 0.00 H new ATOM 0 HB VAL A 957 10.783 -0.765 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 957 12.947 -1.919 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 957 12.349 -1.926 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 957 12.219 -3.394 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 957 11.360 -1.896 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 957 10.561 -3.377 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 957 9.605 -1.902 3.534 1.00 0.00 H new ATOM 952 N CYS A 958 8.459 -0.560 5.251 1.00 0.00 N ATOM 953 CA CYS A 958 7.353 0.383 5.137 1.00 0.00 C ATOM 954 C CYS A 958 6.206 -0.188 4.309 1.00 0.00 C ATOM 955 O CYS A 958 6.268 -0.222 3.080 1.00 0.00 O ATOM 956 CB CYS A 958 7.833 1.705 4.532 1.00 0.00 C ATOM 957 SG CYS A 958 8.564 1.558 2.870 1.00 0.00 S ATOM 0 H CYS A 958 9.177 -0.461 4.534 1.00 0.00 H new ATOM 0 HA CYS A 958 6.978 0.568 6.144 1.00 0.00 H new ATOM 0 HB2 CYS A 958 6.990 2.395 4.484 1.00 0.00 H new ATOM 0 HB3 CYS A 958 8.570 2.149 5.201 1.00 0.00 H new ATOM 962 N LYS A 959 5.149 -0.616 4.994 1.00 0.00 N ATOM 963 CA LYS A 959 3.975 -1.162 4.327 1.00 0.00 C ATOM 964 C LYS A 959 3.077 -0.026 3.850 1.00 0.00 C ATOM 965 O LYS A 959 2.838 0.931 4.585 1.00 0.00 O ATOM 966 CB LYS A 959 3.206 -2.087 5.274 1.00 0.00 C ATOM 967 CG LYS A 959 4.021 -3.279 5.751 1.00 0.00 C ATOM 968 CD LYS A 959 4.433 -4.175 4.593 1.00 0.00 C ATOM 969 CE LYS A 959 5.261 -5.358 5.070 1.00 0.00 C ATOM 970 NZ LYS A 959 5.678 -6.236 3.941 1.00 0.00 N ATOM 0 H LYS A 959 5.083 -0.594 6.012 1.00 0.00 H new ATOM 0 HA LYS A 959 4.297 -1.745 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 959 2.875 -1.514 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 959 2.310 -2.448 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 959 4.910 -2.927 6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 959 3.437 -3.856 6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 959 3.543 -4.537 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 959 5.007 -3.596 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 959 6.146 -4.995 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 959 4.683 -5.940 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 6.240 -7.030 4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 4.834 -6.604 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 6.251 -5.688 3.268 1.00 0.00 H new ATOM 984 N ARG A 960 2.598 -0.121 2.614 1.00 0.00 N ATOM 985 CA ARG A 960 1.749 0.923 2.051 1.00 0.00 C ATOM 986 C ARG A 960 0.518 1.168 2.911 1.00 0.00 C ATOM 987 O ARG A 960 -0.055 0.236 3.476 1.00 0.00 O ATOM 988 CB ARG A 960 1.321 0.579 0.622 1.00 0.00 C ATOM 989 CG ARG A 960 0.344 -0.572 0.511 1.00 0.00 C ATOM 990 CD ARG A 960 -0.147 -0.719 -0.919 1.00 0.00 C ATOM 991 NE ARG A 960 -0.946 -1.927 -1.110 1.00 0.00 N ATOM 992 CZ ARG A 960 -1.493 -2.274 -2.271 1.00 0.00 C ATOM 993 NH1 ARG A 960 -1.331 -1.506 -3.341 1.00 0.00 N ATOM 994 NH2 ARG A 960 -2.204 -3.389 -2.363 1.00 0.00 N ATOM 0 H ARG A 960 2.781 -0.904 1.987 1.00 0.00 H new ATOM 0 HA ARG A 960 2.343 1.837 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 960 0.872 1.463 0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 960 2.210 0.340 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 960 0.824 -1.496 0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 960 -0.503 -0.403 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -0.742 0.154 -1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 960 0.709 -0.742 -1.594 1.00 0.00 H new ATOM 0 HE ARG A 960 -1.093 -2.539 -0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -0.786 -0.647 -3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 960 -1.752 -1.775 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 960 -2.332 -3.982 -1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 960 -2.623 -3.654 -3.254 1.00 0.00 H new ATOM 1008 N LYS A 961 0.113 2.434 2.993 1.00 0.00 N ATOM 1009 CA LYS A 961 -1.060 2.817 3.767 1.00 0.00 C ATOM 1010 C LYS A 961 -2.227 1.894 3.458 1.00 0.00 C ATOM 1011 O LYS A 961 -2.333 1.360 2.354 1.00 0.00 O ATOM 1012 CB LYS A 961 -1.459 4.263 3.467 1.00 0.00 C ATOM 1013 CG LYS A 961 -0.675 5.305 4.253 1.00 0.00 C ATOM 1014 CD LYS A 961 0.814 5.232 3.970 1.00 0.00 C ATOM 1015 CE LYS A 961 1.573 6.327 4.703 1.00 0.00 C ATOM 1016 NZ LYS A 961 1.357 6.263 6.175 1.00 0.00 N ATOM 0 H LYS A 961 0.583 3.212 2.530 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.806 2.732 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 961 -1.324 4.451 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -2.521 4.387 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -1.043 6.300 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -0.848 5.160 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 961 1.196 4.257 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 961 0.987 5.323 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 961 2.638 6.237 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 961 1.254 7.301 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 2.164 6.701 6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 0.485 6.773 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 1.272 5.270 6.470 1.00 0.00 H new ATOM 1030 N SER A 962 -3.097 1.708 4.436 1.00 0.00 N ATOM 1031 CA SER A 962 -4.252 0.847 4.263 1.00 0.00 C ATOM 1032 C SER A 962 -5.463 1.420 4.976 1.00 0.00 C ATOM 1033 O SER A 962 -5.413 1.721 6.169 1.00 0.00 O ATOM 1034 CB SER A 962 -3.954 -0.555 4.796 1.00 0.00 C ATOM 1035 OG SER A 962 -3.623 -0.518 6.173 1.00 0.00 O ATOM 0 H SER A 962 -3.025 2.141 5.356 1.00 0.00 H new ATOM 0 HA SER A 962 -4.471 0.785 3.197 1.00 0.00 H new ATOM 0 HB2 SER A 962 -4.822 -1.197 4.645 1.00 0.00 H new ATOM 0 HB3 SER A 962 -3.131 -0.994 4.233 1.00 0.00 H new ATOM 0 HG SER A 962 -4.048 0.260 6.591 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.555 1.553 4.239 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.788 2.074 4.797 1.00 0.00 C ATOM 1043 C CYS A 963 -8.494 0.972 5.573 1.00 0.00 C ATOM 1044 O CYS A 963 -8.536 -0.175 5.128 1.00 0.00 O ATOM 1045 CB CYS A 963 -8.698 2.599 3.683 1.00 0.00 C ATOM 1046 SG CYS A 963 -7.964 3.916 2.657 1.00 0.00 S ATOM 0 H CYS A 963 -6.610 1.306 3.251 1.00 0.00 H new ATOM 0 HA CYS A 963 -7.556 2.900 5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.976 1.766 3.037 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -9.617 2.976 4.131 1.00 0.00 H new ATOM 1051 N LYS A 964 -9.038 1.310 6.735 1.00 0.00 N ATOM 1052 CA LYS A 964 -9.723 0.327 7.551 1.00 0.00 C ATOM 1053 C LYS A 964 -10.958 -0.192 6.843 1.00 0.00 C ATOM 1054 O LYS A 964 -11.728 0.578 6.269 1.00 0.00 O ATOM 1055 CB LYS A 964 -10.111 0.929 8.897 1.00 0.00 C ATOM 1056 CG LYS A 964 -8.941 1.104 9.850 1.00 0.00 C ATOM 1057 CD LYS A 964 -8.256 -0.220 10.155 1.00 0.00 C ATOM 1058 CE LYS A 964 -9.202 -1.200 10.831 1.00 0.00 C ATOM 1059 NZ LYS A 964 -9.732 -0.666 12.115 1.00 0.00 N ATOM 0 H LYS A 964 -9.017 2.251 7.128 1.00 0.00 H new ATOM 0 HA LYS A 964 -9.041 -0.507 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -10.579 1.899 8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -10.859 0.291 9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -8.219 1.795 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -9.293 1.553 10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -7.880 -0.657 9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -7.394 -0.044 10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -10.032 -1.424 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -8.680 -2.139 11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -10.204 -1.430 12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -8.948 -0.288 12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -10.415 0.093 11.920 1.00 0.00 H new ATOM 1073 N THR A 965 -11.136 -1.506 6.884 1.00 0.00 N ATOM 1074 CA THR A 965 -12.274 -2.139 6.245 1.00 0.00 C ATOM 1075 C THR A 965 -13.566 -1.421 6.624 1.00 0.00 C ATOM 