USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 869 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 991 GLN : amide:sc= 0.146 K(o=0.28,f=-0.52) USER MOD Set 1.2: A1042 GLN : amide:sc= 0.138 K(o=0.28,f=-1) USER MOD Set 2.1: A 962 GLN : amide:sc= 0.458 X(o=0.46,f=0.12) USER MOD Set 2.2: A 992 SER OG : rot 180:sc= 0 USER MOD Single : A 915 GLN : amide:sc= 0.401 K(o=0.4,f=-0.16) USER MOD Single : A 919 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 927 SER OG : rot 78:sc= 0.648 USER MOD Single : A 929 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 930 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.61) USER MOD Single : A 931 THR OG1 : rot 77:sc= -0.0854 USER MOD Single : A 936 GLN :FLIP amide:sc= -0.711 F(o=-1.4,f=-0.71) USER MOD Single : A 937 HIS : no HD1:sc= -0.0285 X(o=-0.029,f=-0.018) USER MOD Single : A 954 GLN :FLIP amide:sc= -0.0364 F(o=-1.5!,f=-0.036) USER MOD Single : A 955 SER OG : rot 72:sc= 0.834 USER MOD Single : A 956 CYS SG : rot -12:sc= -3.84! USER MOD Single : A 957 LYS NZ :NH3+ -169:sc=-0.00793 (180deg=-0.122) USER MOD Single : A 968 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 973 SER OG : rot -93:sc= 1.27 USER MOD Single : A 974 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.87) USER MOD Single : A 976 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.75) USER MOD Single : A 979 SER OG : rot 180:sc= 0.0711 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 983 GLN : amide:sc= -1.21 K(o=-1.2,f=-1.8) USER MOD Single : A 990 SER OG : rot 73:sc= 1.25 USER MOD Single : A 995 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.82) USER MOD Single : A 999 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1000 MET CE :methyl -122:sc= -1.32 (180deg=-5.28!) USER MOD Single : A1005 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot 63:sc= 1.17 USER MOD Single : A1010 THR OG1 : rot 2:sc= 0.819 USER MOD Single : A1012 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A1014 GLN : amide:sc=-0.00223 K(o=-0.0022,f=-0.82) USER MOD Single : A1016 SER OG : rot 77:sc= 1.26 USER MOD Single : A1018 MET CE :methyl -164:sc= -0.127 (180deg=-0.548) USER MOD Single : A1019 GLN :FLIP amide:sc= 0.0114 F(o=-1,f=0.011) USER MOD Single : A1021 SER OG : rot -176:sc= -0.392 USER MOD Single : A1022 GLN :FLIP amide:sc= -0.0916 F(o=-1,f=-0.092) USER MOD Single : A1023 CYS SG : rot 75:sc= 1.22 USER MOD Single : A1025 LYS NZ :NH3+ 166:sc= -0.0105 (180deg=-0.181) USER MOD Single : A1026 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A1029 THR OG1 : rot 71:sc= 0.704 USER MOD Single : A1036 THR OG1 : rot 70:sc= 1.29 USER MOD Single : A1039 GLN : amide:sc=-0.00445 K(o=-0.0044,f=-0.9) USER MOD Single : A1040 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 913 19.214 4.031 -1.988 1.00 0.00 N ATOM 90 CA LEU A 913 17.938 4.443 -2.547 1.00 0.00 C ATOM 91 C LEU A 913 16.797 3.621 -1.964 1.00 0.00 C ATOM 92 O LEU A 913 15.625 3.961 -2.137 1.00 0.00 O ATOM 93 CB LEU A 913 17.936 4.354 -4.074 1.00 0.00 C ATOM 94 CG LEU A 913 18.759 5.429 -4.787 1.00 0.00 C ATOM 95 CD1 LEU A 913 20.199 4.983 -4.980 1.00 0.00 C ATOM 96 CD2 LEU A 913 18.117 5.787 -6.115 1.00 0.00 C ATOM 0 HA LEU A 913 17.787 5.487 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.315 3.375 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 913 16.906 4.415 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 913 18.775 6.320 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.758 5.768 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.652 4.787 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 913 20.221 4.074 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 913 18.712 6.553 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 913 18.067 4.900 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 913 17.110 6.166 -5.942 1.00 0.00 H new ATOM 108 N VAL A 914 17.135 2.546 -1.261 1.00 0.00 N ATOM 109 CA VAL A 914 16.126 1.744 -0.588 1.00 0.00 C ATOM 110 C VAL A 914 15.734 2.391 0.736 1.00 0.00 C ATOM 111 O VAL A 914 14.779 1.970 1.383 1.00 0.00 O ATOM 112 CB VAL A 914 16.588 0.294 -0.345 1.00 0.00 C ATOM 113 CG1 VAL A 914 16.953 -0.371 -1.662 1.00 0.00 C ATOM 114 CG2 VAL A 914 17.753 0.242 0.631 1.00 0.00 C ATOM 0 H VAL A 914 18.092 2.213 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 914 15.261 1.703 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 914 15.760 -0.256 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 914 17.278 -1.395 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 914 16.083 -0.380 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 914 17.761 0.184 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 914 18.056 -0.794 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 914 18.591 0.810 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 914 17.448 0.673 1.585 1.00 0.00 H new ATOM 124 N GLN A 915 16.467 3.434 1.120 1.00 0.00 N ATOM 125 CA GLN A 915 16.123 4.208 2.303 1.00 0.00 C ATOM 126 C GLN A 915 14.774 4.883 2.091 1.00 0.00 C ATOM 127 O GLN A 915 13.970 5.005 3.018 1.00 0.00 O ATOM 128 CB GLN A 915 17.206 5.250 2.608 1.00 0.00 C ATOM 129 CG GLN A 915 16.945 6.052 3.873 1.00 0.00 C ATOM 130 CD GLN A 915 16.869 5.177 5.111 1.00 0.00 C ATOM 131 OE1 GLN A 915 17.872 4.933 5.779 1.00 0.00 O ATOM 132 NE2 GLN A 915 15.676 4.699 5.421 1.00 0.00 N ATOM 0 H GLN A 915 17.300 3.759 0.629 1.00 0.00 H new ATOM 0 HA GLN A 915 16.058 3.537 3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 915 18.167 4.745 2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 915 17.286 5.935 1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 915 17.737 6.790 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 915 16.011 6.603 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 915 14.869 4.926 4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 915 15.563 4.104 6.241 1.00 0.00 H new ATOM 141 N ARG A 916 14.525 5.305 0.851 1.00 0.00 N ATOM 142 CA ARG A 916 13.225 5.843 0.477 1.00 0.00 C ATOM 143 C ARG A 916 12.165 4.763 0.613 1.00 0.00 C ATOM 144 O ARG A 916 11.062 5.018 1.089 1.00 0.00 O ATOM 145 CB ARG A 916 13.228 6.361 -0.962 1.00 0.00 C ATOM 146 CG ARG A 916 14.129 7.559 -1.200 1.00 0.00 C ATOM 147 CD ARG A 916 13.899 8.138 -2.588 1.00 0.00 C ATOM 148 NE ARG A 916 12.512 8.585 -2.765 1.00 0.00 N ATOM 149 CZ ARG A 916 12.014 9.058 -3.907 1.00 0.00 C ATOM 150 NH1 ARG A 916 12.800 9.216 -4.964 1.00 0.00 N ATOM 151 NH2 ARG A 916 10.731 9.393 -3.977 1.00 0.00 N ATOM 0 H ARG A 916 15.207 5.283 0.093 1.00 0.00 H new ATOM 0 HA ARG A 916 13.003 6.676 1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 916 13.538 5.553 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 916 12.209 6.629 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 916 13.935 8.322 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 916 15.172 7.263 -1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 916 14.576 8.977 -2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 916 14.138 7.387 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 916 11.888 8.530 -1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 916 13.789 8.975 -4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 916 12.415 9.578 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 916 10.131 9.288 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 916 10.345 9.755 -4.849 1.00 0.00 H new ATOM 165 N LEU A 917 12.521 3.550 0.200 1.00 0.00 N ATOM 166 CA LEU A 917 11.612 2.414 0.262 1.00 0.00 C ATOM 167 C LEU A 917 11.197 2.120 1.692 1.00 0.00 C ATOM 168 O LEU A 917 10.033 1.846 1.950 1.00 0.00 O ATOM 169 CB LEU A 917 12.250 1.173 -0.362 1.00 0.00 C ATOM 170 CG LEU A 917 12.325 1.186 -1.886 1.00 0.00 C ATOM 171 CD1 LEU A 917 12.989 -0.082 -2.395 1.00 0.00 C ATOM 172 CD2 LEU A 917 10.933 1.335 -2.476 1.00 0.00 C ATOM 0 H LEU A 917 13.440 3.330 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 917 10.721 2.676 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.259 1.062 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 917 11.685 0.295 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 917 12.929 2.037 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 917 13.035 -0.057 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 917 13.999 -0.151 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 917 12.410 -0.949 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 917 10.998 1.343 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 917 10.311 0.499 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.490 2.270 -2.132 1.00 0.00 H new ATOM 184 N GLU A 918 12.150 2.178 2.617 1.00 0.00 N ATOM 185 CA GLU A 918 11.848 1.992 4.034 1.00 0.00 C ATOM 186 C GLU A 918 10.746 2.945 4.476 1.00 0.00 C ATOM 187 O GLU A 918 9.757 2.534 5.082 1.00 0.00 O ATOM 188 CB GLU A 918 13.090 2.234 4.890 1.00 0.00 C ATOM 189 CG GLU A 918 14.177 1.190 4.721 1.00 0.00 C ATOM 190 CD GLU A 918 15.359 1.457 5.625 1.00 0.00 C ATOM 191 OE1 GLU A 918 15.169 2.099 6.683 1.00 0.00 O ATOM 192 OE2 GLU A 918 16.482 1.038 5.281 1.00 0.00 O ATOM 0 H GLU A 918 13.134 2.352 2.413 1.00 0.00 H new ATOM 0 HA GLU A 918 11.514 0.963 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.501 3.213 4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.794 2.267 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 918 13.769 0.203 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.509 1.176 3.683 1.00 0.00 H new ATOM 199 N HIS A 919 10.920 4.214 4.142 1.00 0.00 N ATOM 200 CA HIS A 919 9.979 5.249 4.539 1.00 0.00 C ATOM 201 C HIS A 919 8.646 5.076 3.812 1.00 0.00 C ATOM 202 O HIS A 919 7.578 5.139 4.426 1.00 0.00 O ATOM 203 CB HIS A 919 10.570 6.629 4.242 1.00 0.00 C ATOM 204 CG HIS A 919 9.761 7.765 4.782 1.00 0.00 C ATOM 205 ND1 HIS A 919 8.972 8.571 3.992 1.00 0.00 N ATOM 206 CD2 HIS A 919 9.623 8.230 6.044 1.00 0.00 C ATOM 207 CE1 HIS A 919 8.388 9.483 4.744 1.00 0.00 C ATOM 208 NE2 HIS A 919 8.766 9.296 5.992 1.00 0.00 N ATOM 0 H HIS A 919 11.710 4.553 3.593 1.00 0.00 H new ATOM 0 HA HIS A 919 9.796 5.162 5.610 1.00 0.00 H new ATOM 0 HB2 HIS A 919 11.575 6.681 4.661 1.00 0.00 H new ATOM 0 HB3 HIS A 919 10.668 6.747 3.163 1.00 0.00 H new ATOM 0 HD2 HIS A 919 10.100 7.834 6.928 1.00 0.00 H new ATOM 0 HE1 HIS A 919 7.714 10.252 4.396 1.00 0.00 H new ATOM 0 HE2 HIS A 919 8.468 9.856 6.791 1.00 0.00 H new ATOM 216 N ALA A 920 8.721 4.844 2.508 1.00 0.00 N ATOM 217 CA ALA A 920 7.533 4.716 1.677 1.00 0.00 C ATOM 218 C ALA A 920 6.741 3.460 2.019 1.00 0.00 C ATOM 219 O ALA A 920 5.516 3.484 2.045 1.00 0.00 O ATOM 220 CB ALA A 920 7.916 4.714 0.204 1.00 0.00 C ATOM 0 H ALA A 920 9.600 4.740 2.001 1.00 0.00 H new ATOM 0 HA ALA A 920 6.894 5.576 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 920 7.017 4.618 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.423 5.647 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.583 3.876 0.003 1.00 0.00 H new ATOM 226 N ALA A 921 7.439 2.365 2.292 1.00 0.00 N ATOM 227 CA ALA A 921 6.780 1.103 2.604 1.00 0.00 C ATOM 228 C ALA A 921 6.046 1.180 3.934 1.00 0.00 C ATOM 229 O ALA A 921 4.957 0.628 4.073 1.00 0.00 O ATOM 230 CB ALA A 921 7.777 -0.042 2.613 1.00 0.00 C ATOM 0 H ALA A 921 8.458 2.325 2.304 1.00 0.00 H new ATOM 0 HA ALA A 921 6.045 0.912 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.260 -0.972 2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.245 -0.125 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.543 0.148 3.365 1.00 0.00 H new ATOM 236 N LYS A 922 6.633 1.872 4.906 1.00 0.00 N ATOM 237 CA LYS A 922 5.989 2.044 6.204 1.00 0.00 C ATOM 238 C LYS A 922 4.684 2.818 6.058 1.00 0.00 C ATOM 239 O LYS A 922 3.648 2.408 6.583 1.00 0.00 O ATOM 240 CB LYS A 922 6.909 2.772 7.188 1.00 0.00 C ATOM 241 CG LYS A 922 8.102 1.949 7.646 1.00 0.00 C ATOM 242 CD LYS A 922 8.919 2.701 8.683 1.00 0.00 C ATOM 243 CE LYS A 922 10.132 1.902 9.128 1.00 0.00 C ATOM 244 NZ LYS A 922 10.919 2.617 10.167 1.00 0.00 N ATOM 0 H LYS A 922 7.546 2.319 4.821 1.00 0.00 H new ATOM 0 HA LYS A 922 5.775 1.050 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.271 3.688 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.328 3.068 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 922 7.756 1.004 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.731 1.706 6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 922 9.244 3.655 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 922 8.293 2.925 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 922 9.807 0.938 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 922 10.768 1.699 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 11.737 2.037 10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 11.251 3.526 9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 10.320 2.788 11.000 1.00 0.00 H new ATOM 258 N GLN A 923 4.732 3.932 5.332 1.00 0.00 N ATOM 259 CA GLN A 923 3.547 4.757 5.145 1.00 