1076 O THR A 965 -13.969 -1.424 7.786 1.00 0.00 O ATOM 1077 CB THR A 965 -12.379 -3.618 6.649 1.00 0.00 C ATOM 1078 OG1 THR A 965 -11.165 -4.303 6.316 1.00 0.00 O ATOM 1079 CG2 THR A 965 -13.551 -4.295 5.952 1.00 0.00 C ATOM 0 H THR A 965 -10.503 -2.152 7.355 1.00 0.00 H new ATOM 0 HA THR A 965 -12.126 -2.076 5.167 1.00 0.00 H new ATOM 0 HB THR A 965 -12.543 -3.663 7.726 1.00 0.00 H new ATOM 0 HG1 THR A 965 -11.238 -5.245 6.578 1.00 0.00 H new ATOM 0 HG21 THR A 965 -13.601 -5.340 6.257 1.00 0.00 H new ATOM 0 HG22 THR A 965 -14.478 -3.792 6.228 1.00 0.00 H new ATOM 0 HG23 THR A 965 -13.414 -4.238 4.872 1.00 0.00 H new ATOM 1087 N PRO A 966 -14.229 -0.790 5.641 1.00 0.00 N ATOM 1088 CA PRO A 966 -15.477 -0.061 5.876 1.00 0.00 C ATOM 1089 C PRO A 966 -16.575 -0.968 6.415 1.00 0.00 C ATOM 1090 O PRO A 966 -16.770 -2.077 5.916 1.00 0.00 O ATOM 1091 CB PRO A 966 -15.857 0.472 4.489 1.00 0.00 C ATOM 1092 CG PRO A 966 -15.089 -0.368 3.527 1.00 0.00 C ATOM 1093 CD PRO A 966 -13.817 -0.734 4.230 1.00 0.00 C ATOM 0 HA PRO A 966 -15.355 0.723 6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -16.930 0.390 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -15.598 1.526 4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -15.652 -1.259 3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -14.884 0.179 2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -13.425 -1.691 3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -13.036 0.008 4.066 1.00 0.00 H new ATOM 1101 N PRO A 967 -17.313 -0.513 7.443 1.00 0.00 N ATOM 1102 CA PRO A 967 -18.393 -1.303 8.033 1.00 0.00 C ATOM 1103 C PRO A 967 -19.366 -1.791 6.970 1.00 0.00 C ATOM 1104 O PRO A 967 -20.011 -0.991 6.292 1.00 0.00 O ATOM 1105 CB PRO A 967 -19.079 -0.320 8.984 1.00 0.00 C ATOM 1106 CG PRO A 967 -18.026 0.676 9.325 1.00 0.00 C ATOM 1107 CD PRO A 967 -17.156 0.796 8.104 1.00 0.00 C ATOM 0 HA PRO A 967 -18.029 -2.200 8.533 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -19.936 0.157 8.509 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -19.449 -0.825 9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -18.468 1.638 9.585 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -17.445 0.349 10.187 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -17.479 1.613 7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -16.117 0.991 8.369 1.00 0.00 H new ATOM 1115 N ASP A 968 -19.460 -3.106 6.821 1.00 0.00 N ATOM 1116 CA ASP A 968 -20.347 -3.696 5.830 1.00 0.00 C ATOM 1117 C ASP A 968 -21.796 -3.297 6.092 1.00 0.00 C ATOM 1118 O ASP A 968 -22.317 -3.504 7.188 1.00 0.00 O ATOM 1119 CB ASP A 968 -20.207 -5.219 5.836 1.00 0.00 C ATOM 1120 CG ASP A 968 -18.789 -5.671 5.540 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -17.877 -5.302 6.308 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -18.593 -6.394 4.542 1.00 0.00 O ATOM 0 H ASP A 968 -18.933 -3.783 7.373 1.00 0.00 H new ATOM 0 HA ASP A 968 -20.062 -3.319 4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -20.513 -5.605 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -20.884 -5.646 5.096 1.00 0.00 H new ATOM 1127 N PRO A 969 -22.469 -2.716 5.083 1.00 0.00 N ATOM 1128 CA PRO A 969 -23.866 -2.288 5.206 1.00 0.00 C ATOM 1129 C PRO A 969 -24.794 -3.450 5.509 1.00 0.00 C ATOM 1130 O PRO A 969 -24.586 -4.566 5.031 1.00 0.00 O ATOM 1131 CB PRO A 969 -24.189 -1.682 3.835 1.00 0.00 C ATOM 1132 CG PRO A 969 -23.160 -2.239 2.912 1.00 0.00 C ATOM 1133 CD PRO A 969 -21.925 -2.435 3.742 1.00 0.00 C ATOM 0 HA PRO A 969 -24.004 -1.587 6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -25.195 -1.951 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -24.144 -0.593 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -23.493 -3.182 2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -22.969 -1.558 2.083 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -21.317 -3.260 3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -21.293 -1.547 3.741 1.00 0.00 H new ATOM 1141 N VAL A 970 -25.813 -3.178 6.312 1.00 0.00 N ATOM 1142 CA VAL A 970 -26.779 -4.183 6.694 1.00 0.00 C ATOM 1143 C VAL A 970 -27.243 -4.982 5.482 1.00 0.00 C ATOM 1144 O VAL A 970 -27.629 -4.411 4.463 1.00 0.00 O ATOM 1145 CB VAL A 970 -27.992 -3.527 7.366 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -28.903 -4.583 7.942 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -27.544 -2.549 8.442 1.00 0.00 C ATOM 0 H VAL A 970 -25.988 -2.256 6.713 1.00 0.00 H new ATOM 0 HA VAL A 970 -26.296 -4.861 7.398 1.00 0.00 H new ATOM 0 HB VAL A 970 -28.548 -2.967 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -29.760 -4.105 8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -29.249 -5.239 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -28.358 -5.169 8.683 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -28.419 -2.094 8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -26.966 -3.080 9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -26.926 -1.772 7.993 1.00 0.00 H new ATOM 1157 N ASN A 971 -27.190 -6.306 5.596 1.00 0.00 N ATOM 1158 CA ASN A 971 -27.592 -7.187 4.506 1.00 0.00 C ATOM 1159 C ASN A 971 -26.711 -6.967 3.279 1.00 0.00 C ATOM 1160 O ASN A 971 -27.205 -6.866 2.156 1.00 0.00 O ATOM 1161 CB ASN A 971 -29.063 -6.960 4.145 1.00 0.00 C ATOM 1162 CG ASN A 971 -29.994 -7.238 5.309 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -30.027 -8.347 5.842 1.00 0.00 O ATOM 1164 ND2 ASN A 971 -30.758 -6.228 5.710 1.00 0.00 N ATOM 0 H ASN A 971 -26.872 -6.792 6.434 1.00 0.00 H new ATOM 0 HA ASN A 971 -27.468 -8.217 4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -29.198 -5.931 3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -29.332 -7.603 3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -31.404 -6.355 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -30.698 -5.325 5.239 1.00 0.00 H new ATOM 1171 N GLY A 972 -25.401 -6.894 3.504 1.00 0.00 N ATOM 1172 CA GLY A 972 -24.469 -6.689 2.409 1.00 0.00 C ATOM 1173 C GLY A 972 -23.023 -6.878 2.831 1.00 0.00 C ATOM 1174 O GLY A 972 -22.751 -7.469 3.876 1.00 0.00 O ATOM 0 H GLY A 972 -24.969 -6.973 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -24.702 -7.385 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -24.599 -5.683 2.010 1.00 0.00 H new ATOM 1178 N MET A 973 -22.096 -6.378 2.013 1.00 0.00 N ATOM 1179 CA MET A 973 -20.668 -6.499 2.299 1.00 0.00 C ATOM 1180 C MET A 973 -19.832 -5.871 1.186 1.00 0.00 C ATOM 1181 O MET A 973 -20.220 -5.899 0.017 1.00 0.00 O ATOM 1182 CB MET A 973 -20.272 -7.972 2.466 1.00 0.00 C ATOM 1183 CG MET A 973 -20.449 -8.811 1.208 1.00 0.00 C ATOM 1184 SD MET A 973 -22.175 -8.974 0.706 1.00 0.00 S ATOM 1185 CE MET A 973 -22.013 -9.987 -0.762 1.00 0.00 C ATOM 0 H MET A 973 -22.310 -5.885 1.146 1.00 0.00 H new ATOM 0 HA MET A 973 -20.472 -5.967 3.230 1.00 0.00 H new ATOM 0 HB2 MET A 973 -19.229 -8.023 2.780 1.00 0.00 H new ATOM 0 HB3 MET A 973 -20.868 -8.408 3.267 1.00 0.00 H new ATOM 0 HG2 MET A 973 -19.881 -8.360 0.394 1.00 0.00 H new ATOM 0 HG3 MET A 973 -20.030 -9.803 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 973 -23.000 -10.173 -1.186 1.00 0.00 H new ATOM 0 HE2 MET A 973 -21.395 -9.469 -1.495 1.00 0.00 H new ATOM 0 HE3 MET A 973 -21.546 -10.936 -0.499 1.00 0.00 H new ATOM 1195 N VAL A 974 -18.679 -5.311 1.554 1.00 0.00 N ATOM 1196 CA VAL A 974 -17.795 -4.689 0.575 1.00 0.00 C ATOM 1197 C VAL A 974 -16.787 -5.693 0.042 1.00 0.00 C ATOM 1198 O VAL A 974 -15.795 -6.023 0.692 1.00 0.00 O ATOM 1199 CB VAL A 974 -17.046 -3.466 1.157 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -16.185 -3.857 2.353 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -16.195 -2.808 0.082 1.00 0.00 C ATOM 0 H VAL A 974 -18.340 -5.277 2.515 1.00 0.00 H new ATOM 0 HA VAL A 974 -18.429 -4.341 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 974 -17.792 -2.751 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -15.673 -2.975 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -16.817 -4.278 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -15.448 -4.598 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -15.674 -1.949 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -15.466 -3.525 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -16.834 -2.477 -0.736 1.00 0.00 H new ATOM 1211 N HIS A 975 -17.053 -6.164 -1.161 1.00 0.00 N ATOM 1212 CA HIS A 975 -16.184 -7.117 -1.819 1.00 0.00 C ATOM 1213 C HIS A 975 -14.858 -6.461 -2.181 1.00 0.00 C ATOM 1214 O HIS A 975 -14.792 -5.644 -3.101 1.00 0.00 O ATOM 1215 CB HIS A 975 -16.873 -7.642 -3.076 1.00 0.00 C ATOM 1216 CG HIS A 975 -15.938 -8.158 -4.114 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -15.252 -9.348 -4.008 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -15.568 -7.607 -5.284 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -14.495 -9.508 -5.081 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -14.670 -8.464 -5.873 1.00 0.00 N ATOM 0 H HIS A 975 -17.873 -5.898 -1.706 1.00 0.00 H new ATOM 0 HA HIS A 975 -15.982 -7.948 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -17.561 -8.439 -2.794 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -17.473 -6.842 -3.509 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -15.913 -6.666 -5.686 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -13.845 -10.348 -5.277 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -14.213 -8.319 -6.773 1.00 0.00 H new ATOM 1229 N VAL A 976 -13.803 -6.824 -1.466 1.00 0.00 N ATOM 1230 CA VAL A 976 -12.495 -6.274 -1.736 1.00 0.00 C ATOM 1231 C VAL A 976 -11.957 -6.837 -3.044 1.00 0.00 C ATOM 1232 O VAL A 976 -12.036 -8.041 -3.289 1.00 0.00 O ATOM 1233 CB VAL A 976 -11.514 -6.574 -0.594 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -11.958 -5.889 0.691 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -11.385 -8.068 -0.398 1.00 0.00 C ATOM 0 H VAL A 976 -13.833 -7.495 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 976 -12.594 -5.192 -1.818 1.00 0.00 H new ATOM 0 HB VAL A 976 -10.534 -6.177 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -11.249 -6.115 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -11.996 -4.811 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -12.947 -6.250 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -10.687 -8.269 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -12.360 -8.488 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -11.015 -8.525 -1.316 1.00 0.00 H new ATOM 1245 N ILE A 977 -11.423 -5.967 -3.888 1.00 0.00 N ATOM 1246 CA ILE A 977 -10.891 -6.396 -5.172 1.00 0.00 C ATOM 1247 C ILE A 977 -9.563 -7.114 -4.979 1.00 0.00 C ATOM 1248 O ILE A 977 -9.258 -8.083 -5.673 1.00 0.00 O ATOM 1249 CB ILE A 977 -10.698 -5.205 -6.129 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -11.997 -4.401 -6.256 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -10.241 -5.700 -7.488 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -13.180 -5.212 -6.741 1.00 0.00 C ATOM 0 H ILE A 977 -11.347 -4.966 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 977 -11.615 -7.079 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 977 -9.931 -4.548 -5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -12.240 -3.968 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -11.833 -3.571 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -10.107 -4.851 -8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -9.295 -6.232 -7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -10.992 -6.374 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -14.059 -4.571 -6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -12.960 -5.623 -7.726 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -13.374 -6.026 -6.043 1.00 0.00 H new ATOM 1264 N THR A 978 -8.789 -6.635 -4.015 1.00 0.00 N ATOM 1265 CA THR A 978 -7.498 -7.225 -3.694 1.00 0.00 C ATOM 1266 C THR A 978 -7.250 -7.143 -2.195 1.00 0.00 C ATOM 1267 O THR A 978 -6.901 -8.134 -1.553 1.00 0.00 O ATOM 1268 CB THR A 978 -6.346 -6.520 -4.437 1.00 0.00 C ATOM 1269 OG1 THR A 978 -6.322 -5.129 -4.097 1.00 0.00 O ATOM 1270 CG2 THR A 978 -6.495 -6.674 -5.944 1.00 0.00 C ATOM 0 H THR A 978 -9.037 -5.832 -3.437 1.00 0.00 H new ATOM 0 HA THR A 978 -7.524 -8.266 -4.015 1.00 0.00 H new ATOM 0 HB THR A 978 -5.410 -6.987 -4.131 1.00 0.00 H new ATOM 0 HG1 THR A 978 -5.586 -4.689 -4.572 1.00 0.00 H new ATOM 0 HG21 THR A 978 -5.670 -6.168 -6.445 1.00 0.00 H new ATOM 0 HG22 THR A 978 -6.483 -7.732 -6.205 1.00 0.00 H new ATOM 0 HG23 THR A 978 -7.439 -6.232 -6.263 1.00 0.00 H new ATOM 1278 N ASP A 979 -7.445 -5.950 -1.644 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.259 -5.718 -0.219 1.00 0.00 C ATOM 1280 C ASP A 979 -7.975 -4.430 0.195 1.00 0.00 C ATOM 1281 O ASP A 979 -9.149 -4.242 -0.124 1.00 0.00 O ATOM 1282 CB ASP A 979 -5.765 -5.651 0.101 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.483 -5.588 1.590 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -5.904 -6.515 2.314 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -4.836 -4.615 2.031 1.00 0.00 O ATOM 0 H ASP A 979 -7.734 -5.124 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 979 -7.692 -6.542 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -5.269 -6.525 -0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -5.334 -4.775 -0.383 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.266 -3.537 0.883 1.00 0.00 N ATOM 1291 CA ILE A 980 -7.841 -2.266 1.307 1.00 0.00 C ATOM 1292 C ILE A 980 -6.766 -1.191 1.407 1.00 0.00 C ATOM 1293 O ILE A 980 -7.022 -0.082 1.875 1.00 0.00 O ATOM 1294 CB ILE A 980 -8.585 -2.377 2.652 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -7.749 -3.145 3.678 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -9.942 -3.040 2.455 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -8.465 -3.361 4.996 1.00 0.00 C ATOM 0 H ILE A 980 -6.293 -3.672 1.158 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.568 -1.986 0.544 1.00 0.00 H new ATOM 0 HB ILE A 980 -8.746 -1.370 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -7.473 -4.113 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -6.822 -2.601 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -10.455 -3.111 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -10.541 -2.445 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -9.802 -4.040 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -7.816 -3.911 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -8.717 -2.396 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -9.378 -3.931 4.825 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.570 -1.519 0.928 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.460 -0.576 0.920 1.00 0.00 C ATOM 1311 C GLN A 981 -4.669 0.435 -0.196 1.00 0.00 C ATOM 1312 O GLN A 981 -5.449 0.190 -1.117 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.126 -1.310 0.723 1.00 0.00 C ATOM 1314 CG GLN A 981 -2.453 -1.730 2.022 1.00 0.00 C ATOM 1315 CD GLN A 981 -1.462 -2.864 1.839 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -1.781 -3.892 1.241 1.00 0.00 O ATOM 1317 NE2 GLN A 981 -0.261 -2.693 2.378 1.00 0.00 N ATOM 0 H GLN A 981 -5.346 -2.435 0.539 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.426 -0.060 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.297 -2.196 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.447 -0.665 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -1.938 -0.871 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -3.216 -2.035 2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -0.039 -1.824 2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 981 0.440 -3.430 2.305 1.00 0.00 H new ATOM 1326 N VAL A 982 -3.986 1.569 -0.117 1.00 0.00 N ATOM 1327 CA VAL A 982 -4.118 2.597 -1.130 1.00 0.00 C ATOM 1328 C VAL A 982 -3.969 1.993 -2.522 1.00 0.00 C ATOM 1329 O VAL A 982 -3.274 0.993 -2.702 1.00 0.00 O ATOM 1330 CB VAL A 982 -3.073 3.701 -0.932 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -3.107 4.213 