0.00 C ATOM 260 C GLN A 923 2.545 4.064 4.224 1.00 0.00 C ATOM 261 O GLN A 923 1.341 4.191 4.415 1.00 0.00 O ATOM 262 CB GLN A 923 3.912 6.143 4.599 1.00 0.00 C ATOM 263 CG GLN A 923 4.528 6.126 3.214 1.00 0.00 C ATOM 264 CD GLN A 923 4.831 7.512 2.691 1.00 0.00 C ATOM 265 OE1 GLN A 923 5.920 8.042 2.899 1.00 0.00 O ATOM 266 NE2 GLN A 923 3.865 8.117 2.020 1.00 0.00 N ATOM 0 H GLN A 923 5.571 4.280 4.868 1.00 0.00 H new ATOM 0 HA GLN A 923 3.082 4.894 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 923 3.014 6.760 4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.609 6.620 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.448 5.542 3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 923 3.849 5.623 2.525 1.00 0.00 H new ATOM 0 HE21 GLN A 923 2.975 7.643 1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 923 4.010 9.058 1.654 1.00 0.00 H new ATOM 275 N ALA A 924 3.043 3.323 3.239 1.00 0.00 N ATOM 276 CA ALA A 924 2.175 2.561 2.350 1.00 0.00 C ATOM 277 C ALA A 924 1.445 1.480 3.131 1.00 0.00 C ATOM 278 O ALA A 924 0.233 1.320 2.999 1.00 0.00 O ATOM 279 CB ALA A 924 2.970 1.948 1.206 1.00 0.00 C ATOM 0 H ALA A 924 4.039 3.235 3.037 1.00 0.00 H new ATOM 0 HA ALA A 924 1.440 3.242 1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.299 1.385 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.450 2.740 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.731 1.280 1.609 1.00 0.00 H new ATOM 285 N ALA A 925 2.195 0.758 3.956 1.00 0.00 N ATOM 286 CA ALA A 925 1.626 -0.266 4.824 1.00 0.00 C ATOM 287 C ALA A 925 0.569 0.345 5.742 1.00 0.00 C ATOM 288 O ALA A 925 -0.519 -0.208 5.918 1.00 0.00 O ATOM 289 CB ALA A 925 2.729 -0.934 5.639 1.00 0.00 C ATOM 0 H ALA A 925 3.206 0.864 4.042 1.00 0.00 H new ATOM 0 HA ALA A 925 1.145 -1.025 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.293 -1.697 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.450 -1.397 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.233 -0.186 6.251 1.00 0.00 H new ATOM 295 N ALA A 926 0.895 1.503 6.303 1.00 0.00 N ATOM 296 CA ALA A 926 -0.019 2.228 7.176 1.00 0.00 C ATOM 297 C ALA A 926 -1.270 2.670 6.422 1.00 0.00 C ATOM 298 O ALA A 926 -2.385 2.303 6.789 1.00 0.00 O ATOM 299 CB ALA A 926 0.681 3.436 7.780 1.00 0.00 C ATOM 0 H ALA A 926 1.795 1.964 6.167 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.327 1.554 7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 926 -0.012 3.970 8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.542 3.105 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 926 1.015 4.100 6.982 1.00 0.00 H new ATOM 305 N SER A 927 -1.072 3.440 5.355 1.00 0.00 N ATOM 306 CA SER A 927 -2.179 3.988 4.579 1.00 0.00 C ATOM 307 C SER A 927 -3.087 2.883 4.047 1.00 0.00 C ATOM 308 O SER A 927 -4.309 3.048 3.993 1.00 0.00 O ATOM 309 CB SER A 927 -1.636 4.839 3.431 1.00 0.00 C ATOM 310 OG SER A 927 -0.874 5.931 3.928 1.00 0.00 O ATOM 0 H SER A 927 -0.149 3.699 5.007 1.00 0.00 H new ATOM 0 HA SER A 927 -2.780 4.617 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.016 4.224 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 927 -2.463 5.212 2.826 1.00 0.00 H new ATOM 0 HG SER A 927 0.013 5.614 4.199 1.00 0.00 H new ATOM 316 N ALA A 928 -2.494 1.757 3.665 1.00 0.00 N ATOM 317 CA ALA A 928 -3.267 0.603 3.233 1.00 0.00 C ATOM 318 C ALA A 928 -4.179 0.134 4.354 1.00 0.00 C ATOM 319 O ALA A 928 -5.353 -0.147 4.133 1.00 0.00 O ATOM 320 CB ALA A 928 -2.350 -0.525 2.790 1.00 0.00 C ATOM 0 H ALA A 928 -1.483 1.621 3.646 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.880 0.898 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.950 -1.378 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.731 -0.186 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.711 -0.822 3.621 1.00 0.00 H new ATOM 326 N THR A 929 -3.633 0.089 5.564 1.00 0.00 N ATOM 327 CA THR A 929 -4.386 -0.334 6.736 1.00 0.00 C ATOM 328 C THR A 929 -5.586 0.585 6.970 1.00 0.00 C ATOM 329 O THR A 929 -6.710 0.116 7.142 1.00 0.00 O ATOM 330 CB THR A 929 -3.494 -0.350 7.994 1.00 0.00 C ATOM 331 OG1 THR A 929 -2.307 -1.116 7.744 1.00 0.00 O ATOM 332 CG2 THR A 929 -4.237 -0.941 9.185 1.00 0.00 C ATOM 0 H THR A 929 -2.664 0.343 5.758 1.00 0.00 H new ATOM 0 HA THR A 929 -4.743 -1.346 6.548 1.00 0.00 H new ATOM 0 HB THR A 929 -3.224 0.680 8.229 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.719 -0.620 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.584 -0.940 10.058 1.00 0.00 H new ATOM 0 HG22 THR A 929 -5.124 -0.343 9.394 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.535 -1.964 8.956 1.00 0.00 H new ATOM 340 N GLN A 930 -5.345 1.896 6.959 1.00 0.00 N ATOM 341 CA GLN A 930 -6.413 2.873 7.119 1.00 0.00 C ATOM 342 C GLN A 930 -7.479 2.728 6.034 1.00 0.00 C ATOM 343 O GLN A 930 -8.670 2.887 6.304 1.00 0.00 O ATOM 344 CB GLN A 930 -5.846 4.293 7.114 1.00 0.00 C ATOM 345 CG GLN A 930 -5.253 4.728 8.448 1.00 0.00 C ATOM 346 CD GLN A 930 -3.969 4.012 8.817 1.00 0.00 C ATOM 347 OE1 GLN A 930 -2.874 4.472 8.491 1.00 0.00 O ATOM 348 NE2 GLN A 930 -4.088 2.894 9.519 1.00 0.00 N ATOM 0 H GLN A 930 -4.417 2.303 6.841 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.888 2.683 8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.076 4.363 6.346 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.638 4.988 6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -5.062 5.801 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -5.990 4.559 9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -5.013 2.545 9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -3.254 2.383 9.809 1.00 0.00 H new ATOM 357 N THR A 931 -7.056 2.419 4.811 1.00 0.00 N ATOM 358 CA THR A 931 -7.997 2.227 3.717 1.00 0.00 C ATOM 359 C THR A 931 -8.823 0.961 3.943 1.00 0.00 C ATOM 360 O THR A 931 -10.038 0.958 3.747 1.00 0.00 O ATOM 361 CB THR A 931 -7.274 2.146 2.357 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.333 3.221 2.239 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.271 2.227 1.210 1.00 0.00 C ATOM 0 H THR A 931 -6.076 2.298 4.556 1.00 0.00 H new ATOM 0 HA THR A 931 -8.660 3.092 3.697 1.00 0.00 H new ATOM 0 HB THR A 931 -6.752 1.190 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.537 3.019 2.773 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.739 2.168 0.261 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.977 1.400 1.282 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.812 3.172 1.264 1.00 0.00 H new ATOM 371 N ILE A 932 -8.159 -0.107 4.382 1.00 0.00 N ATOM 372 CA ILE A 932 -8.835 -1.361 4.700 1.00 0.00 C ATOM 373 C ILE A 932 -9.824 -1.151 5.844 1.00 0.00 C ATOM 374 O ILE A 932 -10.943 -1.666 5.819 1.00 0.00 O ATOM 375 CB ILE A 932 -7.824 -2.467 5.083 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.866 -2.740 3.922 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.548 -3.746 5.483 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.786 -3.750 4.245 1.00 0.00 C ATOM 0 H ILE A 932 -7.149 -0.127 4.526 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.372 -1.683 3.808 1.00 0.00 H new ATOM 0 HB ILE A 932 -7.246 -2.118 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.439 -3.096 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.396 -1.803 3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.817 -4.510 5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -9.192 -3.547 6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -9.154 -4.098 4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -5.147 -3.890 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -5.187 -3.387 5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -6.246 -4.701 4.515 1.00 0.00 H new ATOM 390 N ALA A 933 -9.402 -0.382 6.841 1.00 0.00 N ATOM 391 CA ALA A 933 -10.257 -0.048 7.969 1.00 0.00 C ATOM 392 C ALA A 933 -11.486 0.721 7.504 1.00 0.00 C ATOM 393 O ALA A 933 -12.611 0.395 7.878 1.00 0.00 O ATOM 394 CB ALA A 933 -9.481 0.763 8.996 1.00 0.00 C ATOM 0 H ALA A 933 -8.467 0.023 6.889 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.591 -0.975 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.133 1.006 9.835 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.632 0.181 9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.122 1.684 8.536 1.00 0.00 H new ATOM 400 N ALA A 934 -11.264 1.731 6.669 1.00 0.00 N ATOM 401 CA ALA A 934 -12.355 2.525 6.120 1.00 0.00 C ATOM 402 C ALA A 934 -13.302 1.646 5.312 1.00 0.00 C ATOM 403 O ALA A 934 -14.521 1.793 5.394 1.00 0.00 O ATOM 404 CB ALA A 934 -11.812 3.654 5.258 1.00 0.00 C ATOM 0 H ALA A 934 -10.336 2.019 6.358 1.00 0.00 H new ATOM 0 HA ALA A 934 -12.913 2.962 6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.641 4.236 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.175 4.299 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -11.230 3.237 4.436 1.00 0.00 H new ATOM 410 N ALA A 935 -12.727 0.719 4.555 1.00 0.00 N ATOM 411 CA ALA A 935 -13.498 -0.218 3.748 1.00 0.00 C ATOM 412 C ALA A 935 -14.436 -1.048 4.617 1.00 0.00 C ATOM 413 O ALA A 935 -15.578 -1.308 4.246 1.00 0.00 O ATOM 414 CB ALA A 935 -12.562 -1.126 2.968 1.00 0.00 C ATOM 0 H ALA A 935 -11.717 0.596 4.484 1.00 0.00 H new ATOM 0 HA ALA A 935 -14.106 0.355 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -13.147 -1.823 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.932 -0.523 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.934 -1.684 3.662 1.00 0.00 H new ATOM 420 N GLN A 936 -13.946 -1.458 5.778 1.00 0.00 N ATOM 421 CA GLN A 936 -14.738 -2.253 6.706 1.00 0.00 C ATOM 422 C GLN A 936 -15.755 -1.388 7.440 1.00 0.00 C ATOM 423 O GLN A 936 -16.870 -1.826 7.719 1.00 0.00 O ATOM 424 CB GLN A 936 -13.836 -2.949 7.723 1.00 0.00 C ATOM 425 CG GLN A 936 -12.853 -3.925 7.105 1.00 0.00 C ATOM 426 CD GLN A 936 -11.947 -4.555 8.141 1.00 0.00 C ATOM 427 OE1 GLN A 936 -10.740 -4.904 7.733 1.00 0.00 O flip ATOM 428 NE2 GLN A 936 -12.331 -4.725 9.299 1.00 0.00 N flip ATOM 0 H GLN A 936 -13.000 -1.253 6.101 1.00 0.00 H new ATOM 0 HA GLN A 936 -15.271 -3.004 6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -13.282 -2.193 8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -14.459 -3.482 8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -13.401 -4.707 6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -12.247 -3.407 6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -13.272 -4.440 9.571 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -11.708 -5.150 9.986 1.00 0.00 H new ATOM 437 N HIS A 937 -15.362 -0.158 7.751 1.00 0.00 N ATOM 438 CA HIS A 937 -16.230 0.765 8.476 1.00 0.00 C ATOM 439 C HIS A 937 -17.401 1.204 7.606 1.00 0.00 C ATOM 440 O HIS A 937 -18.524 1.363 8.087 1.00 0.00 O ATOM 441 CB HIS A 937 -15.447 1.987 8.965 1.00 0.00 C ATOM 442 CG HIS A 937 -14.412 1.669 10.002 1.00 0.00 C ATOM 443 ND1 HIS A 937 -13.303 2.455 10.223 1.00 0.00 N ATOM 444 CD2 HIS A 937 -14.320 0.641 10.880 1.00 0.00 C ATOM 445 CE1 HIS A 937 -12.573 1.925 11.183 1.00 0.00 C ATOM 446 NE2 HIS A 937 -13.167 0.824 11.600 1.00 0.00 N ATOM 0 H HIS A 937 -14.447 0.224 7.512 1.00 0.00 H new ATOM 0 HA HIS A 937 -16.622 0.238 9.346 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -14.960 2.459 8.112 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -16.147 2.715 9.375 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -15.023 -0.171 10.992 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -11.645 2.325 11.564 1.00 0.00 H new ATOM 0 HE2 HIS A 937 -12.825 0.209 12.338 1.00 0.00 H new ATOM 614 N LEU A 951 -15.713 -7.417 -3.646 1.00 0.00 N ATOM 615 CA LEU A 951 -14.622 -6.968 -4.519 1.00 0.00 C ATOM 616 C LEU A 951 -13.549 -6.231 -3.714 1.00 0.00 C ATOM 617 O LEU A 951 -12.375 -6.611 -3.741 1.00 0.00 O ATOM 618 CB LEU A 951 -15.165 -6.091 -5.666 1.00 0.00 C ATOM 619 CG LEU A 951 -14.288 -5.991 -6.926 1.00 0.00 C ATOM 620 CD1 LEU A 951 -13.048 -5.148 -6.678 1.00 0.00 C ATOM 621 CD2 LEU A 951 -13.899 -7.379 -7.416 1.00 0.00 C ATOM 0 HA LEU A 951 -14.156 -7.847 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -16.141 -6.478 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -15.324 -5.084 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 951 -14.875 -5.497 -7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -12.453 -5.100 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -13.345 -4.141 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -12.456 -5.598 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -13.279 -7.289 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -13.341 -7.897 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -14.799 -7.946 -7.655 1.00 0.00 H new ATOM 633 N LEU A 952 -13.954 -5.190 -2.997 1.00 0.00 N ATOM 634 CA LEU A 952 -13.036 -4.439 -2.152 1.00 0.00 C ATOM 635 C LEU A 952 -12.474 -5.362 -1.077 1.00 0.00 C ATOM 636 O LEU A 952 -11.270 -5.396 -0.847 1.00 0.00 O ATOM 637 CB LEU A 952 -13.755 -3.244 -1.507 1.00 0.00 C ATOM 