0.500 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -1.690 3.200 -1.305 1.00 0.00 C ATOM 0 H VAL A 982 -3.338 1.796 0.637 1.00 0.00 H new ATOM 0 HA VAL A 982 -5.111 3.036 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 982 -3.315 4.534 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -2.359 4.996 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -4.095 4.617 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -2.891 3.393 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -0.962 3.998 -1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -1.429 2.350 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -1.684 2.892 -2.351 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.640 2.589 -3.496 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.583 2.076 -4.849 1.00 0.00 C ATOM 1344 C GLY A 983 -5.559 0.934 -5.065 1.00 0.00 C ATOM 1345 O GLY A 983 -6.097 0.768 -6.161 1.00 0.00 O ATOM 0 H GLY A 983 -5.222 3.418 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -4.804 2.880 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -3.571 1.734 -5.065 1.00 0.00 H new ATOM 1349 N SER A 984 -5.791 0.142 -4.018 1.00 0.00 N ATOM 1350 CA SER A 984 -6.708 -0.987 -4.099 1.00 0.00 C ATOM 1351 C SER A 984 -8.159 -0.516 -4.075 1.00 0.00 C ATOM 1352 O SER A 984 -8.552 0.295 -3.235 1.00 0.00 O ATOM 1353 CB SER A 984 -6.457 -1.962 -2.947 1.00 0.00 C ATOM 1354 OG SER A 984 -5.132 -2.461 -2.981 1.00 0.00 O ATOM 0 H SER A 984 -5.354 0.265 -3.104 1.00 0.00 H new ATOM 0 HA SER A 984 -6.527 -1.499 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 984 -6.636 -1.460 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.163 -2.791 -3.007 1.00 0.00 H new ATOM 0 HG SER A 984 -4.996 -3.081 -2.234 1.00 0.00 H new ATOM 1360 N ARG A 985 -8.945 -1.035 -5.010 1.00 0.00 N ATOM 1361 CA ARG A 985 -10.357 -0.685 -5.123 1.00 0.00 C ATOM 1362 C ARG A 985 -11.233 -1.674 -4.356 1.00 0.00 C ATOM 1363 O ARG A 985 -10.846 -2.822 -4.141 1.00 0.00 O ATOM 1364 CB ARG A 985 -10.763 -0.657 -6.600 1.00 0.00 C ATOM 1365 CG ARG A 985 -12.243 -0.397 -6.833 1.00 0.00 C ATOM 1366 CD ARG A 985 -12.576 -0.390 -8.317 1.00 0.00 C ATOM 1367 NE ARG A 985 -14.008 -0.236 -8.557 1.00 0.00 N ATOM 1368 CZ ARG A 985 -14.548 -0.163 -9.770 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -13.777 -0.220 -10.848 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -15.860 -0.031 -9.906 1.00 0.00 N ATOM 0 H ARG A 985 -8.625 -1.707 -5.708 1.00 0.00 H new ATOM 0 HA ARG A 985 -10.504 0.303 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -10.185 0.114 -7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -10.496 -1.610 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -12.833 -1.163 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -12.520 0.560 -6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -12.037 0.422 -8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -12.231 -1.319 -8.770 1.00 0.00 H new ATOM 0 HE ARG A 985 -14.629 -0.181 -7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -12.767 -0.320 -10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -14.194 -0.164 -11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -16.456 0.015 -9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -16.273 0.025 -10.837 1.00 0.00 H new ATOM 1384 N ILE A 986 -12.422 -1.224 -3.962 1.00 0.00 N ATOM 1385 CA ILE A 986 -13.366 -2.073 -3.242 1.00 0.00 C ATOM 1386 C ILE A 986 -14.791 -1.787 -3.703 1.00 0.00 C ATOM 1387 O ILE A 986 -15.258 -0.648 -3.652 1.00 0.00 O ATOM 1388 CB ILE A 986 -13.285 -1.883 -1.712 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -13.689 -0.461 -1.313 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -11.882 -2.199 -1.213 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -13.870 -0.275 0.177 1.00 0.00 C ATOM 0 H ILE A 986 -12.754 -0.274 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 986 -13.094 -3.104 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 986 -13.986 -2.575 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -12.929 0.236 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -14.620 -0.202 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -11.840 -2.061 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -11.633 -3.232 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -11.166 -1.531 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.156 0.757 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -14.651 -0.946 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -12.934 -0.501 0.688 1.00 0.00 H new ATOM 1403 N THR A 987 -15.477 -2.825 -4.158 1.00 0.00 N ATOM 1404 CA THR A 987 -16.847 -2.680 -4.628 1.00 0.00 C ATOM 1405 C THR A 987 -17.837 -3.289 -3.651 1.00 0.00 C ATOM 1406 O THR A 987 -17.620 -4.382 -3.131 1.00 0.00 O ATOM 1407 CB THR A 987 -17.049 -3.318 -6.012 1.00 0.00 C ATOM 1408 OG1 THR A 987 -16.390 -4.589 -6.072 1.00 0.00 O ATOM 1409 CG2 THR A 987 -16.523 -2.401 -7.100 1.00 0.00 C ATOM 0 H THR A 987 -15.109 -3.775 -4.212 1.00 0.00 H new ATOM 0 HA THR A 987 -17.032 -1.609 -4.705 1.00 0.00 H new ATOM 0 HB THR A 987 -18.116 -3.469 -6.173 1.00 0.00 H new ATOM 0 HG1 THR A 987 -16.986 -5.247 -6.487 1.00 0.00 H new ATOM 0 HG21 THR A 987 -16.674 -2.868 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 987 -17.058 -1.452 -7.066 1.00 0.00 H new ATOM 0 HG23 THR A 987 -15.459 -2.224 -6.943 1.00 0.00 H new ATOM 1417 N TYR A 988 -18.927 -2.576 -3.415 1.00 0.00 N ATOM 1418 CA TYR A 988 -19.961 -3.051 -2.504 1.00 0.00 C ATOM 1419 C TYR A 988 -21.049 -3.787 -3.273 1.00 0.00 C ATOM 1420 O TYR A 988 -21.356 -3.440 -4.413 1.00 0.00 O ATOM 1421 CB TYR A 988 -20.577 -1.889 -1.720 1.00 0.00 C ATOM 1422 CG TYR A 988 -19.604 -1.160 -0.818 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.518 -0.470 -1.341 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -19.786 -1.148 0.560 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.639 0.208 -0.519 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -18.913 -0.469 1.388 1.00 0.00 C ATOM 1427 CZ TYR A 988 -17.841 0.207 0.844 1.00 0.00 C ATOM 1428 OH TYR A 988 -16.973 0.886 1.662 1.00 0.00 O ATOM 0 H TYR A 988 -19.120 -1.669 -3.839 1.00 0.00 H new ATOM 0 HA TYR A 988 -19.495 -3.738 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.004 -1.176 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -21.399 -2.270 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.358 -0.463 -2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -20.623 -1.678 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.798 0.736 -0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -19.069 -0.468 2.457 1.00 0.00 H new ATOM 0 HH TYR A 988 -17.194 1.841 1.653 1.00 0.00 H new ATOM 1438 N SER A 989 -21.632 -4.802 -2.645 1.00 0.00 N ATOM 1439 CA SER A 989 -22.687 -5.578 -3.284 1.00 0.00 C ATOM 1440 C SER A 989 -23.681 -6.100 -2.254 1.00 0.00 C ATOM 1441 O SER A 989 -23.366 -6.988 -1.461 1.00 0.00 O ATOM 1442 CB SER A 989 -22.085 -6.748 -4.067 1.00 0.00 C ATOM 1443 OG SER A 989 -21.189 -6.287 -5.063 1.00 0.00 O ATOM 0 H SER A 989 -21.394 -5.105 -1.701 1.00 0.00 H new ATOM 0 HA SER A 989 -23.218 -4.922 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 989 -21.561 -7.416 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 989 -22.883 -7.328 -4.531 1.00 0.00 H new ATOM 0 HG SER A 989 -20.817 -7.053 -5.548 1.00 0.00 H new ATOM 1449 N CYS A 990 -24.885 -5.540 -2.281 1.00 0.00 N ATOM 1450 CA CYS A 990 -25.941 -5.940 -1.361 1.00 0.00 C ATOM 1451 C CYS A 990 -26.611 -7.224 -1.831 1.00 0.00 C ATOM 1452 O CYS A 990 -26.721 -7.473 -3.033 1.00 0.00 O ATOM 1453 CB CYS A 990 -26.985 -4.829 -1.234 1.00 0.00 C ATOM 1454 SG CYS A 990 -26.320 -3.241 -0.635 1.00 0.00 S ATOM 0 H CYS A 990 -25.154 -4.804 -2.934 1.00 0.00 H new ATOM 0 HA CYS A 990 -25.489 -6.119 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -27.451 -4.671 -2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -27.770 -5.160 -0.555 1.00 0.00 H new ATOM 1459 N THR A 991 -27.065 -8.033 -0.882 1.00 0.00 N ATOM 1460 CA THR A 991 -27.733 -9.286 -1.208 1.00 0.00 C ATOM 1461 C THR A 991 -29.036 -9.018 -1.953 1.00 0.00 C ATOM 1462 O THR A 991 -29.699 -8.009 -1.710 1.00 0.00 O ATOM 1463 CB THR A 991 -28.029 -10.115 0.056 1.00 0.00 C ATOM 1464 OG1 THR A 991 -28.750 -11.304 -0.294 1.00 0.00 O ATOM 1465 CG2 THR A 991 -28.833 -9.304 1.060 1.00 0.00 C ATOM 0 H THR A 991 -26.983 -7.844 0.117 1.00 0.00 H new ATOM 0 HA THR A 991 -27.058 -9.857 -1.846 1.00 0.00 H new ATOM 0 HB THR A 991 -27.079 -10.389 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 991 -28.933 -11.826 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 991 -29.030 -9.911 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 991 -28.268 -8.417 1.347 1.00 0.00 H new ATOM 0 HG23 THR A 991 -29.779 -9.002 0.610 1.00 0.00 H new ATOM 1473 N THR A 992 -29.385 -9.915 -2.872 1.00 0.00 N ATOM 1474 CA THR A 992 -30.600 -9.766 -3.668 1.00 0.00 C ATOM 1475 C THR A 992 -31.784 -9.336 -2.806 1.00 0.00 C ATOM 1476 O THR A 992 -32.129 -10.000 -1.829 1.00 0.00 O ATOM 1477 CB THR A 992 -30.958 -11.077 -4.394 1.00 0.00 C ATOM 1478 OG1 THR A 992 -29.875 -11.479 -5.242 1.00 0.00 O ATOM 1479 CG2 THR A 992 -32.222 -10.910 -5.227 1.00 0.00 C ATOM 0 H THR A 992 -28.843 -10.753 -3.084 1.00 0.00 H new ATOM 0 HA THR A 992 -30.397 -8.990 -4.406 1.00 0.00 H new ATOM 0 HB THR A 992 -31.136 -11.844 -3.641 1.00 0.00 H new ATOM 0 HG1 THR A 992 -30.110 -12.314 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 992 -32.453 -11.849 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 992 -33.052 -10.632 -4.577 1.00 0.00 H new ATOM 0 HG23 THR A 992 -32.067 -10.129 -5.971 1.00 0.00 H new ATOM 1487 N GLY A 993 -32.398 -8.218 -3.182 1.00 0.00 N ATOM 1488 CA GLY A 993 -33.536 -7.707 -2.442 1.00 0.00 C ATOM 1489 C GLY A 993 -33.441 -6.213 -2.198 1.00 0.00 C ATOM 1490 O GLY A 993 -34.380 -5.469 -2.484 1.00 0.00 O ATOM 0 H GLY A 993 -32.126 -7.656 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -34.452 -7.925 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -33.607 -8.225 -1.486 1.00 0.00 H new ATOM 1494 N HIS A 994 -32.303 -5.776 -1.667 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.078 -4.367 -1.379 1.00 0.00 C ATOM 1496 C HIS A 994 -31.184 -3.730 -2.439 1.00 0.00 C ATOM 1497 O HIS A 994 -30.225 -4.343 -2.907 1.00 0.00 O ATOM 1498 CB HIS A 994 -31.435 -4.213 0.001 1.00 0.00 C ATOM 1499 CG HIS A 994 -32.204 -4.881 1.099 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -32.497 -6.228 1.099 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -32.734 -4.383 2.241 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -33.177 -6.530 2.191 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -33.332 -5.429 2.901 1.00 0.00 N ATOM 0 H HIS A 994 -31.519 -6.383 -1.427 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.042 -3.858 -1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -30.427 -4.627 -0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.337 -3.152 0.231 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -32.694 -3.356 2.571 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -33.543 -7.511 2.457 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -33.818 -5.365 3.796 1.00 0.00 H new ATOM 1512 N ARG A 995 -31.500 -2.492 -2.806 1.00 0.00 N ATOM 1513 CA ARG A 995 -30.723 -1.766 -3.801 1.00 0.00 C ATOM 1514 C ARG A 995 -29.639 -0.935 -3.124 1.00 0.00 C ATOM 1515 O ARG A 995 -29.832 -0.437 -2.016 1.00 0.00 O ATOM 1516 CB ARG A 995 -31.630 -0.854 -4.629 1.00 0.00 C ATOM 1517 CG ARG A 995 -32.366 0.185 -3.800 1.00 0.00 C ATOM 1518 CD ARG A 995 -33.160 1.141 -4.674 1.00 0.00 C ATOM 1519 NE ARG A 995 -32.299 1.899 -5.578 1.00 0.00 N ATOM 1520 CZ ARG A 995 -32.748 2.819 -6.427 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -34.044 3.092 -6.490 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -31.900 3.466 -7.215 1.00 0.00 N ATOM 0 H ARG A 995 -32.291 -1.971 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 995 -30.253 -2.493 -4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -31.029 -0.346 -5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -32.359 -1.466 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -33.039 -0.315 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -31.649 0.748 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -33.891 0.579 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -33.719 1.831 -4.042 1.00 0.00 H new ATOM 0 HE ARG A 995 -31.296 1.712 -5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -34.700 2.596 -5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -34.385 3.798 -7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -30.902 3.258 -7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -32.245 4.171 -7.866 1.00 0.00 H new ATOM 1536 N LEU A 996 -28.497 -0.799 -3.791 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.381 -0.032 -3.250 1.00 0.00 C ATOM 1538 C LEU A 996 -27.684 1.466 -3.277 1.00 0.00 C ATOM 1539 O LEU A 996 -28.134 1.999 -4.293 1.00 0.00 O ATOM 1540 CB LEU A 996 -26.104 -0.336 -4.041 1.00 0.00 C ATOM 1541 CG LEU A 996 -24.819 0.272 -3.482 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -23.609 -0.529 -3.933 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -24.698 1.718 -3.912 1.00 0.00 C ATOM 0 H LEU A 996 -28.320 -1.210 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.231 -0.326 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -25.980 -1.418 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -26.238 0.019 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 996 -24.859 0.237 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -22.703 -0.081 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -23.698 -1.555 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -23.556 -0.527 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -23.779 2.142 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -24.676 1.773 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -25.553 2.282 -3.538 1.00 0.00 H new ATOM 1555 N ILE A 997 -27.426 2.139 -2.159 1.00 0.00 N ATOM 1556 CA ILE A 997 -27.659 3.576 -2.052 1.00 0.00 C ATOM 1557 C ILE A 997 -26.341 4.346 -2.007 1.00 0.00 C ATOM 1558 O ILE A 997 -25.434 3.996 -1.255 1.00 0.00 O ATOM 1559 CB ILE A 997 -28.499 3.927 -0.799 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -29.974 3.607 -1.023 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -28.342 5.384 -0.424 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -30.286 2.140 -0.939 1.00 0.00 C ATOM 0 H ILE A 997 -27.054 1.710 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 997 -28.217 3.871 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 997 -28.127 3.315 0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -30.570 4.141 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -30.274 3.979 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -28.944 5.599 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -27.294 5.593 -0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -28.675 6.011 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -31.352 1.984 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.716 1.603 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -30.017 1.767 0.049 1.00 0.00 H new ATOM 1574 N GLY A 998 -26.250 5.404 -2.808 1.00 0.00 N ATOM 1575 CA GLY A 998 -25.046 6.218 -2.841 1.00 0.00 C ATOM 1576 C GLY A 998 -23.972 5.659 -3.759 1.00 0.00 C ATOM 1577 O GLY A 998 -24.275 5.107 -4.817 1.00 0.00 O ATOM 0 H GLY A 998 -26.991 5.713 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -25.305 7.226 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -24.644 6.302 -1.831 1.00 0.00 H new ATOM 1581 N HIS A 999 -22.713 5.818 -3.356 1.00 0.00 N ATOM 1582 CA HIS A 999 -21.582 5.341 -4.149 1.00 0.00 C ATOM 1583 C HIS A 999 -21.345 3.849 -3.934 1.00 0.00 C ATOM 1584 O HIS A 999 -21.276 3.380 -2.799 1.00 0.00 O ATOM 1585 CB HIS A 999 -20.321 6.133 -3.790 1.00 0.00 C ATOM 1586 CG HIS A 