638 CG LEU A 952 -12.879 -2.015 -1.203 1.00 0.00 C ATOM 639 CD1 LEU A 952 -13.715 -0.911 -0.582 1.00 0.00 C ATOM 640 CD2 LEU A 952 -11.719 -2.366 -0.287 1.00 0.00 C ATOM 0 H LEU A 952 -14.914 -4.847 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 952 -12.219 -4.054 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.566 -2.934 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -14.212 -3.579 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 952 -12.465 -1.665 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -13.082 -0.049 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -14.506 -0.621 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -14.159 -1.269 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -11.124 -1.473 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -12.104 -2.754 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -11.095 -3.123 -0.763 1.00 0.00 H new ATOM 652 N VAL A 953 -13.356 -6.133 -0.452 1.00 0.00 N ATOM 653 CA VAL A 953 -12.958 -7.066 0.594 1.00 0.00 C ATOM 654 C VAL A 953 -11.973 -8.104 0.054 1.00 0.00 C ATOM 655 O VAL A 953 -11.019 -8.486 0.731 1.00 0.00 O ATOM 656 CB VAL A 953 -14.189 -7.770 1.204 1.00 0.00 C ATOM 657 CG1 VAL A 953 -13.776 -8.750 2.288 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.161 -6.741 1.758 1.00 0.00 C ATOM 0 H VAL A 953 -14.356 -6.130 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.463 -6.493 1.378 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.686 -8.334 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -14.663 -9.231 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.117 -9.507 1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.251 -8.216 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.025 -7.250 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -14.667 -6.153 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.489 -6.081 0.955 1.00 0.00 H new ATOM 668 N GLN A 954 -12.198 -8.543 -1.178 1.00 0.00 N ATOM 669 CA GLN A 954 -11.287 -9.470 -1.837 1.00 0.00 C ATOM 670 C GLN A 954 -9.906 -8.838 -1.971 1.00 0.00 C ATOM 671 O GLN A 954 -8.880 -9.489 -1.759 1.00 0.00 O ATOM 672 CB GLN A 954 -11.820 -9.838 -3.222 1.00 0.00 C ATOM 673 CG GLN A 954 -11.077 -10.989 -3.883 1.00 0.00 C ATOM 674 CD GLN A 954 -11.472 -11.181 -5.335 1.00 0.00 C ATOM 675 OE1 GLN A 954 -11.756 -10.087 -6.022 1.00 0.00 O flip ATOM 676 NE2 GLN A 954 -11.501 -12.303 -5.841 1.00 0.00 N flip ATOM 0 H GLN A 954 -13.004 -8.272 -1.741 1.00 0.00 H new ATOM 0 HA GLN A 954 -11.211 -10.374 -1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -12.874 -10.101 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -11.761 -8.962 -3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -10.004 -10.806 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -11.275 -11.908 -3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -11.275 -13.123 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -11.751 -12.413 -6.824 1.00 0.00 H new ATOM 685 N SER A 955 -9.899 -7.553 -2.292 1.00 0.00 N ATOM 686 CA SER A 955 -8.666 -6.823 -2.518 1.00 0.00 C ATOM 687 C SER A 955 -7.976 -6.476 -1.196 1.00 0.00 C ATOM 688 O SER A 955 -6.760 -6.626 -1.070 1.00 0.00 O ATOM 689 CB SER A 955 -8.961 -5.551 -3.316 1.00 0.00 C ATOM 690 OG SER A 955 -9.704 -5.847 -4.489 1.00 0.00 O ATOM 0 H SER A 955 -10.744 -6.992 -2.402 1.00 0.00 H new ATOM 0 HA SER A 955 -7.988 -7.458 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 955 -9.518 -4.849 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 955 -8.025 -5.063 -3.588 1.00 0.00 H new ATOM 0 HG SER A 955 -10.620 -6.095 -4.242 1.00 0.00 H new ATOM 696 N CYS A 956 -8.751 -6.032 -0.208 1.00 0.00 N ATOM 697 CA CYS A 956 -8.184 -5.602 1.065 1.00 0.00 C ATOM 698 C CYS A 956 -7.541 -6.771 1.801 1.00 0.00 C ATOM 699 O CYS A 956 -6.495 -6.613 2.425 1.00 0.00 O ATOM 700 CB CYS A 956 -9.247 -4.930 1.946 1.00 0.00 C ATOM 701 SG CYS A 956 -10.592 -6.016 2.472 1.00 0.00 S ATOM 0 H CYS A 956 -9.767 -5.961 -0.265 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.408 -4.867 0.849 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -8.760 -4.523 2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -9.671 -4.087 1.400 1.00 0.00 H new ATOM 0 HG CYS A 956 -10.545 -7.124 1.794 1.00 0.00 H new ATOM 707 N LYS A 957 -8.160 -7.945 1.717 1.00 0.00 N ATOM 708 CA LYS A 957 -7.595 -9.146 2.321 1.00 0.00 C ATOM 709 C LYS A 957 -6.259 -9.500 1.668 1.00 0.00 C ATOM 710 O LYS A 957 -5.327 -9.939 2.342 1.00 0.00 O ATOM 711 CB LYS A 957 -8.569 -10.321 2.204 1.00 0.00 C ATOM 712 CG LYS A 957 -9.788 -10.206 3.109 1.00 0.00 C ATOM 713 CD LYS A 957 -10.772 -11.335 2.847 1.00 0.00 C ATOM 714 CE LYS A 957 -11.943 -11.313 3.815 1.00 0.00 C ATOM 715 NZ LYS A 957 -11.529 -11.610 5.212 1.00 0.00 N ATOM 0 H LYS A 957 -9.049 -8.090 1.239 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.423 -8.944 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -8.903 -10.401 1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -8.039 -11.244 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.474 -10.228 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -10.278 -9.246 2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -11.146 -11.259 1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -10.255 -12.291 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -12.421 -10.334 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -12.688 -12.042 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -12.373 -11.768 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -10.935 -12.464 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -10.989 -10.807 5.592 1.00 0.00 H new ATOM 729 N ALA A 958 -6.169 -9.289 0.359 1.00 0.00 N ATOM 730 CA ALA A 958 -4.935 -9.543 -0.372 1.00 0.00 C ATOM 731 C ALA A 958 -3.859 -8.545 0.037 1.00 0.00 C ATOM 732 O ALA A 958 -2.695 -8.905 0.212 1.00 0.00 O ATOM 733 CB ALA A 958 -5.184 -9.477 -1.872 1.00 0.00 C ATOM 0 H ALA A 958 -6.937 -8.943 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 958 -4.585 -10.545 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -4.252 -9.669 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.923 -10.228 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.555 -8.487 -2.136 1.00 0.00 H new ATOM 739 N VAL A 959 -4.267 -7.291 0.196 1.00 0.00 N ATOM 740 CA VAL A 959 -3.364 -6.227 0.621 1.00 0.00 C ATOM 741 C VAL A 959 -2.895 -6.451 2.054 1.00 0.00 C ATOM 742 O VAL A 959 -1.723 -6.250 2.371 1.00 0.00 O ATOM 743 CB VAL A 959 -4.039 -4.840 0.511 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.147 -3.746 1.077 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.391 -4.539 -0.934 1.00 0.00 C ATOM 0 H VAL A 959 -5.226 -6.984 0.035 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.502 -6.251 -0.045 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.955 -4.864 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.649 -2.783 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -2.943 -3.950 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.208 -3.720 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.865 -3.560 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.483 -4.542 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -5.077 -5.299 -1.307 1.00 0.00 H new ATOM 755 N ALA A 960 -3.812 -6.895 2.906 1.00 0.00 N ATOM 756 CA ALA A 960 -3.513 -7.132 4.316 1.00 0.00 C ATOM 757 C ALA A 960 -2.408 -8.169 4.490 1.00 0.00 C ATOM 758 O ALA A 960 -1.709 -8.169 5.501 1.00 0.00 O ATOM 759 CB ALA A 960 -4.768 -7.568 5.058 1.00 0.00 C ATOM 0 H ALA A 960 -4.776 -7.100 2.643 1.00 0.00 H new ATOM 0 HA ALA A 960 -3.157 -6.193 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.529 -7.741 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.525 -6.788 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -5.150 -8.488 4.617 1.00 0.00 H new ATOM 765 N GLU A 961 -2.252 -9.047 3.508 1.00 0.00 N ATOM 766 CA GLU A 961 -1.205 -10.060 3.553 1.00 0.00 C ATOM 767 C GLU A 961 0.117 -9.497 3.033 1.00 0.00 C ATOM 768 O GLU A 961 1.190 -10.003 3.360 1.00 0.00 O ATOM 769 CB GLU A 961 -1.610 -11.287 2.733 1.00 0.00 C ATOM 770 CG GLU A 961 -2.875 -11.972 3.228 1.00 0.00 C ATOM 771 CD GLU A 961 -2.763 -12.451 4.662 1.00 0.00 C ATOM 772 OE1 GLU A 961 -2.073 -13.464 4.902 1.00 0.00 O ATOM 773 OE2 GLU A 961 -3.348 -11.808 5.560 1.00 0.00 O ATOM 0 H GLU A 961 -2.836 -9.079 2.672 1.00 0.00 H new ATOM 0 HA GLU A 961 -1.070 -10.360 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.754 -10.986 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.791 -12.006 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -3.713 -11.280 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -3.099 -12.822 2.583 1.00 0.00 H new ATOM 780 N GLN A 962 0.030 -8.435 2.239 1.00 0.00 N ATOM 781 CA GLN A 962 1.215 -7.821 1.648 1.00 0.00 C ATOM 782 C GLN A 962 1.836 -6.811 2.608 1.00 0.00 C ATOM 783 O GLN A 962 3.032 -6.532 2.539 1.00 0.00 O ATOM 784 CB GLN A 962 0.867 -7.125 0.329 1.00 0.00 C ATOM 785 CG GLN A 962 0.229 -8.033 -0.710 1.00 0.00 C ATOM 786 CD GLN A 962 1.049 -9.273 -0.998 1.00 0.00 C ATOM 787 OE1 GLN A 962 0.867 -10.312 -0.368 1.00 0.00 O ATOM 788 NE2 GLN A 962 1.954 -9.179 -1.958 1.00 0.00 N ATOM 0 H GLN A 962 -0.849 -7.981 1.989 1.00 0.00 H new ATOM 0 HA GLN A 962 1.936 -8.615 1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.188 -6.298 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 962 1.776 -6.694 -0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.761 -8.331 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.089 -7.474 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 962 2.076 -8.299 -2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 962 2.530 -9.986 -2.197 1.00 0.00 H new ATOM 797 N ILE A 963 1.011 -6.265 3.498 1.00 0.00 N ATOM 798 CA ILE A 963 1.471 -5.296 4.495 1.00 0.00 C ATOM 799 C ILE A 963 2.653 -5.838 5.317 1.00 0.00 C ATOM 800 O ILE A 963 3.693 -5.183 5.400 1.00 0.00 O ATOM 801 CB ILE A 963 0.324 -4.862 5.440 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.789 -4.179 4.639 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.845 -3.933 6.530 1.00 0.00 C ATOM 804 CD1 ILE A 963 -1.992 -3.790 5.473 1.00 0.00 C ATOM 0 H ILE A 963 0.015 -6.477 3.551 1.00 0.00 H new ATOM 0 HA ILE A 963 1.813 -4.421 3.942 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.085 -5.751 5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.385 -3.286 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -1.113 -4.848 3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 963 0.022 -3.640 7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.606 -4.449 7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.280 -3.044 6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.737 -3.312 4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.422 -4.682 5.929 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.684 -3.096 6.255 1.00 0.00 H new ATOM 816 N PRO A 964 2.528 -7.038 5.932 1.00 0.00 N ATOM 817 CA PRO A 964 3.635 -7.650 6.674 1.00 0.00 C ATOM 818 C PRO A 964 4.860 -7.877 5.794 1.00 0.00 C ATOM 819 O PRO A 964 5.991 -7.775 6.261 1.00 0.00 O ATOM 820 CB PRO A 964 3.067 -8.990 7.150 1.00 0.00 C ATOM 821 CG PRO A 964 1.592 -8.810 7.126 1.00 0.00 C ATOM 822 CD PRO A 964 1.317 -7.877 5.983 1.00 0.00 C ATOM 0 HA PRO A 964 3.975 -7.010 7.488 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.376 -9.805 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 964 3.419 -9.235 8.152 1.00 0.00 H new ATOM 0 HG2 PRO A 964 1.083 -9.764 6.985 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.233 -8.393 8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 964 1.163 -8.419 5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.421 -7.281 6.157 1.00 0.00 H new ATOM 830 N LEU A 965 4.627 -8.169 4.517 1.00 0.00 N ATOM 831 CA LEU A 965 5.716 -8.398 3.573 1.00 0.00 C ATOM 832 C LEU A 965 6.510 -7.120 3.340 1.00 0.00 C ATOM 833 O LEU A 965 7.735 -7.159 3.202 1.00 0.00 O ATOM 834 CB LEU A 965 5.180 -8.941 2.247 1.00 0.00 C ATOM 835 CG LEU A 965 4.610 -10.356 2.316 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.103 -10.794 0.952 1.00 0.00 C ATOM 837 CD2 LEU A 965 5.665 -11.324 2.833 1.00 0.00 C ATOM 0 H LEU A 965 3.694 -8.252 4.113 1.00 0.00 H new ATOM 0 HA LEU A 965 6.384 -9.143 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.403 -8.269 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 965 5.985 -8.924 1.512 1.00 0.00 H new ATOM 0 HG LEU A 965 3.768 -10.359 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 965 3.701 -11.805 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.319 -10.113 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 965 4.925 -10.779 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.246 -12.329 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.524 -11.318 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 965 5.982 -11.019 3.830 1.00 0.00 H new ATOM 849 N LEU A 966 5.805 -5.993 3.299 1.00 0.00 N ATOM 850 CA LEU A 966 6.454 -4.691 3.213 1.00 0.00 C ATOM 851 C LEU A 966 7.371 -4.491 4.401 1.00 0.00 C ATOM 852 O LEU A 966 8.572 -4.306 4.246 1.00 0.00 O ATOM 853 CB LEU A 966 5.429 -3.559 3.203 1.00 0.00 C ATOM 854 CG LEU A 966 4.603 -3.416 1.933 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.592 -2.299 2.110 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.505 -3.139 0.740 1.00 0.00 C ATOM 0 H LEU A 966 4.786 -5.956 3.324 1.00 0.00 H new ATOM 0 HA LEU A 966 7.022 -4.669 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.748 -3.706 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 966 5.953 -2.620 3.379 1.00 0.00 H new ATOM 0 HG LEU A 966 4.072 -4.349 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 966 3.000 -2.196 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 966 2.934 -2.533 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.115 -1.364 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 966 4.898 -3.040 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 966 6.058 -2.215 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.207 -3.964 0.615 1.00 0.00 H new ATOM 868 N VAL A 967 6.784 -4.559 5.587 1.00 0.00 N ATOM 869 CA VAL A 967 7.509 -4.309 6.822 1.00 0.00 C ATOM 870 C VAL A 967 8.631 -5.325 7.015 1.00 0.00 C ATOM 871 O VAL A 967 9.690 -4.995 7.545 1.00 0.00 O ATOM 872 CB VAL A 967 6.555 -4.325 8.035 1.00 0.00 C ATOM 873 CG1 VAL A 967 7.287 -3.932 9.310 1.00 0.00 C ATOM 874 CG2 VAL A 967 5.374 -3.398 7.783 1.00 0.00 C ATOM 0 H VAL A 967 5.799 -4.787 5.719 1.00 0.00 H new ATOM 0 HA VAL A 967 7.955 -3.317 6.748 1.00 0.00 H new ATOM 0 HB VAL A 967 6.181 -5.340 8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.592 -3.951 10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 967 8.099 -4.635 9.495 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.695 -2.927 9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.707 -3.416 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.736 -2.382 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.832 -3.731 6.898 1.00 0.00 H new ATOM 884 N GLN A 968 8.401 -6.556 6.570 1.00 0.00 N ATOM 885 CA GLN A 968 9.440 -7.580 6.577 1.00 0.00 C ATOM 886 C GLN A 968 10.631 -7.106 5.751 1.00 0.00 C ATOM 887 O GLN A 968 11.784 -7.222 6.170 1.00 0.00 O ATOM 888 CB GLN A 968 8.901 -8.893 6.005 1.00 0.00 C ATOM 889 CG GLN A 968 9.881 -10.053 6.092 1.00 0.00 C ATOM 890 CD GLN A 968 9.373 -11.296 5.389 1.00 0.00 C ATOM 891 OE1 GLN A 968 8.681 -12.122 5.984 1.00 0.00 O ATOM 892 NE2 GLN A 968 9.723 -11.445 4.121 1.00 0.00 N ATOM 0 H GLN A 968 7.504 -6.869 6.200 1.00 0.00 H new ATOM 0 HA GLN A 968 9.757 -7.753 7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 968 7.988 -9.161 6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 968 8.629 -8.738 4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 968 10.833 -9.754 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 968 10.073 -10.285 7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 968 10.298 -10.737 3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 968 9.418 -12.268 3.601 1.00 0.00 H new ATOM 901 N GLY A 969 10.332 -6.562 4.577 1.00 0.00 N ATOM 902 CA GLY A 969 11.364 -6.006 3.724 1.00 0.00 C ATOM 903 C GLY A 969 12.003 -4.772 4.334 1.00 0.00 C ATOM 904 O GLY A 969 13.222 -4.603 4.272 1.00 0.00 O ATOM 0 H GLY A 969 9.387 -6.496 4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 969 12.131 -6.760 3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 969 10.935 -5.751 2.755 1.00 0.00 H new ATOM 908 N VAL A 970 11.175 -3.910 4.924 1.00 0.00 N ATOM 909 CA VAL A 970 11.661 -2.710 5.604 1.00 0.00 C ATOM 910 C VAL A 970 12.666 -3.089 6.687 1.00 0.00 C ATOM 911 O VAL A 970 13.777 -2.566 6.732 1.00 0.00 O ATOM 912 CB VAL A 970 10.508 -1.902 6.255 1.00 0.00 C ATOM 913 CG1 VAL A 970 11.038 -0.620 6.879 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.415 -1.580 5.246 1.00 0.00 C ATOM 0 H VAL A 970 10.161 -4.021 4.944 1.00 0.00 H new ATOM 0 HA VAL A 970 12.136 -2.086 4.847 1.00 0.00 H new ATOM 0 HB VAL A 970 10.073 -2.523 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.214 -0.067 7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.773 -0.865 7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.507 -0.007 6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.623 -1.013 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.834 -0.989 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 970 9.004 -2.507 4.847 1.00 0.00 H new ATOM 924 N ARG A 971 12.270 -4.028 7.541 1.00 0.00 N ATOM 925 CA ARG A 971 13.124 -4.500 8.624 1.00 0.00 C ATOM 926 C ARG A 971 14.367 -5.195 8.076 1.00 0.00 C ATOM 927 O ARG A 971 15.415 -5.205 8.720 1.00 0.00 O ATOM 928 CB ARG A 971 12.352 -5.452 9.537 1.00 0.00 C ATOM 929 CG ARG A 971 11.243 -4.777 10.325 1.00 0.00 C ATOM 930 CD ARG A 971 10.458 -5.787 11.143 1.00 0.00 C ATOM 931 NE ARG A 971 11.323 -6.555 12.036 1.00 0.00 N ATOM 932 CZ ARG A 971 11.153 -7.850 12.303 1.00 0.00 C ATOM 933 NH1 ARG A 971 10.123 -8.508 11.788 1.00 0.00 N ATOM 934 NH2 ARG A 971 12.007 -8.480 13.098 1.00 0.00 N ATOM 0 H ARG A 971 11.356 -4.479 7.502 1.00 0.00 H new ATOM 0 HA ARG A 971 13.441 -3.633 9.204 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.922 -6.251 8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 971 13.049 -5.918 10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 971 11.670 -4.023 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 971 10.571 -4.258 9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 971 9.700 -5.268 11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 971 9.933 -6.467 10.473 1.00 0.00 H new ATOM 0 HE ARG A 971 12.103 -6.072 12.481 1.00 0.00 H new ATOM 0 HH11 ARG A 971 9.458 -8.023 11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 971 9.996 -9.499 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 971 12.793 -7.974 13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 971 11.877 -9.471 13.303 1.00 0.00 H new ATOM 948 N GLY A 972 14.239 -5.773 6.888 1.00 0.00 N ATOM 949 CA GLY A 972 15.374 -6.394 6.235 1.00 0.00 C ATOM 950 C GLY A 972 16.417 -5.371 5.832 1.00 0.00 C ATOM 951 O GLY A 972 17.615 -5.581 6.025 1.00 0.00 O ATOM 0 H GLY A 972 13.365 -5.822 6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.823 -7.127 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 972 15.035 -6.935 5.352 1.00 0.00 H new ATOM 955 N SER A 973 15.953 -4.253 5.290 1.00 0.00 N ATOM 956 CA SER A 973 16.836 -3.158 4.920 1.00 0.00 C ATOM 957 C SER A 973 17.429 -2.521 6.176 1.00 0.00 C ATOM 958 O SER A 973 18.589 -2.110 6.193 1.00 0.00 O ATOM 959 CB SER A 973 16.065 -2.115 4.102 1.00 0.00 C ATOM 960 OG SER A 973 16.915 -1.080 3.646 1.00 0.00 O ATOM 0 H SER A 973 14.966 -4.081 5.097 1.00 0.00 H new ATOM 0 HA SER A 973 17.650 -3.546 4.308 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.590 -2.599 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 973 15.268 -1.690 4.712 1.00 0.00 H new ATOM 0 HG SER A 973 16.902 -0.340 4.288 1.00 0.00 H new ATOM 966 N GLN A 974 16.627 -2.457 7.235 1.00 0.00 N ATOM 967 CA GLN A 974 17.081 -1.913 8.509 1.00 0.00 C ATOM 968 C GLN A 974 18.074 -2.855 9.183 1.00 0.00 C ATOM 969 O GLN A 974 18.860 -2.438 10.034 1.00 0.00 O ATOM 970 CB GLN A 974 15.896 -1.654 9.438 1.00 0.00 C ATOM 971 CG GLN A 974 14.929 -0.605 8.917 1.00 0.00 C ATOM 972 CD GLN A 974 13.827 -0.292 9.905 1.00 0.00 C ATOM 973 OE1 GLN A 974 12.764 -0.915 9.895 1.00 0.00 O ATOM 974 NE2 GLN A 974 14.072 0.675 10.771 1.00 0.00 N ATOM 0 H GLN A 974 15.658 -2.776 7.235 1.00 0.00 H new ATOM 0 HA GLN A 974 17.583 -0.967 8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 974 15.356 -2.588 9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 974 16.271 -1.338 10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 974 15.478 0.309 8.688 1.00 0.00 H new ATOM 0 HG3 GLN A 974 14.487 -0.954 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 974 14.965 1.167 10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 974 13.368 0.929 11.464 1.00 0.00 H new ATOM 983 N ALA A 975 18.033 -4.127 8.801 1.00 0.00 N ATOM 984 CA ALA A 975 18.964 -5.111 9.332 1.00 0.00 C ATOM 985 C ALA A 975 20.366 -4.842 8.807 1.00 0.00 C ATOM 986 O ALA A 975 21.287 -4.579 9.579 1.00 0.00 O ATOM 987 CB ALA A 975 18.518 -6.521 8.977 1.00 0.00 C ATOM 0 H ALA A 975 17.365 -4.499 8.126 1.00 0.00 H new ATOM 0 HA ALA A 975 18.977 -5.026 10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 975 19.228 -7.241 9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.531 -6.707 9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 975 18.475 -6.627 7.893 1.00 0.00 H new ATOM 993 N GLN A 976 20.519 -4.888 7.491 1.00 0.00 N ATOM 994 CA GLN A 976 21.798 -4.603 6.858 1.00 0.00 C ATOM 995 C GLN A 976 21.606 -3.793 5.583 1.00 0.00 C ATOM 996 O GLN A 976 21.413 -4.355 4.507 1.00 0.00 O ATOM 997 CB GLN A 976 22.556 -5.896 6.537 1.00 0.00 C ATOM 998 CG GLN A 976 23.129 -6.595 7.759 1.00 0.00 C ATOM 999 CD GLN A 976 24.181 -5.760 8.465 1.00 0.00 C ATOM 1000 OE1 GLN A 976 24.900 -4.981 7.837 1.00 0.00 O ATOM 1001 NE2 GLN A 976 24.276 -5.915 9.774 1.00 0.00 N ATOM 0 H GLN A 976 19.770 -5.121 6.839 1.00 0.00 H new ATOM 0 HA GLN A 976 22.387 -4.017 7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 976 21.883 -6.581 6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 976 23.369 -5.667 5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 976 22.322 -6.822 8.456 1.00 0.00 H new ATOM 0 HG3 GLN A 976 23.567 -7.547 7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 976 23.661 -6.571 10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 976 24.964 -5.379 10.302 1.00 0.00 H new ATOM 1010 N PRO A 977 21.650 -2.455 5.688 1.00 0.00 N ATOM 1011 CA PRO A 977 21.550 -1.565 4.524 1.00 0.00 C ATOM 1012 C PRO A 977 22.787 -1.668 3.638 1.00 0.00 C ATOM 1013 O PRO A 977 22.802 -1.201 2.499 1.00 0.00 O ATOM 1014 CB PRO A 977 21.446 -0.169 5.142 1.00 0.00 C ATOM 1015 CG PRO A 977 22.076 -0.298 6.485 1.00 0.00 C ATOM 1016 CD PRO A 977 21.788 -1.701 6.946 1.00 0.00 C ATOM 0 HA PRO A 977 20.705 -1.814 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 977 21.963 0.573 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 977 20.407 0.152 5.222 1.00 0.00 H new ATOM 0 HG2 PRO A 977 23.150 -0.118 6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 977 21.665 0.433 7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 977 22.596 -2.094 7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 977 20.878 -1.748 7.544 1.00 0.00 H new ATOM 1024 N ASP A 978 23.825 -2.291 4.182 1.00 0.00 N ATOM 1025 CA ASP A 978 25.062 -2.518 3.453 1.00 0.00 C ATOM 1026 C ASP A 978 24.934 -3.743 2.560 1.00 0.00 C ATOM 1027 O ASP A 978 25.834 -4.053 1.778 1.00 0.00 O ATOM 1028 CB ASP A 978 26.228 -2.706 4.428 1.00 0.00 C ATOM 1029 CG ASP A 978 26.520 -1.460 5.234 1.00 0.00 C ATOM 1030 OD1 ASP A 978 27.269 -0.586 4.750 1.00 0.00 O ATOM 1031 OD2 ASP A 978 25.999 -1.342 6.363 1.00 0.00 O ATOM 0 H ASP A 978 23.831 -2.651 5.136 1.00 0.00 H new ATOM 0 HA ASP A 978 25.258 -1.645 2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 978 26.000 -3.528 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 978 27.120 -2.991 3.871 1.00 0.00 H new ATOM 1036 N SER A 979 23.811 -4.435 2.681 1.00 0.00 N ATOM 1037 CA SER A 979 23.563 -5.629 1.899 1.00 0.00 C ATOM 1038 C SER A 979 22.498 -5.367 0.840 1.00 0.00 C ATOM 1039 O SER A 979 21.316 -5.202 1.157 1.00 0.00 O ATOM 1040 CB SER A 979 23.127 -6.781 2.808 1.00 0.00 C ATOM 1041 OG SER A 979 22.766 -7.925 2.049 1.00 0.00 O ATOM 0 H SER A 979 23.055 -4.185 3.318 1.00 0.00 H new ATOM 0 HA SER A 979 24.490 -5.907 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 979 23.937 -7.035 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 979 22.282 -6.465 3.420 1.00 0.00 H new ATOM 0 HG SER A 979 22.493 -8.646 2.654 1.00 0.00 H new ATOM 1047 N PRO A 980 22.904 -5.325 -0.437 1.00 0.00 N ATOM 1048 CA PRO A 980 21.972 -5.186 -1.556 1.00 0.00 C ATOM 1049 C PRO A 980 21.068 -6.409 -1.677 1.00 0.00 C ATOM 1050 O PRO A 980 19.982 -6.343 -2.253 1.00 0.00 O ATOM 1051 CB PRO A 980 22.881 -5.059 -2.786 1.00 0.00 C ATOM 1052 CG PRO A 980 24.237 -4.745 -2.246 1.00 0.00 C ATOM 1053 CD PRO A 980 24.299 -5.393 -0.894 1.00 0.00 C ATOM 0 HA PRO A 980 21.304 -4.333 -1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 980 22.892 -5.984 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 980 22.532 -4.271 -3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 980 25.018 -5.132 -2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 980 24.388 -3.668 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 980 24.655 -6.421 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.972 -4.861 -0.221 1.00 0.00 H new ATOM 1061 N SER A 981 21.520 -7.520 -1.107 1.00 0.00 N ATOM 1062 CA SER A 981 20.742 -8.746 -1.094 