999 -20.456 7.611 -4.008 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -19.465 8.516 -3.688 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -21.473 8.341 -4.521 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -19.868 9.736 -3.995 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -21.083 9.657 -4.503 1.00 0.00 N ATOM 0 H HIS A 999 -22.450 6.275 -2.483 1.00 0.00 H new ATOM 0 HA HIS A 999 -21.817 5.495 -5.202 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -20.073 5.950 -2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -19.487 5.761 -4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -22.418 7.959 -4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -19.300 10.643 -3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -21.642 10.446 -4.829 1.00 0.00 H new ATOM 1599 N SER A1000 -21.224 3.110 -5.034 1.00 0.00 N ATOM 1600 CA SER A1000 -20.998 1.668 -4.969 1.00 0.00 C ATOM 1601 C SER A1000 -19.515 1.336 -4.815 1.00 0.00 C ATOM 1602 O SER A1000 -19.131 0.575 -3.930 1.00 0.00 O ATOM 1603 CB SER A1000 -21.551 0.993 -6.227 1.00 0.00 C ATOM 1604 OG SER A1000 -21.343 -0.408 -6.188 1.00 0.00 O ATOM 0 H SER A1000 -21.279 3.485 -5.981 1.00 0.00 H new ATOM 0 HA SER A1000 -21.521 1.290 -4.090 1.00 0.00 H new ATOM 0 HB2 SER A1000 -22.617 1.203 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A1000 -21.068 1.411 -7.110 1.00 0.00 H new ATOM 0 HG SER A1000 -21.706 -0.815 -7.002 1.00 0.00 H new ATOM 1610 N SER A1001 -18.691 1.898 -5.693 1.00 0.00 N ATOM 1611 CA SER A1001 -17.251 1.654 -5.664 1.00 0.00 C ATOM 1612 C SER A1001 -16.521 2.673 -4.791 1.00 0.00 C ATOM 1613 O SER A1001 -16.997 3.791 -4.595 1.00 0.00 O ATOM 1614 CB SER A1001 -16.683 1.684 -7.081 1.00 0.00 C ATOM 1615 OG SER A1001 -15.272 1.557 -7.067 1.00 0.00 O ATOM 0 H SER A1001 -18.995 2.527 -6.436 1.00 0.00 H new ATOM 0 HA SER A1001 -17.094 0.667 -5.229 1.00 0.00 H new ATOM 0 HB2 SER A1001 -17.118 0.875 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A1001 -16.962 2.618 -7.569 1.00 0.00 H new ATOM 0 HG SER A1001 -14.898 1.975 -7.871 1.00 0.00 H new ATOM 1621 N ALA A1002 -15.356 2.277 -4.280 1.00 0.00 N ATOM 1622 CA ALA A1002 -14.543 3.149 -3.436 1.00 0.00 C ATOM 1623 C ALA A1002 -13.078 2.717 -3.466 1.00 0.00 C ATOM 1624 O ALA A1002 -12.769 1.538 -3.305 1.00 0.00 O ATOM 1625 CB ALA A1002 -15.068 3.143 -2.008 1.00 0.00 C ATOM 0 H ALA A1002 -14.953 1.353 -4.437 1.00 0.00 H new ATOM 0 HA ALA A1002 -14.609 4.164 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.452 3.797 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -16.098 3.499 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -15.030 2.129 -1.611 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.181 3.675 -3.686 1.00 0.00 N ATOM 1632 CA GLU A1003 -10.750 3.380 -3.751 1.00 0.00 C ATOM 1633 C GLU A1003 -9.997 3.972 -2.567 1.00 0.00 C ATOM 1634 O GLU A1003 -10.116 5.162 -2.279 1.00 0.00 O ATOM 1635 CB GLU A1003 -10.155 3.935 -5.046 1.00 0.00 C ATOM 1636 CG GLU A1003 -8.697 3.562 -5.255 1.00 0.00 C ATOM 1637 CD GLU A1003 -8.142 4.086 -6.564 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -8.899 4.739 -7.313 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -6.949 3.842 -6.843 1.00 0.00 O ATOM 0 H GLU A1003 -12.417 4.658 -3.822 1.00 0.00 H new ATOM 0 HA GLU A1003 -10.642 2.296 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -10.739 3.569 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -10.246 5.021 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -8.104 3.956 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -8.597 2.477 -5.231 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.186 3.149 -1.907 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.385 3.625 -0.787 1.00 0.00 C ATOM 1648 C CYS A1004 -7.279 4.520 -1.318 1.00 0.00 C ATOM 1649 O CYS A1004 -6.525 4.120 -2.202 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.784 2.447 -0.012 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.720 2.927 1.391 1.00 0.00 S ATOM 0 H CYS A1004 -9.068 2.160 -2.126 1.00 0.00 H new ATOM 0 HA CYS A1004 -9.021 4.189 -0.104 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.596 1.822 0.361 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.201 1.835 -0.701 1.00 0.00 H new ATOM 1656 N ILE A1005 -7.190 5.735 -0.799 1.00 0.00 N ATOM 1657 CA ILE A1005 -6.173 6.664 -1.263 1.00 0.00 C ATOM 1658 C ILE A1005 -5.391 7.266 -0.102 1.00 0.00 C ATOM 1659 O ILE A1005 -5.292 6.670 0.972 1.00 0.00 O ATOM 1660 CB ILE A1005 -6.791 7.793 -2.113 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -7.845 8.556 -1.309 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -7.397 7.228 -3.388 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -8.505 9.678 -2.080 1.00 0.00 C ATOM 0 H ILE A1005 -7.801 6.097 -0.066 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.484 6.092 -1.885 1.00 0.00 H new ATOM 0 HB ILE A1005 -5.999 8.490 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -8.612 7.856 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.378 8.968 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -7.829 8.038 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -6.621 6.731 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -8.176 6.510 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -9.240 10.173 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -7.749 10.400 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -9.002 9.271 -2.961 1.00 0.00 H new ATOM 1675 N LEU A1006 -4.828 8.446 -0.331 1.00 0.00 N ATOM 1676 CA LEU A1006 -4.032 9.126 0.683 1.00 0.00 C ATOM 1677 C LEU A1006 -4.111 10.638 0.510 1.00 0.00 C ATOM 1678 O LEU A1006 -3.855 11.394 1.444 1.00 0.00 O ATOM 1679 CB LEU A1006 -2.573 8.671 0.584 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.617 9.315 1.591 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -1.916 8.828 3.000 1.00 0.00 C ATOM 1682 CD2 LEU A1006 -0.169 9.022 1.218 1.00 0.00 C ATOM 0 H LEU A1006 -4.908 8.953 -1.212 1.00 0.00 H new ATOM 0 HA LEU A1006 -4.430 8.869 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.537 7.589 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -2.211 8.883 -0.422 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.766 10.394 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -1.226 9.297 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.939 9.092 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -1.797 7.745 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A1006 0.496 9.488 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A1006 -0.005 7.944 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A1006 0.040 9.424 0.226 1.00 0.00 H new ATOM 1694 N SER A1007 -4.456 11.070 -0.694 1.00 0.00 N ATOM 1695 CA SER A1007 -4.561 12.493 -0.997 1.00 0.00 C ATOM 1696 C SER A1007 -3.272 13.214 -0.614 1.00 0.00 C ATOM 1697 O SER A1007 -3.281 14.408 -0.309 1.00 0.00 O ATOM 1698 CB SER A1007 -5.750 13.107 -0.253 1.00 0.00 C ATOM 1699 OG SER A1007 -5.901 14.479 -0.575 1.00 0.00 O ATOM 0 H SER A1007 -4.669 10.455 -1.480 1.00 0.00 H new ATOM 0 HA SER A1007 -4.720 12.609 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A1007 -6.662 12.568 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A1007 -5.607 12.996 0.822 1.00 0.00 H new ATOM 0 HG SER A1007 -5.025 14.918 -0.555 1.00 0.00 H new ATOM 1705 N GLY A1008 -2.165 12.474 -0.629 1.00 0.00 N ATOM 1706 CA GLY A1008 -0.877 13.045 -0.277 1.00 0.00 C ATOM 1707 C GLY A1008 -0.900 13.745 1.068 1.00 0.00 C ATOM 1708 O GLY A1008 -0.228 14.761 1.252 1.00 0.00 O ATOM 0 H GLY A1008 -2.139 11.486 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A1008 -0.126 12.255 -0.259 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -0.575 13.755 -1.047 1.00 0.00 H new ATOM 1712 N ASN A1009 -1.669 13.199 2.009 1.00 0.00 N ATOM 1713 CA ASN A1009 -1.781 13.777 3.348 1.00 0.00 C ATOM 1714 C ASN A1009 -2.366 12.779 4.338 1.00 0.00 C ATOM 1715 O ASN A1009 -1.840 12.598 5.437 1.00 0.00 O ATOM 1716 CB ASN A1009 -2.677 