1.00 0.00 C ATOM 1063 C SER A 981 19.591 -8.630 -0.096 1.00 0.00 C ATOM 1064 O SER A 981 18.500 -9.160 -0.319 1.00 0.00 O ATOM 1065 CB SER A 981 21.642 -9.928 -0.730 1.00 0.00 C ATOM 1066 OG SER A 981 22.811 -9.948 -1.538 1.00 0.00 O ATOM 0 H SER A 981 22.427 -7.593 -0.646 1.00 0.00 H new ATOM 0 HA SER A 981 20.325 -8.912 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 981 21.924 -9.865 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 981 21.092 -10.861 -0.857 1.00 0.00 H new ATOM 0 HG SER A 981 23.371 -10.712 -1.285 1.00 0.00 H new ATOM 1072 N ALA A 982 19.844 -7.912 0.995 1.00 0.00 N ATOM 1073 CA ALA A 982 18.844 -7.702 2.034 1.00 0.00 C ATOM 1074 C ALA A 982 17.818 -6.669 1.602 1.00 0.00 C ATOM 1075 O ALA A 982 16.612 -6.868 1.761 1.00 0.00 O ATOM 1076 CB ALA A 982 19.510 -7.256 3.323 1.00 0.00 C ATOM 0 H ALA A 982 20.741 -7.463 1.182 1.00 0.00 H new ATOM 0 HA ALA A 982 18.331 -8.649 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 982 18.751 -7.103 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 982 20.211 -8.022 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 982 20.046 -6.323 3.151 1.00 0.00 H new ATOM 1082 N GLN A 983 18.309 -5.567 1.048 1.00 0.00 N ATOM 1083 CA GLN A 983 17.449 -4.470 0.624 1.00 0.00 C ATOM 1084 C GLN A 983 16.544 -4.907 -0.525 1.00 0.00 C ATOM 1085 O GLN A 983 15.462 -4.355 -0.728 1.00 0.00 O ATOM 1086 CB GLN A 983 18.300 -3.279 0.206 1.00 0.00 C ATOM 1087 CG GLN A 983 18.988 -3.471 -1.129 1.00 0.00 C ATOM 1088 CD GLN A 983 19.856 -2.297 -1.532 1.00 0.00 C ATOM 1089 OE1 GLN A 983 20.425 -1.611 -0.688 1.00 0.00 O ATOM 1090 NE2 GLN A 983 19.956 -2.057 -2.828 1.00 0.00 N ATOM 0 H GLN A 983 19.303 -5.410 0.882 1.00 0.00 H new ATOM 0 HA GLN A 983 16.816 -4.178 1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 983 17.670 -2.391 0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 983 19.054 -3.094 0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 983 19.603 -4.370 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 983 18.233 -3.636 -1.898 1.00 0.00 H new ATOM 0 HE21 GLN A 983 19.466 -2.652 -3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 983 20.523 -1.277 -3.160 1.00 0.00 H new ATOM 1099 N LEU A 984 17.001 -5.909 -1.265 1.00 0.00 N ATOM 1100 CA LEU A 984 16.244 -6.474 -2.374 1.00 0.00 C ATOM 1101 C LEU A 984 14.880 -6.975 -1.892 1.00 0.00 C ATOM 1102 O LEU A 984 13.885 -6.884 -2.612 1.00 0.00 O ATOM 1103 CB LEU A 984 17.041 -7.623 -2.997 1.00 0.00 C ATOM 1104 CG LEU A 984 17.011 -7.714 -4.525 1.00 0.00 C ATOM 1105 CD1 LEU A 984 15.610 -8.019 -5.032 1.00 0.00 C ATOM 1106 CD2 LEU A 984 17.535 -6.427 -5.145 1.00 0.00 C ATOM 0 H LEU A 984 17.907 -6.353 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 984 16.077 -5.701 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 984 18.080 -7.532 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 984 16.665 -8.562 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 984 17.661 -8.536 -4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 984 15.622 -8.077 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 984 15.274 -8.971 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 984 14.929 -7.228 -4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 984 17.507 -6.509 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 984 16.912 -5.590 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 984 18.562 -6.259 -4.820 1.00 0.00 H new ATOM 1118 N ALA A 985 14.841 -7.470 -0.659 1.00 0.00 N ATOM 1119 CA ALA A 985 13.608 -7.991 -0.076 1.00 0.00 C ATOM 1120 C ALA A 985 12.578 -6.881 0.109 1.00 0.00 C ATOM 1121 O ALA A 985 11.375 -7.138 0.152 1.00 0.00 O ATOM 1122 CB ALA A 985 13.897 -8.669 1.254 1.00 0.00 C ATOM 0 H ALA A 985 15.652 -7.522 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 985 13.193 -8.728 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 985 12.968 -9.052 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.592 -9.494 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.338 -7.948 1.942 1.00 0.00 H new ATOM 1128 N LEU A 986 13.055 -5.647 0.215 1.00 0.00 N ATOM 1129 CA LEU A 986 12.170 -4.497 0.327 1.00 0.00 C ATOM 1130 C LEU A 986 11.683 -4.110 -1.063 1.00 0.00 C ATOM 1131 O LEU A 986 10.498 -3.847 -1.269 1.00 0.00 O ATOM 1132 CB LEU A 986 12.907 -3.318 0.980 1.00 0.00 C ATOM 1133 CG LEU A 986 12.054 -2.403 1.869 1.00 0.00 C ATOM 1134 CD1 LEU A 986 12.916 -1.304 2.463 1.00 0.00 C ATOM 1135 CD2 LEU A 986 10.891 -1.801 1.098 1.00 0.00 C ATOM 0 H LEU A 986 14.049 -5.418 0.226 1.00 0.00 H new ATOM 0 HA LEU A 986 11.317 -4.754 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 986 13.726 -3.714 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 986 13.354 -2.712 0.191 1.00 0.00 H new ATOM 0 HG LEU A 986 11.639 -3.010 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 986 12.302 -0.660 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 986 13.709 -1.749 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.357 -0.713 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 986 10.309 -1.159 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.273 -1.212 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.255 -2.600 0.716 1.00 0.00 H new ATOM 1147 N ILE A 987 12.608 -4.105 -2.016 1.00 0.00 N ATOM 1148 CA ILE A 987 12.297 -3.774 -3.401 1.00 0.00 C ATOM 1149 C ILE A 987 11.227 -4.712 -3.950 1.00 0.00 C ATOM 1150 O ILE A 987 10.215 -4.268 -4.497 1.00 0.00 O ATOM 1151 CB ILE A 987 13.555 -3.863 -4.291 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.669 -2.982 -3.720 1.00 0.00 C ATOM 1153 CG2 ILE A 987 13.226 -3.454 -5.721 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.986 -3.112 -4.452 1.00 0.00 C ATOM 0 H ILE A 987 13.589 -4.329 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 987 11.925 -2.750 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 987 13.902 -4.896 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 987 14.348 -1.941 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.820 -3.238 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 987 14.124 -3.523 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.461 -4.118 -6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.858 -2.428 -5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.725 -2.458 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.331 -4.144 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.852 -2.827 -5.496 1.00 0.00 H new ATOM 1166 N ALA A 988 11.453 -6.010 -3.778 1.00 0.00 N ATOM 1167 CA ALA A 988 10.509 -7.022 -4.231 1.00 0.00 C ATOM 1168 C ALA A 988 9.162 -6.856 -3.535 1.00 0.00 C ATOM 1169 O ALA A 988 8.114 -6.913 -4.177 1.00 0.00 O ATOM 1170 CB ALA A 988 11.069 -8.414 -3.984 1.00 0.00 C ATOM 0 H ALA A 988 12.286 -6.386 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 988 10.355 -6.893 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 988 10.353 -9.161 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 988 12.005 -8.532 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 988 11.251 -8.549 -2.918 1.00 0.00 H new ATOM 1176 N ALA A 989 9.203 -6.626 -2.225 1.00 0.00 N ATOM 1177 CA ALA A 989 7.990 -6.440 -1.439 1.00 0.00 C ATOM 1178 C ALA A 989 7.188 -5.245 -1.937 1.00 0.00 C ATOM 1179 O ALA A 989 5.969 -5.315 -2.056 1.00 0.00 O ATOM 1180 CB ALA A 989 8.328 -6.263 0.033 1.00 0.00 C ATOM 0 H ALA A 989 10.067 -6.564 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 989 7.379 -7.335 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.409 -6.125 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.851 -7.148 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.966 -5.388 0.157 1.00 0.00 H new ATOM 1186 N SER A 990 7.889 -4.157 -2.235 1.00 0.00 N ATOM 1187 CA SER A 990 7.252 -2.941 -2.718 1.00 0.00 C ATOM 1188 C SER A 990 6.474 -3.205 -4.005 1.00 0.00 C ATOM 1189 O SER A 990 5.299 -2.858 -4.114 1.00 0.00 O ATOM 1190 CB SER A 990 8.305 -1.859 -2.954 1.00 0.00 C ATOM 1191 OG SER A 990 9.052 -1.613 -1.775 1.00 0.00 O ATOM 0 H SER A 990 8.903 -4.094 -2.149 1.00 0.00 H new ATOM 0 HA SER A 990 6.548 -2.598 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.975 -2.168 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.820 -0.939 -3.280 1.00 0.00 H new ATOM 0 HG SER A 990 9.660 -2.364 -1.610 1.00 0.00 H new ATOM 1197 N GLN A 991 7.128 -3.848 -4.966 1.00 0.00 N ATOM 1198 CA GLN A 991 6.505 -4.139 -6.253 1.00 0.00 C ATOM 1199 C GLN A 991 5.374 -5.151 -6.088 1.00 0.00 C ATOM 1200 O GLN A 991 4.323 -5.040 -6.724 1.00 0.00 O ATOM 1201 CB GLN A 991 7.545 -4.666 -7.243 1.00 0.00 C ATOM 1202 CG GLN A 991 8.745 -3.747 -7.405 1.00 0.00 C ATOM 1203 CD GLN A 991 9.713 -4.226 -8.469 1.00 0.00 C ATOM 1204 OE1 GLN A 991 9.815 -5.422 -8.742 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.435 -3.296 -9.072 1.00 0.00 N ATOM 0 H GLN A 991 8.089 -4.178 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 991 6.085 -3.213 -6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.889 -5.645 -6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 991 7.072 -4.808 -8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 991 8.398 -2.746 -7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 991 9.269 -3.670 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 991 10.320 -2.315 -8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 991 11.107 -3.560 -9.793 1.00 0.00 H new ATOM 1214 N SER A 992 5.586 -6.118 -5.204 1.00 0.00 N ATOM 1215 CA SER A 992 4.599 -7.156 -4.940 1.00 0.00 C ATOM 1216 C SER A 992 3.403 -6.586 -4.176 1.00 0.00 C ATOM 1217 O SER A 992 2.342 -7.207 -4.103 1.00 0.00 O ATOM 1218 CB SER A 992 5.245 -8.298 -4.148 1.00 0.00 C ATOM 1219 OG SER A 992 4.361 -9.398 -3.995 1.00 0.00 O ATOM 0 H SER A 992 6.441 -6.204 -4.654 1.00 0.00 H new ATOM 0 HA SER A 992 4.237 -7.544 -5.892 1.00 0.00 H new ATOM 0 HB2 SER A 992 6.150 -8.627 -4.658 1.00 0.00 H new ATOM 0 HB3 SER A 992 5.546 -7.934 -3.166 1.00 0.00 H new ATOM 0 HG SER A 992 4.807 -10.108 -3.487 1.00 0.00 H new ATOM 1225 N PHE A 993 3.584 -5.404 -3.599 1.00 0.00 N ATOM 1226 CA PHE A 993 2.510 -4.721 -2.894 1.00 0.00 C ATOM 1227 C PHE A 993 1.738 -3.822 -3.849 1.00 0.00 C ATOM 1228 O PHE A 993 0.530 -3.638 -3.701 1.00 0.00 O ATOM 1229 CB PHE A 993 3.078 -3.895 -1.737 1.00 0.00 C ATOM 1230 CG PHE A 993 2.039 -3.145 -0.951 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.187 -3.812 -0.087 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.914 -1.773 -1.079 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.231 -3.125 0.635 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.959 -1.080 -0.361 1.00 0.00 C ATOM 1235 CZ PHE A 993 0.121 -1.760 0.504 1.00 0.00 C ATOM 0 H PHE A 993 4.470 -4.898 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 993 1.828 -5.470 -2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.620 -4.558 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.802 -3.183 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.271 -4.883 0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.571 -1.238 -1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.430 -3.659 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.867 -0.010 -0.475 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.619 -1.220 1.076 1.00 0.00 H new ATOM 1245 N LEU A 994 2.443 -3.275 -4.832 1.00 0.00 N ATOM 1246 CA LEU A 994 1.840 -2.396 -5.831 1.00 0.00 C ATOM 1247 C LEU A 994 0.679 -3.081 -6.540 1.00 0.00 C ATOM 1248 O LEU A 994 -0.370 -2.477 -6.756 1.00 0.00 O ATOM 1249 CB LEU A 994 2.883 -1.980 -6.870 1.00 0.00 C ATOM 1250 CG LEU A 994 4.071 -1.183 -6.331 1.00 0.00 C ATOM 1251 CD1 LEU A 994 5.140 -1.045 -7.400 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.621 0.186 -5.849 1.00 0.00 C ATOM 0 H LEU A 994 3.444 -3.426 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 994 1.465 -1.515 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.262 -2.878 -7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.388 -1.385 -7.638 1.00 0.00 H new ATOM 0 HG LEU A 994 4.494 -1.722 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 994 5.980 -0.475 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.483 -2.035 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.726 -0.526 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.480 0.739 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 994 3.174 0.735 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.885 0.068 -5.054 1.00 0.00 H new ATOM 1264 N GLN A 995 0.880 -4.348 -6.889 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.105 -5.101 -7.656 1.00 0.00 C ATOM 1266 C GLN A 995 -1.462 -5.187 -6.924 1.00 0.00 C ATOM 1267 O GLN A 995 -2.465 -4.704 -7.451 1.00 0.00 O ATOM 1268 CB GLN A 995 0.439 -6.494 -8.000 1.00 0.00 C ATOM 1269 CG GLN A 995 -0.366 -7.220 -9.062 1.00 0.00 C ATOM 1270 CD GLN A 995 -0.387 -6.478 -10.385 1.00 0.00 C ATOM 1271 OE1 GLN A 995 0.556 -5.761 -10.727 1.00 0.00 O ATOM 1272 NE2 GLN A 995 -1.456 -6.654 -11.143 1.00 0.00 N ATOM 0 H GLN A 995 1.720 -4.876 -6.651 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.287 -4.565 -8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 995 1.470 -6.397 -8.341 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.459 -7.100 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 995 0.053 -8.215 -9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -1.388 -7.355 -8.709 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -2.215 -7.256 -10.823 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -1.522 -6.188 -12.048 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.535 -5.784 -5.709 1.00 0.00 N ATOM 1282 CA PRO A 996 -2.792 -5.862 -4.958 1.00 0.00 C ATOM 1283 C PRO A 996 -3.203 -4.508 -4.389 1.00 0.00 C ATOM 1284 O PRO A 996 -4.392 -4.206 -4.273 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.492 -6.842 -3.813 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.167 -7.447 -4.135 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.443 -6.437 -4.976 1.00 0.00 C ATOM 0 HA PRO A 996 -3.616 -6.181 -5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -2.464 -6.326 -2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -3.265 -7.608 -3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -0.609 -7.669 -3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -1.288 -8.387 -4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 996 0.116 -5.728 -4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 996 0.272 -6.909 -5.650 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.209 -3.695 -4.043 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.473 -2.393 -3.462 1.00 0.00 C ATOM 1297 C GLY A 997 -3.237 -1.491 -4.403 1.00 0.00 C ATOM 1298 O GLY A 997 -4.244 -0.894 -4.019 1.00 0.00 O ATOM 0 H GLY A 997 -1.220 -3.918 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.041 -2.517 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.529 -1.919 -3.194 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.770 -1.408 -5.645 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.435 -0.591 -6.640 1.00 0.00 C ATOM 1304 C GLY A 998 -4.847 -1.066 -6.912 1.00 0.00 C ATOM 1305 O GLY A 998 -5.745 -0.263 -7.176 1.00 0.00 O ATOM 0 H GLY A 998 -1.939 -1.895 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.460 0.445 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -2.861 -0.609 -7.567 1.00 0.00 H new ATOM 1309 N LYS A 999 -5.043 -2.377 -6.831 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.360 -2.967 -7.012 1.00 0.00 C ATOM 1311 C LYS A 999 -7.297 -2.575 -5.877 1.00 0.00 C ATOM 1312 O LYS A 999 -8.498 -2.413 -6.086 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.268 -4.491 -7.102 1.00 0.00 C ATOM 1314 CG LYS A 999 -5.705 -4.993 -8.419 1.00 0.00 C ATOM 1315 CD LYS A 999 -5.740 -6.511 -8.492 1.00 0.00 C ATOM 1316 CE LYS A 999 -5.421 -7.010 -9.891 1.00 0.00 C ATOM 1317 NZ LYS A 999 -5.490 -8.491 -9.976 1.00 0.00 N ATOM 0 H LYS A 999 -4.302 -3.052 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.765 -2.582 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -5.643 -4.857 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.262 -4.915 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -6.279 -4.574 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.679 -4.645 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -5.023 -6.927 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -6.726 -6.868 -8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -6.121 -6.572 -10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -4.424 -6.675 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -5.266 -8.794 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -4.804 -8.909 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -6.448 -8.809 -9.726 1.00 0.00 H new ATOM 1331 N MET A1000 -6.748 -2.402 -4.679 1.00 0.00 N ATOM 1332 CA MET A1000 -7.565 -2.067 -3.526 1.00 0.00 C ATOM 1333 C MET A1000 -7.914 -0.587 -3.566 1.00 0.00 C ATOM 1334 O MET A1000 -9.001 -0.186 -3.163 1.00 0.00 O ATOM 1335 CB MET A1000 -6.843 -2.437 -2.229 1.00 0.00 C ATOM 1336 CG MET A1000 -7.783 -2.739 -1.071 1.00 0.00 C ATOM 1337 SD MET A1000 -8.275 -1.276 -0.145 1.00 0.00 S ATOM 1338 CE MET A1000 -6.756 -0.920 0.731 1.00 0.00 C ATOM 0 H MET A1000 -5.750 -2.488 -4.485 1.00 0.00 H new ATOM 0 HA MET A1000 -8.490 -2.642 -3.558 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.212 -3.307 -2.410 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.182 -1.618 -1.945 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.675 -3.232 -1.457 1.00 0.00 H new ATOM 0 HG3 MET A1000 -7.298 -3.442 -0.394 1.00 0.00 H new ATOM 0 HE1 MET A1000 -6.946 -0.923 1.804 1.00 0.00 H new ATOM 0 HE2 MET A1000 -6.011 -1.679 0.492 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.384 0.060 0.431 1.00 0.00 H new ATOM 1348 N VAL A1001 -6.987 0.215 -4.086 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.251 1.629 -4.339 1.00 0.00 C ATOM 1350 C VAL A1001 -8.449 1.771 -5.273 1.00 0.00 C ATOM 1351 O VAL A1001 -9.376 2.538 -5.007 1.00 0.00 O ATOM 1352 CB VAL A1001 -6.029 2.330 -4.976 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.343 3.778 -5.312 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -4.824 2.252 -4.057 1.00 0.00 C ATOM 0 H VAL A1001 -6.047 -0.090 -4.340 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.460 2.104 -3.381 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.793 1.808 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.466 4.246 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -7.173 3.816 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.615 4.312 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -3.976 2.752 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.056 2.741 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.573 1.207 -3.874 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.424 1.007 -6.361 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.510 1.014 -7.329 1.00 0.00 C ATOM 1366 C ALA A1002 -10.794 0.477 -6.707 1.00 0.00 C ATOM 1367 O ALA A1002 -11.863 1.068 -6.865 1.00 0.00 O ATOM 1368 CB ALA A1002 -9.131 0.197 -8.553 1.00 0.00 C ATOM 0 H ALA A1002 -7.659 0.373 -6.593 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.687 2.044 -7.638 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -9.953 0.211 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -8.241 0.624 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -8.927 -0.831 -8.255 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.675 -0.640 -5.994 1.00 0.00 N ATOM 1375 CA ALA A1003 -11.815 -1.265 -5.338 1.00 0.00 C ATOM 1376 C ALA A1003 -12.477 -0.308 -4.356 1.00 0.00 C ATOM 1377 O ALA A1003 -13.704 -0.232 -4.288 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.382 -2.536 -4.625 1.00 0.00 C ATOM 0 H ALA A1003 -9.792 -1.132 -5.857 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.546 -1.521 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.244 -2.992 -4.139 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -10.962 -3.234 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -10.629 -2.294 -3.875 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.660 0.421 -3.605 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.162 1.400 -2.654 1.00 0.00 C ATOM 1386 C ALA A1004 -12.995 2.460 -3.359 1.00 0.00 C ATOM 1387 O ALA A1004 -14.153 2.685 -3.010 1.00 0.00 O ATOM 1388 CB ALA A1004 -11.007 2.045 -1.896 1.00 0.00 C ATOM 0 H ALA A1004 -10.643 0.351 -3.638 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.803 0.885 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.399 2.775 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.453 1.278 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.342 2.544 -2.601 1.00 0.00 H new ATOM 1394 N LYS A1005 -12.409 3.077 -4.381 1.00 0.00 N ATOM 1395 CA LYS A1005 -13.070 4.140 -5.133 1.00 0.00 C ATOM 1396 C LYS A1005 -14.355 3.649 -5.786 1.00 0.00 C ATOM 1397 O LYS A1005 -15.349 4.370 -5.842 1.00 0.00 O ATOM 1398 CB LYS A1005 -12.135 4.687 -6.207 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.890 5.346 -5.646 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.985 5.853 -6.752 1.00 0.00 C ATOM 1401 CE LYS A1005 -8.730 6.495 -6.188 1.00 0.00 C ATOM 1402 NZ LYS A1005 -7.813 6.955 -7.262 1.00 0.00 N ATOM 0 H LYS A1005 -11.469 2.857 -4.710 1.00 0.00 H new ATOM 0 HA LYS A1005 -13.323 4.931 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.839 3.873 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -12.677 5.411 -6.815 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -11.176 6.175 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -10.346 4.632 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -9.710 5.026 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -10.524 6.578 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -9.006 7.341 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -8.212 5.780 -5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -6.969 7.387 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -7.529 6.143 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -8.299 7.657 -7.856 1.00 0.00 H new ATOM 1416 N ALA A1006 -14.327 2.420 -6.277 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.473 1.845 -6.962 1.00 0.00 C ATOM 1418 C ALA A1006 -16.600 1.516 -5.987 1.00 0.00 C ATOM 1419 O ALA A1006 -17.772 1.476 -6.365 1.00 0.00 O ATOM 1420 CB ALA A1006 -15.047 0.606 -7.729 1.00 0.00 C ATOM 0 H ALA A1006 -13.520 1.800 -6.213 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.857 2.584 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -15.910 0.180 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.287 0.876 -8.463 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.637 -0.128 -7.035 1.00 0.00 H new ATOM 1426 N SER A1007 -16.245 1.300 -4.729 1.00 0.00 N ATOM 1427 CA SER A1007 -17.226 0.956 -3.712 1.00 0.00 C ATOM 1428 C SER A1007 -17.837 2.211 -3.091 1.00 0.00 C ATOM 1429 O SER A1007 -18.939 2.162 -2.548 1.00 0.00 O ATOM 1430 CB SER A1007 -16.583 0.084 -2.633 1.00 0.00 C ATOM 1431 OG SER A1007 -16.016 -1.086 -3.202 1.00 0.00 O ATOM 0 H SER A1007 -15.285 1.357 -4.389 1.00 0.00 H new ATOM 0 HA SER A1007 -18.028 0.393 -4.189 1.00 0.00 H new ATOM 0 HB2 SER A1007 -15.811 0.651 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A1007 -17.331 -0.193 -1.890 1.00 0.00 H new ATOM 0 HG SER A1007 -15.299 -0.834 -3.821 1.00 0.00 H new ATOM 1437 N VAL A1008 -17.127 3.330 -3.204 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.584 4.608 -2.652 1.00 0.00 C ATOM 1439 C VAL A1008 -19.028 4.941 -3.073 1.00 0.00 C ATOM 1440 O VAL A1008 -19.889 5.126 -2.213 1.00 0.00 O ATOM 1441 CB VAL A1008 -16.627 5.765 -3.047 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -17.145 7.114 -2.565 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -15.232 5.513 -2.494 1.00 0.00 C ATOM 0 H VAL A1008 -16.225 3.380 -3.677 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.573 4.501 -1.567 1.00 0.00 H new ATOM 0 HB VAL A1008 -16.581 5.794 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -16.448 7.898 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -18.121 7.309 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -17.237 7.101 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -14.574 6.333 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -15.278 5.447 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.844 4.578 -2.898 1.00 0.00 H new ATOM 1453 N PRO A1009 -19.336 4.997 -4.390 1.00 0.00 N ATOM 1454 CA PRO A1009 -20.685 5.349 -4.859 1.00 0.00 C ATOM 1455 C PRO A1009 -21.733 4.282 -4.535 1.00 0.00 C ATOM 1456 O PRO A1009 -22.929 4.569 -4.499 1.00 0.00 O ATOM 1457 CB PRO A1009 -20.516 5.488 -6.375 1.00 0.00 C ATOM 1458 CG PRO A1009 -19.328 4.655 -6.705 1.00 0.00 C ATOM 1459 CD PRO A1009 -18.415 4.754 -5.517 1.00 0.00 C ATOM 0 HA PRO A1009 -21.051 6.251 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -21.402 5.140 -6.905 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -20.361 6.528 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.616 3.620 -6.892 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -18.836 5.017 -7.608 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.841 3.838 -5.375 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -17.697 5.566 -5.630 1.00 0.00 H new ATOM 1467 N THR A1010 -21.287 3.054 -4.291 1.00 0.00 N ATOM 1468 CA THR A1010 -22.210 1.958 -4.028 1.00 0.00 C ATOM 1469 C THR A1010 -22.575 1.871 -2.548 1.00 0.00 C ATOM 1470 O THR A1010 -23.502 1.158 -2.168 1.00 0.00 O ATOM 1471 CB THR A1010 -21.643 0.604 -4.509 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.358 0.354 -3.920 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.520 0.584 -6.023 1.00 0.00 C ATOM 0 H THR A1010 -20.301 2.795 -4.270 1.00 0.00 H new ATOM 0 HA THR A1010 -23.115 2.173 -4.596 1.00 0.00 H new ATOM 0 HB THR A1010 -22.335 -0.179 