15.019 3.327 1.00 0.00 C ATOM 1717 CG ASN A1009 -2.051 16.194 2.602 1.00 0.00 C ATOM 1718 OD1 ASN A1009 -0.991 16.685 2.991 1.00 0.00 O ATOM 1719 ND2 ASN A1009 -2.706 16.653 1.542 1.00 0.00 N ATOM 0 H ASN A1009 -2.225 12.355 1.869 1.00 0.00 H new ATOM 0 HA ASN A1009 -0.773 14.048 3.663 1.00 0.00 H new ATOM 0 HB2 ASN A1009 -3.624 14.768 2.849 1.00 0.00 H new ATOM 0 HB3 ASN A1009 -2.905 15.312 4.352 1.00 0.00 H new ATOM 0 HD21 ASN A1009 -2.334 17.443 1.015 1.00 0.00 H new ATOM 0 HD22 ASN A1009 -3.582 16.216 1.255 1.00 0.00 H new ATOM 1726 N THR A1010 -3.477 12.158 3.956 1.00 0.00 N ATOM 1727 CA THR A1010 -4.156 11.209 4.826 1.00 0.00 C ATOM 1728 C THR A1010 -4.793 10.070 4.036 1.00 0.00 C ATOM 1729 O THR A1010 -5.432 10.298 3.010 1.00 0.00 O ATOM 1730 CB THR A1010 -5.258 11.921 5.623 1.00 0.00 C ATOM 1731 OG1 THR A1010 -4.710 13.045 6.323 1.00 0.00 O ATOM 1732 CG2 THR A1010 -5.909 10.974 6.613 1.00 0.00 C ATOM 0 H THR A1010 -3.925 12.296 3.050 1.00 0.00 H new ATOM 0 HA THR A1010 -3.404 10.794 5.497 1.00 0.00 H new ATOM 0 HB THR A1010 -6.017 12.264 4.920 1.00 0.00 H new ATOM 0 HG1 THR A1010 -5.420 13.494 6.827 1.00 0.00 H new ATOM 0 HG21 THR A1010 -6.686 11.503 7.165 1.00 0.00 H new ATOM 0 HG22 THR A1010 -6.352 10.135 6.077 1.00 0.00 H new ATOM 0 HG23 THR A1010 -5.157 10.603 7.310 1.00 0.00 H new ATOM 1740 N ALA A1011 -4.637 8.845 4.531 1.00 0.00 N ATOM 1741 CA ALA A1011 -5.215 7.682 3.870 1.00 0.00 C ATOM 1742 C ALA A1011 -6.705 7.591 4.170 1.00 0.00 C ATOM 1743 O ALA A1011 -7.117 7.592 5.330 1.00 0.00 O ATOM 1744 CB ALA A1011 -4.505 6.412 4.310 1.00 0.00 C ATOM 0 H ALA A1011 -4.118 8.634 5.383 1.00 0.00 H new ATOM 0 HA ALA A1011 -5.084 7.793 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.950 5.554 3.807 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -3.448 6.477 4.051 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -4.607 6.293 5.389 1.00 0.00 H new ATOM 1750 N HIS A1012 -7.511 7.534 3.115 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.965 7.466 3.270 1.00 0.00 C ATOM 1752 C HIS A1012 -9.646 6.954 2.003 1.00 0.00 C ATOM 1753 O HIS A1012 -9.132 7.128 0.900 1.00 0.00 O ATOM 1754 CB HIS A1012 -9.518 8.850 3.625 1.00 0.00 C ATOM 1755 CG HIS A1012 -9.131 9.923 2.652 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -9.694 11.182 2.651 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -8.221 9.924 1.647 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -9.150 11.904 1.686 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -8.254 11.164 1.066 1.00 0.00 N ATOM 0 H HIS A1012 -7.187 7.533 2.148 1.00 0.00 H new ATOM 0 HA HIS A1012 -9.178 6.763 4.075 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -10.605 8.794 3.677 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -9.165 9.128 4.618 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -10.417 11.506 3.294 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -7.587 9.099 1.358 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -9.398 12.927 1.447 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.813 6.335 2.168 1.00 0.00 N ATOM 1769 CA TRP A1013 -11.567 5.817 1.031 1.00 0.00 C ATOM 1770 C TRP A1013 -12.031 6.953 0.127 1.00 0.00 C ATOM 1771 O TRP A1013 -12.369 8.039 0.597 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.780 5.007 1.495 1.00 0.00 C ATOM 1773 CG TRP A1013 -12.417 3.745 2.209 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -12.592 3.474 3.535 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.806 2.582 1.638 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -12.137 2.210 3.822 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -11.647 1.643 2.674 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.382 2.244 0.350 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -11.081 0.389 2.460 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -10.819 0.999 0.140 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.673 0.085 1.190 1.00 0.00 C ATOM 0 H TRP A1013 -11.255 6.181 3.074 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.901 5.162 0.470 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -13.389 5.625 2.154 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -13.395 4.761 0.630 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -13.025 4.154 4.254 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -12.160 1.766 4.740 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.492 2.943 -0.466 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -10.968 -0.319 3.268 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -10.486 0.727 -0.851 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.229 -0.880 0.994 1.00 0.00 H new ATOM 1792 N SER A1014 -12.043 6.690 -1.173 1.00 0.00 N ATOM 1793 CA SER A1014 -12.463 7.682 -2.154 1.00 0.00 C ATOM 1794 C SER A1014 -13.933 8.049 -1.976 1.00 0.00 C ATOM 1795 O SER A1014 -14.336 9.179 -2.252 1.00 0.00 O ATOM 1796 CB SER A1014 -12.227 7.155 -3.571 1.00 0.00 C ATOM 1797 OG SER A1014 -12.615 8.112 -4.542 1.00 0.00 O ATOM 0 H SER A1014 -11.765 5.794 -1.574 1.00 0.00 H new ATOM 0 HA SER A1014 -11.866 8.581 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.173 6.908 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A1014 -12.790 6.234 -3.718 1.00 0.00 H new ATOM 0 HG SER A1014 -12.453 7.752 -5.439 1.00 0.00 H new ATOM 1803 N THR A1015 -14.735 7.088 -1.520 1.00 0.00 N ATOM 1804 CA THR A1015 -16.163 7.319 -1.321 1.00 0.00 C ATOM 1805 C THR A1015 -16.680 6.567 -0.099 1.00 0.00 C ATOM 1806 O THR A1015 -16.316 5.414 0.134 1.00 0.00 O ATOM 1807 CB THR A1015 -16.982 6.876 -2.550 1.00 0.00 C ATOM 1808 OG1 THR A1015 -16.927 5.452 -2.682 1.00 0.00 O ATOM 1809 CG2 THR A1015 -16.451 7.522 -3.820 1.00 0.00 C ATOM 0 H THR A1015 -14.421 6.147 -1.283 1.00 0.00 H new ATOM 0 HA THR A1015 -16.286 8.391 -1.170 1.00 0.00 H new ATOM 0 HB THR A1015 -18.014 7.194 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A1015 -16.893 5.213 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A1015 -17.046 7.193 -4.672 1.00 0.00 H new ATOM 0 HG22 THR A1015 -16.514 8.606 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A1015 -15.411 7.230 -3.969 1.00 0.00 H new ATOM 1817 N LYS A1016 -17.537 7.228 0.674 1.00 0.00 N ATOM 1818 CA LYS A1016 -18.114 6.625 1.870 1.00 0.00 C ATOM 1819 C LYS A1016 -18.925 5.382 1.513 1.00 0.00 C ATOM 1820 O LYS A1016 -19.504 5.299 0.429 1.00 0.00 O ATOM 1821 CB LYS A1016 -19.000 7.634 2.602 1.00 0.00 C ATOM 1822 CG LYS A1016 -20.157 8.150 1.764 1.00 0.00 C ATOM 1823 CD LYS A1016 -21.018 9.123 2.551 1.00 0.00 C ATOM 1824 CE LYS A1016 -22.137 9.695 1.697 1.00 0.00 C ATOM 1825 NZ LYS A1016 -23.038 8.631 1.176 1.00 0.00 N ATOM 0 H LYS A1016 -17.847 8.183 0.493 1.00 0.00 H new ATOM 0 HA LYS A1016 -17.297 6.329 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -19.396 7.169 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -18.388 8.478 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -19.771 8.642 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -20.767 7.312 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -21.443 8.616 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -20.397 9.935 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -22.717 10.405 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -21.709 10.249 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -23.885 9.067 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -22.539 8.079 0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -23.320 8.003 1.955 1.00 0.00 H new ATOM 1839 N PRO A1017 -18.972 4.391 2.420 1.00 0.00 N ATOM 1840 CA PRO A1017 -19.713 3.144 2.192 1.00 0.00 C ATOM 1841 C PRO A1017 -21.196 3.391 1.922 1.00 0.00 C ATOM 1842 O PRO A1017 -21.860 4.114 2.666 1.00 0.00 O ATOM 1843 CB PRO A1017 -19.530 2.370 3.503 1.00 0.00 C ATOM 1844 CG PRO A1017 -18.313 2.957 4.130 1.00 0.00 C ATOM 1845 CD PRO A1017 -18.310 4.406 3.736 1.00 0.00 C ATOM 0 HA PRO A1017 -19.348 2.611 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -20.400 