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A1010 -20.126 1.091 -3.317 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.119 -0.378 -6.343 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.503 0.734 -6.470 1.00 0.00 H new ATOM 0 HG23 THR A1010 -20.850 1.381 -6.344 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.844 2.602 -1.719 1.00 0.00 N ATOM 1482 CA ILE A1011 -22.121 2.646 -0.292 1.00 0.00 C ATOM 1483 C ILE A1011 -23.011 3.847 0.020 1.00 0.00 C ATOM 1484 O ILE A1011 -22.804 4.934 -0.518 1.00 0.00 O ATOM 1485 CB ILE A1011 -20.810 2.702 0.528 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -20.016 1.408 0.316 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -21.094 2.922 2.010 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -18.660 1.397 0.990 1.00 0.00 C ATOM 0 H ILE A1011 -21.052 3.174 -2.012 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.645 1.733 -0.008 1.00 0.00 H new ATOM 0 HB ILE A1011 -20.218 3.548 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -20.603 0.569 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -19.879 1.249 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -20.153 2.957 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -21.627 3.864 2.143 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -21.705 2.103 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -18.163 0.447 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -18.053 2.213 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -18.787 1.522 2.065 1.00 0.00 H new ATOM 1500 N GLN A1012 -24.008 3.641 0.871 1.00 0.00 N ATOM 1501 CA GLN A1012 -25.002 4.670 1.152 1.00 0.00 C ATOM 1502 C GLN A1012 -24.509 5.642 2.219 1.00 0.00 C ATOM 1503 O GLN A1012 -24.920 6.804 2.247 1.00 0.00 O ATOM 1504 CB GLN A1012 -26.317 4.027 1.591 1.00 0.00 C ATOM 1505 CG GLN A1012 -26.908 3.093 0.547 1.00 0.00 C ATOM 1506 CD GLN A1012 -28.188 2.431 1.014 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -28.944 3.000 1.802 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -28.446 1.228 0.530 1.00 0.00 N ATOM 0 H GLN A1012 -24.150 2.769 1.380 1.00 0.00 H new ATOM 0 HA GLN A1012 -25.169 5.235 0.235 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -26.151 3.471 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -27.039 4.811 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -27.106 3.654 -0.366 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -26.176 2.325 0.297 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -27.795 0.790 -0.121 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -29.297 0.738 0.808 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.637 5.163 3.098 1.00 0.00 N ATOM 1518 CA ASP A1013 -23.032 6.019 4.114 1.00 0.00 C ATOM 1519 C ASP A1013 -21.961 6.887 3.468 1.00 0.00 C ATOM 1520 O ASP A1013 -20.816 6.463 3.312 1.00 0.00 O ATOM 1521 CB ASP A1013 -22.418 5.182 5.243 1.00 0.00 C ATOM 1522 CG ASP A1013 -22.050 6.017 6.456 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -20.994 6.684 6.422 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -22.820 6.035 7.441 1.00 0.00 O ATOM 0 H ASP A1013 -23.333 4.190 3.129 1.00 0.00 H new ATOM 0 HA ASP A1013 -23.808 6.651 4.546 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -23.124 4.407 5.541 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -21.527 4.676 4.871 1.00 0.00 H new ATOM 1529 N GLN A1014 -22.344 8.094 3.076 1.00 0.00 N ATOM 1530 CA GLN A1014 -21.468 8.965 2.303 1.00 0.00 C ATOM 1531 C GLN A1014 -20.262 9.416 3.119 1.00 0.00 C ATOM 1532 O GLN A1014 -19.193 9.663 2.563 1.00 0.00 O ATOM 1533 CB GLN A1014 -22.243 10.176 1.777 1.00 0.00 C ATOM 1534 CG GLN A1014 -22.849 11.041 2.868 1.00 0.00 C ATOM 1535 CD GLN A1014 -23.692 12.168 2.313 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -24.291 12.044 1.245 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -23.725 13.280 3.025 1.00 0.00 N ATOM 0 H GLN A1014 -23.259 8.494 3.281 1.00 0.00 H new ATOM 0 HA GLN A1014 -21.097 8.390 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -21.574 10.788 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -23.039 9.828 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -23.463 10.420 3.521 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -22.051 11.457 3.482 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -23.213 13.337 3.905 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -24.263 14.081 2.695 1.00 0.00 H new ATOM 1546 N ALA A1015 -20.429 9.506 4.434 1.00 0.00 N ATOM 1547 CA ALA A1015 -19.334 9.895 5.314 1.00 0.00 C ATOM 1548 C ALA A1015 -18.201 8.880 5.236 1.00 0.00 C ATOM 1549 O ALA A1015 -17.042 9.238 5.008 1.00 0.00 O ATOM 1550 CB ALA A1015 -19.828 10.031 6.746 1.00 0.00 C ATOM 0 H ALA A1015 -21.309 9.315 4.913 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.953 10.862 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -18.999 10.322 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -20.607 10.792 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -20.233 9.077 7.083 1.00 0.00 H new ATOM 1556 N SER A1016 -18.551 7.613 5.407 1.00 0.00 N ATOM 1557 CA SER A1016 -17.578 6.534 5.345 1.00 0.00 C ATOM 1558 C SER A1016 -17.117 6.306 3.908 1.00 0.00 C ATOM 1559 O SER A1016 -15.969 5.932 3.664 1.00 0.00 O ATOM 1560 CB SER A1016 -18.190 5.259 5.917 1.00 0.00 C ATOM 1561 OG SER A1016 -18.733 5.490 7.207 1.00 0.00 O ATOM 0 H SER A1016 -19.507 7.307 5.591 1.00 0.00 H new ATOM 0 HA SER A1016 -16.707 6.810 5.939 1.00 0.00 H new ATOM 0 HB2 SER A1016 -18.971 4.895 5.250 1.00 0.00 H new ATOM 0 HB3 SER A1016 -17.430 4.480 5.973 1.00 0.00 H new ATOM 0 HG SER A1016 -19.591 5.955 7.122 1.00 0.00 H new ATOM 1567 N ALA A1017 -18.017 6.540 2.958 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.695 6.399 1.545 1.00 0.00 C ATOM 1569 C ALA A1017 -16.605 7.383 1.135 1.00 0.00 C ATOM 1570 O ALA A1017 -15.625 7.001 0.499 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.938 6.599 0.693 1.00 0.00 C ATOM 0 H ALA A1017 -18.977 6.829 3.144 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.320 5.388 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.679 6.490 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.687 5.854 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -19.341 7.597 0.866 1.00 0.00 H new ATOM 1577 N MET A1018 -16.768 8.643 1.524 1.00 0.00 N ATOM 1578 CA MET A1018 -15.789 9.677 1.196 1.00 0.00 C ATOM 1579 C MET A1018 -14.474 9.437 1.929 1.00 0.00 C ATOM 1580 O MET A1018 -13.418 9.910 1.503 1.00 0.00 O ATOM 1581 CB MET A1018 -16.329 11.070 1.529 1.00 0.00 C ATOM 1582 CG MET A1018 -17.497 11.504 0.655 1.00 0.00 C ATOM 1583 SD MET A1018 -17.089 11.523 -1.104 1.00 0.00 S ATOM 1584 CE MET A1018 -15.736 12.700 -1.127 1.00 0.00 C ATOM 0 H MET A1018 -17.566 8.974 2.066 1.00 0.00 H new ATOM 0 HA MET A1018 -15.603 9.625 0.123 1.00 0.00 H new ATOM 0 HB2 MET A1018 -16.643 11.087 2.573 1.00 0.00 H new ATOM 0 HB3 MET A1018 -15.522 11.796 1.427 1.00 0.00 H new ATOM 0 HG2 MET A1018 -18.338 10.831 0.821 1.00 0.00 H new ATOM 0 HG3 MET A1018 -17.821 12.499 0.958 1.00 0.00 H new ATOM 0 HE1 MET A1018 -15.563 13.035 -2.150 1.00 0.00 H new ATOM 0 HE2 MET A1018 -15.988 13.557 -0.502 1.00 0.00 H new ATOM 0 HE3 MET A1018 -14.833 12.224 -0.743 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.538 8.696 3.029 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.340 8.314 3.763 1.00 0.00 C ATOM 1596 C GLN A1019 -12.497 7.370 2.910 1.00 0.00 C ATOM 1597 O GLN A1019 -11.266 7.434 2.919 1.00 0.00 O ATOM 1598 CB GLN A1019 -13.719 7.655 5.095 1.00 0.00 C ATOM 1599 CG GLN A1019 -12.528 7.269 5.964 1.00 0.00 C ATOM 1600 CD GLN A1019 -11.670 8.455 6.374 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -12.277 9.626 6.501 1.00 0.00 O flip ATOM 1602 NE2 GLN A1019 -10.463 8.317 6.578 1.00 0.00 N flip ATOM 0 H GLN A1019 -15.408 8.348 3.432 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.753 9.205 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -14.357 8.337 5.656 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -14.309 6.762 4.890 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -12.890 6.765 6.860 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -11.910 6.553 5.423 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -10.029 7.400 6.471 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -9.897 9.120 6.854 1.00 0.00 H new ATOM 1611 N LEU A1020 -13.175 6.510 2.156 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.509 5.608 1.224 1.00 0.00 C ATOM 1613 C LEU A1020 -11.822 6.390 0.115 1.00 0.00 C ATOM 1614 O LEU A1020 -10.671 6.118 -0.226 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.514 4.628 0.616 1.00 0.00 C ATOM 1616 CG LEU A1020 -13.815 3.398 1.470 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -14.956 2.597 0.864 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -12.567 2.542 1.588 1.00 0.00 C ATOM 0 H LEU A1020 -14.191 6.419 2.173 1.00 0.00 H new ATOM 0 HA LEU A1020 -11.756 5.048 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.448 5.158 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.136 4.296 -0.351 1.00 0.00 H new ATOM 0 HG LEU A1020 -14.119 3.721 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -15.158 1.724 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -15.850 3.219 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.680 2.273 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -12.784 1.665 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.249 2.224 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -11.771 3.122 2.056 1.00 0.00 H new ATOM 1630 N SER A1021 -12.534 7.368 -0.432 1.00 0.00 N ATOM 1631 CA SER A1021 -12.012 8.218 -1.485 1.00 0.00 C ATOM 1632 C SER A1021 -10.707 8.889 -1.054 1.00 0.00 C ATOM 1633 O SER A1021 -9.771 9.030 -1.848 1.00 0.00 O ATOM 1634 CB SER A1021 -13.063 9.271 -1.814 1.00 0.00 C ATOM 1635 OG SER A1021 -14.367 8.742 -1.659 1.00 0.00 O ATOM 0 H SER A1021 -13.490 7.591 -0.155 1.00 0.00 H new ATOM 0 HA SER A1021 -11.794 7.613 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A1021 -12.936 10.135 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A1021 -12.926 9.621 -2.837 1.00 0.00 H new ATOM 0 HG SER A1021 -15.027 9.412 -1.934 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.652 9.282 0.214 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.475 9.936 0.769 1.00 0.00 C ATOM 1643 C GLN A1022 -8.339 8.937 0.975 1.00 0.00 C ATOM 1644 O GLN A1022 -7.205 9.176 0.554 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.818 10.611 2.100 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.685 11.452 2.665 1.00 0.00 C ATOM 1647 CD GLN A1022 -8.293 12.597 1.749 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -9.257 13.136 1.016 1.00 0.00 O flip ATOM 1649 NE2 GLN A1022 -7.130 13.002 1.708 1.00 0.00 N flip ATOM 0 H GLN A1022 -11.415 9.157 0.880 1.00 0.00 H new ATOM 0 HA GLN A1022 -9.146 10.693 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.695 11.243 1.962 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -10.089 9.845 2.827 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -8.984 11.853 3.634 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -7.817 10.816 2.837 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -6.416 12.561 2.288 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -6.882 13.778 1.095 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.653 7.817 1.616 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.650 6.802 1.917 1.00 0.00 C ATOM 1660 C CYS A1023 -7.035 6.241 0.639 1.00 0.00 C ATOM 1661 O CYS A1023 -5.816 6.079 0.545 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.271 5.678 2.745 1.00 0.00 C ATOM 1663 SG CYS A1023 -8.956 6.221 4.328 1.00 0.00 S ATOM 0 H CYS A1023 -9.594 7.589 1.937 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.854 7.271 2.496 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -9.061 5.206 2.162 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.513 4.917 2.931 1.00 0.00 H new ATOM 0 HG CYS A1023 -10.073 6.854 4.123 1.00 0.00 H new ATOM 1669 N ALA A1024 -7.879 5.973 -0.354 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.420 5.462 -1.638 1.00 0.00 C ATOM 1671 C ALA A1024 -6.476 6.452 -2.319 1.00 0.00 C ATOM 1672 O ALA A1024 -5.563 6.057 -3.042 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.605 5.154 -2.541 1.00 0.00 C ATOM 0 H ALA A1024 -8.889 6.103 -0.291 1.00 0.00 H new ATOM 0 HA ALA A1024 -6.868 4.540 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.245 4.773 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.238 4.404 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.182 6.064 -2.707 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.696 7.738 -2.081 1.00 0.00 N ATOM 1680 CA LYS A1025 -5.833 8.768 -2.642 1.00 0.00 C ATOM 1681 C LYS A1025 -4.459 8.708 -1.990 1.00 0.00 C ATOM 1682 O LYS A1025 -3.436 8.681 -2.674 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.446 