2.480 4.151 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -19.403 1.303 3.317 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -18.339 2.846 5.214 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -17.411 2.454 3.780 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -18.853 5.021 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -17.298 4.806 3.674 1.00 0.00 H new ATOM 1853 N PRO A1018 -21.738 2.790 0.845 1.00 0.00 N ATOM 1854 CA PRO A1018 -23.151 2.947 0.474 1.00 0.00 C ATOM 1855 C PRO A1018 -24.100 2.370 1.518 1.00 0.00 C ATOM 1856 O PRO A1018 -23.728 2.176 2.674 1.00 0.00 O ATOM 1857 CB PRO A1018 -23.267 2.163 -0.838 1.00 0.00 C ATOM 1858 CG PRO A1018 -22.126 1.207 -0.816 1.00 0.00 C ATOM 1859 CD PRO A1018 -21.017 1.917 -0.097 1.00 0.00 C ATOM 0 HA PRO A1018 -23.429 3.998 0.388 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -24.220 1.639 -0.902 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -23.210 2.826 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -22.398 0.284 -0.303 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -21.825 0.933 -1.827 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -20.360 1.219 0.422 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -20.394 2.491 -0.783 1.00 0.00 H new ATOM 1867 N ILE A1019 -25.333 2.097 1.096 1.00 0.00 N ATOM 1868 CA ILE A1019 -26.342 1.539 1.992 1.00 0.00 C ATOM 1869 C ILE A1019 -27.221 0.522 1.290 1.00 0.00 C ATOM 1870 O ILE A1019 -27.675 0.747 0.169 1.00 0.00 O ATOM 1871 CB ILE A1019 -27.292 2.617 2.540 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -26.539 3.735 3.245 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -28.307 1.988 3.488 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -27.468 4.818 3.739 1.00 0.00 C ATOM 0 H ILE A1019 -25.656 2.253 0.141 1.00 0.00 H new ATOM 0 HA ILE A1019 -25.774 1.077 2.799 1.00 0.00 H new ATOM 0 HB ILE A1019 -27.813 3.058 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -25.983 3.323 4.087 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -25.809 4.168 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -28.975 2.760 3.870 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -28.889 1.238 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -27.784 1.516 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -26.888 5.596 4.236 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -28.005 5.249 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -28.182 4.391 4.444 1.00 0.00 H new ATOM 1886 N CYS A1020 -27.517 -0.568 1.979 1.00 0.00 N ATOM 1887 CA CYS A1020 -28.410 -1.570 1.435 1.00 0.00 C ATOM 1888 C CYS A1020 -29.822 -1.250 1.909 1.00 0.00 C ATOM 1889 O CYS A1020 -30.056 -1.106 3.108 1.00 0.00 O ATOM 1890 CB CYS A1020 -27.998 -2.974 1.880 1.00 0.00 C ATOM 1891 SG CYS A1020 -26.311 -3.451 1.384 1.00 0.00 S ATOM 0 H CYS A1020 -27.154 -0.778 2.909 1.00 0.00 H new ATOM 0 HA CYS A1020 -28.364 -1.552 0.346 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -28.077 -3.036 2.965 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -28.703 -3.695 1.467 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.754 -1.101 0.977 1.00 0.00 N ATOM 1897 CA GLN A1021 -32.121 -0.752 1.346 1.00 0.00 C ATOM 1898 C GLN A1021 -33.136 -1.445 0.445 1.00 0.00 C ATOM 1899 O GLN A1021 -32.973 -1.488 -0.773 1.00 0.00 O ATOM 1900 CB GLN A1021 -32.296 0.766 1.259 1.00 0.00 C ATOM 1901 CG GLN A1021 -33.454 1.305 2.076 1.00 0.00 C ATOM 1902 CD GLN A1021 -33.698 2.782 1.839 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -33.970 3.206 0.716 1.00 0.00 O ATOM 1904 NE2 GLN A1021 -33.600 3.575 2.899 1.00 0.00 N ATOM 0 H GLN A1021 -30.594 -1.214 -0.024 1.00 0.00 H new ATOM 0 HA GLN A1021 -32.299 -1.089 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -31.376 1.246 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -32.441 1.045 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -34.358 0.747 1.830 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -33.255 1.139 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -33.372 3.181 3.812 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -33.752 4.579 2.801 1.00 0.00 H new ATOM 1913 N ARG A1022 -34.181 -1.990 1.061 1.00 0.00 N ATOM 1914 CA ARG A1022 -35.231 -2.694 0.331 1.00 0.00 C ATOM 1915 C ARG A1022 -35.731 -1.883 -0.850 1.00 0.00 C ATOM 1916 O ARG A1022 -36.032 -0.696 -0.731 1.00 0.00 O ATOM 1917 CB ARG A1022 -36.399 -3.021 1.264 1.00 0.00 C ATOM 1918 CG ARG A1022 -37.570 -3.695 0.566 1.00 0.00 C ATOM 1919 CD ARG A1022 -37.188 -5.064 0.024 1.00 0.00 C ATOM 1920 NE ARG A1022 -36.728 -5.966 1.079 1.00 0.00 N ATOM 1921 CZ ARG A1022 -37.491 -6.373 2.091 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -38.753 -5.975 2.180 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -36.991 -7.185 3.012 1.00 0.00 N ATOM 0 H ARG A1022 -34.324 -1.957 2.070 1.00 0.00 H new ATOM 0 HA ARG A1022 -34.800 -3.620 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -36.042 -3.670 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -36.748 -2.100 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -38.400 -3.799 1.265 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -37.919 -3.064 -0.252 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -38.047 -5.506 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -36.403 -4.951 -0.723 1.00 0.00 H new ATOM 0 HE ARG A1022 -35.766 -6.303 1.037 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -39.143 -5.354 1.471 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -39.333 -6.290 2.957 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -36.022 -7.497 2.945 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -37.575 -7.497 3.788 1.00 0.00 H new ATOM 1937 N ILE A1023 -35.814 -2.549 -1.992 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.276 -1.922 -3.213 1.00 0.00 C ATOM 1939 C ILE A1023 -37.796 -1.771 -3.206 1.00 0.00 C ATOM 1940 O ILE A1023 -38.523 -2.749 -3.025 1.00 0.00 O ATOM 1941 CB ILE A1023 -35.853 -2.746 -4.439 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -34.346 -3.010 -4.410 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -36.242 -2.017 -5.709 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -33.854 -3.865 -5.559 1.00 0.00 C ATOM 0 H ILE A1023 -35.564 -3.533 -2.095 1.00 0.00 H new ATOM 0 HA ILE A1023 -35.821 -0.933 -3.270 1.00 0.00 H new ATOM 0 HB ILE A1023 -36.368 -3.706 -4.415 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -33.819 -2.056 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.090 -3.499 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -35.939 -2.607 -6.574 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -37.322 -1.872 -5.729 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -35.745 -1.047 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -32.777 -4.009 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -34.353 -4.834 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -34.077 -3.369 -6.503 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.301 -0.541 -3.403 1.00 0.00 N ATOM 1957 CA PRO A1024 -39.743 -0.266 -3.417 1.00 0.00 C ATOM 1958 C PRO A1024 -40.465 -1.011 -4.535 1.00 0.00 C ATOM 1959 O PRO A1024 -39.864 -1.178 -5.616 1.00 0.00 O ATOM 1960 CB PRO A1024 -39.814 1.249 -3.648 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.483 1.755 -3.217 1.00 0.00 C ATOM 1962 CD PRO A1024 -37.516 0.686 -3.621 1.00 0.00 C ATOM 1963 OXT PRO A1024 -41.625 -1.421 -4.318 1.00 0.00 O ATOM 0 HA PRO A1024 -40.229 -0.594 -2.498 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -40.007 1.482 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -40.618 1.702 -3.067 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -38.246 2.704 -3.698 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -38.455 1.927 -2.141 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.204 0.791 -4.660 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -36.611 0.704 -3.013 1.00 0.00 H new TER 1971 PRO A1024