10.155 -2.440 1.00 0.00 C ATOM 1684 CG LYS A1025 -5.680 11.266 -3.142 1.00 0.00 C ATOM 1685 CD LYS A1025 -6.337 12.621 -2.932 1.00 0.00 C ATOM 1686 CE LYS A1025 -6.176 13.115 -1.503 1.00 0.00 C ATOM 1687 NZ LYS A1025 -4.760 13.444 -1.182 1.00 0.00 N ATOM 0 H LYS A1025 -7.461 8.091 -1.506 1.00 0.00 H new ATOM 0 HA LYS A1025 -5.730 8.587 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -7.473 10.146 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -6.489 10.372 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -4.657 11.296 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -5.623 11.051 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -5.900 13.346 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -7.397 12.552 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -6.796 13.999 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -6.536 12.352 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -4.723 13.992 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -4.217 12.565 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -4.350 14.006 -1.955 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.452 8.662 -0.663 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.212 8.608 0.105 1.00 0.00 C ATOM 1703 C ASN A1026 -2.429 7.342 -0.226 1.00 0.00 C ATOM 1704 O ASN A1026 -1.216 7.386 -0.431 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.510 8.665 1.608 1.00 0.00 C ATOM 1706 CG ASN A1026 -4.155 9.973 2.028 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -3.894 11.028 1.447 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -5.012 9.919 3.037 1.00 0.00 N ATOM 0 H ASN A1026 -5.297 8.661 -0.092 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.606 9.472 -0.166 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -4.168 7.838 1.875 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.582 8.527 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -5.479 10.768 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -5.205 9.028 3.495 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.138 6.220 -0.285 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.540 4.941 -0.649 1.00 0.00 C ATOM 1717 C LEU A1027 -2.024 4.983 -2.087 1.00 0.00 C ATOM 1718 O LEU A1027 -0.951 4.465 -2.387 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.571 3.815 -0.479 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.083 2.403 -0.820 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -1.885 2.026 0.038 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.213 1.394 -0.635 1.00 0.00 C ATOM 0 H LEU A1027 -4.137 6.171 -0.083 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.695 4.746 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -3.917 3.819 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.434 4.041 -1.105 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.771 2.389 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.555 1.020 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.073 2.731 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.167 2.056 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -3.853 0.395 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.552 1.413 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.043 1.652 -1.293 1.00 0.00 H new ATOM 1734 N GLY A1028 -2.788 5.622 -2.964 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.388 5.749 -4.355 1.00 0.00 C ATOM 1736 C GLY A1028 -1.119 6.565 -4.517 1.00 0.00 C ATOM 1737 O GLY A1028 -0.255 6.228 -5.328 1.00 0.00 O ATOM 0 H GLY A1028 -3.682 6.057 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.236 4.756 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.193 6.217 -4.921 1.00 0.00 H new ATOM 1741 N THR A1029 -1.006 7.641 -3.751 1.00 0.00 N ATOM 1742 CA THR A1029 0.190 8.472 -3.770 1.00 0.00 C ATOM 1743 C THR A1029 1.354 7.744 -3.101 1.00 0.00 C ATOM 1744 O THR A1029 2.513 7.900 -3.495 1.00 0.00 O ATOM 1745 CB THR A1029 -0.063 9.807 -3.052 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.262 10.408 -3.556 1.00 0.00 O ATOM 1747 CG2 THR A1029 1.102 10.766 -3.244 1.00 0.00 C ATOM 0 H THR A1029 -1.730 7.960 -3.107 1.00 0.00 H new ATOM 0 HA THR A1029 0.443 8.674 -4.811 1.00 0.00 H new ATOM 0 HB THR A1029 -0.169 9.603 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A1029 -2.039 9.894 -3.251 1.00 0.00 H new ATOM 0 HG21 THR A1029 0.893 11.701 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A1029 2.010 10.321 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A1029 1.239 10.964 -4.307 1.00 0.00 H new ATOM 1755 N ALA A1030 1.032 6.946 -2.086 1.00 0.00 N ATOM 1756 CA ALA A1030 2.021 6.118 -1.414 1.00 0.00 C ATOM 1757 C ALA A1030 2.632 5.132 -2.400 1.00 0.00 C ATOM 1758 O ALA A1030 3.851 5.023 -2.511 1.00 0.00 O ATOM 1759 CB ALA A1030 1.384 5.385 -0.242 1.00 0.00 C ATOM 0 H ALA A1030 0.087 6.858 -1.712 1.00 0.00 H new ATOM 0 HA ALA A1030 2.815 6.756 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A1030 2.134 4.769 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A1030 0.985 6.110 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.576 4.751 -0.606 1.00 0.00 H new ATOM 1765 N LEU A1031 1.767 4.438 -3.134 1.00 0.00 N ATOM 1766 CA LEU A1031 2.201 3.501 -4.164 1.00 0.00 C ATOM 1767 C LEU A1031 2.968 4.223 -5.263 1.00 0.00 C ATOM 1768 O LEU A1031 3.907 3.679 -5.840 1.00 0.00 O ATOM 1769 CB LEU A1031 0.994 2.785 -4.770 1.00 0.00 C ATOM 1770 CG LEU A1031 0.188 1.930 -3.795 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.047 1.371 -4.479 1.00 0.00 C ATOM 1772 CD2 LEU A1031 1.045 0.806 -3.242 1.00 0.00 C ATOM 0 H LEU A1031 0.754 4.508 -3.033 1.00 0.00 H new ATOM 0 HA LEU A1031 2.860 2.768 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.331 3.531 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.340 2.149 -5.585 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.132 2.559 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.611 0.764 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.671 2.192 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.746 0.755 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.455 0.206 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.393 0.177 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.903 1.227 -2.718 1.00 0.00 H new ATOM 1784 N ALA A1032 2.558 5.454 -5.537 1.00 0.00 N ATOM 1785 CA ALA A1032 3.183 6.273 -6.567 1.00 0.00 C ATOM 1786 C ALA A1032 4.678 6.436 -6.317 1.00 0.00 C ATOM 1787 O ALA A1032 5.501 6.112 -7.177 1.00 0.00 O ATOM 1788 CB ALA A1032 2.502 7.635 -6.632 1.00 0.00 C ATOM 0 H ALA A1032 1.785 5.912 -5.053 1.00 0.00 H new ATOM 0 HA ALA A1032 3.062 5.766 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A1032 2.975 8.242 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.446 7.503 -6.870 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.597 8.136 -5.668 1.00 0.00 H new ATOM 1794 N GLU A1033 5.034 6.917 -5.133 1.00 0.00 N ATOM 1795 CA GLU A1033 6.436 7.141 -4.810 1.00 0.00 C ATOM 1796 C GLU A1033 7.127 5.833 -4.456 1.00 0.00 C ATOM 1797 O GLU A1033 8.329 5.690 -4.661 1.00 0.00 O ATOM 1798 CB GLU A1033 6.583 8.160 -3.680 1.00 0.00 C ATOM 1799 CG GLU A1033 5.883 7.771 -2.392 1.00 0.00 C ATOM 1800 CD GLU A1033 5.867 8.905 -1.394 1.00 0.00 C ATOM 1801 OE1 GLU A1033 6.883 9.100 -0.692 1.00 0.00 O ATOM 1802 OE2 GLU A1033 4.847 9.621 -1.325 1.00 0.00 O ATOM 0 H GLU A1033 4.380 7.157 -4.388 1.00 0.00 H new ATOM 0 HA GLU A1033 6.923 7.551 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.643 8.305 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.190 9.119 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.860 7.467 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.384 6.908 -1.953 1.00 0.00 H new ATOM 1809 N LEU A1034 6.361 4.872 -3.947 1.00 0.00 N ATOM 1810 CA LEU A1034 6.893 3.544 -3.662 1.00 0.00 C ATOM 1811 C LEU A1034 7.402 2.903 -4.950 1.00 0.00 C ATOM 1812 O LEU A1034 8.510 2.372 -4.996 1.00 0.00 O ATOM 1813 CB LEU A1034 5.818 2.660 -3.022 1.00 0.00 C ATOM 1814 CG LEU A1034 6.290 1.280 -2.560 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.314 1.410 -1.442 1.00 0.00 C ATOM 1816 CD2 LEU A1034 5.109 0.436 -2.104 1.00 0.00 C ATOM 0 H LEU A1034 5.372 4.988 -3.724 1.00 0.00 H new ATOM 0 HA LEU A1034 7.721 3.642 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.401 3.188 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A1034 5.008 2.527 -3.739 1.00 0.00 H new ATOM 0 HG LEU A1034 6.765 0.781 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.637 0.418 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.174 1.975 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A1034 6.865 1.930 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.464 -0.542 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.605 0.933 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.410 0.312 -2.931 1.00 0.00 H new ATOM 1828 N ARG A1035 6.590 2.985 -5.998 1.00 0.00 N ATOM 1829 CA ARG A1035 6.962 2.462 -7.307 1.00 0.00 C ATOM 1830 C ARG A1035 8.138 3.245 -7.888 1.00 0.00 C ATOM 1831 O ARG A1035 9.011 2.680 -8.549 1.00 0.00 O ATOM 1832 CB ARG A1035 5.764 2.517 -8.261 1.00 0.00 C ATOM 1833 CG ARG A1035 6.094 2.107 -9.688 1.00 0.00 C ATOM 1834 CD ARG A1035 4.873 2.172 -10.588 1.00 0.00 C ATOM 1835 NE ARG A1035 3.921 1.098 -10.311 1.00 0.00 N ATOM 1836 CZ ARG A1035 2.636 1.294 -10.007 1.00 0.00 C ATOM 1837 NH1 ARG A1035 2.158 2.527 -9.863 1.00 0.00 N ATOM 1838 NH2 ARG A1035 1.826 0.257 -9.836 1.00 0.00 N ATOM 0 H ARG A1035 5.664 3.412 -5.965 1.00 0.00 H new ATOM 0 HA ARG A1035 7.268 1.423 -7.187 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.977 1.866 -7.879 1.00 0.00 H new ATOM 0 HB3 ARG A1035 5.364 3.531 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG A1035 6.872 2.760 -10.083 1.00 0.00 H new ATOM 0 HG3 ARG A1035 6.495 1.094 -9.692 1.00 0.00 H new ATOM 0 HD2 ARG A1035 4.379 3.135 -10.457 1.00 0.00 H new ATOM 0 HD3 ARG A1035 5.189 2.115 -11.630 1.00 0.00 H new ATOM 0 HE ARG A1035 4.260 0.137 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A1035 2.774 3.330 -9.985 1.00 0.00 H new ATOM 0 HH12 ARG A1035 1.175 2.669 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A1035 2.185 -0.692 -9.937 1.00 0.00 H new ATOM 0 HH22 ARG A1035 0.845 0.409 -9.604 1.00 0.00 H new ATOM 1852 N THR A1036 8.159 4.546 -7.629 1.00 0.00 N ATOM 1853 CA THR A1036 9.234 5.400 -8.112 1.00 0.00 C ATOM 1854 C THR A1036 10.552 5.047 -7.421 1.00 0.00 C ATOM 1855 O THR A1036 11.578 4.845 -8.078 1.00 0.00 O ATOM 1856 CB THR A1036 8.908 6.889 -7.874 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.635 7.212 -8.456 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.982 7.783 -8.475 1.00 0.00 C ATOM 0 H THR A1036 7.444 5.032 -7.088 1.00 0.00 H new ATOM 0 HA THR A1036 9.335 5.231 -9.184 1.00 0.00 H new ATOM 0 HB THR A1036 8.873 7.061 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.921 6.779 -7.942 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.729 8.828 -8.294 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.943 7.557 -8.014 1.00 0.00 H new ATOM 0 HG23 THR A1036 10.044 7.606 -9.549 1.00 0.00 H new ATOM 1866 N ALA A1037 10.506 4.948 -6.098 1.00 0.00 N ATOM 1867 CA ALA A1037 11.689 4.647 -5.307 1.00 0.00 C ATOM 1868 C ALA A1037 12.200 3.240 -5.594 1.00 0.00 C ATOM 1869 O ALA A1037 13.402 3.038 -5.765 1.00 0.00 O ATOM 1870 CB ALA A1037 11.389 4.813 -3.824 1.00 0.00 C ATOM 0 H ALA A1037 9.655 5.073 -5.549 1.00 0.00 H new ATOM 0 HA ALA A1037 12.472 5.351 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A1037 12.283 4.584 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A1037 11.082 5.840 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.587 4.133 -3.537 1.00 0.00 H new ATOM 1876 N ALA A1038 11.282 2.279 -5.661 1.00 0.00 N ATOM 1877 CA ALA A1038 11.640 0.882 -5.895 1.00 0.00 C ATOM 1878 C ALA A1038 12.374 0.714 -7.217 1.00 0.00 C ATOM 1879 O ALA A1038 13.330 -0.054 -7.308 1.00 0.00 O ATOM 1880 CB ALA A1038 10.400 0.000 -5.871 1.00 0.00 C ATOM 0 H ALA A1038 10.281 2.443 -5.556 1.00 0.00 H new ATOM 0 HA ALA A1038 12.309 0.573 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.687 -1.037 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A1038 9.914 0.082 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.709 0.322 -6.650 1.00 0.00 H new ATOM 1886 N GLN A1039 11.930 1.446 -8.231 1.00 0.00 N ATOM 1887 CA GLN A1039 12.525 1.357 -9.557 1.00 0.00 C ATOM 1888 C GLN A1039 14.004 1.728 -9.520 1.00 0.00 C ATOM 1889 O GLN A1039 14.853 0.963 -9.976 1.00 0.00 O ATOM 1890 CB GLN A1039 11.783 2.264 -10.540 1.00 0.00 C ATOM 1891 CG GLN A1039 12.357 2.235 -11.949 1.00 0.00 C ATOM 1892 CD GLN A1039 11.527 3.037 -12.928 1.00 0.00 C ATOM 1893 OE1 GLN A1039 10.311 3.162 -12.770 1.00 0.00 O ATOM 1894 NE2 GLN A1039 12.169 3.578 -13.949 1.00 0.00 N ATOM 0 H GLN A1039 11.158 2.109 -8.159 1.00 0.00 H new ATOM 0 HA GLN A1039 12.438 0.324 -9.893 1.00 0.00 H new ATOM 0 HB2 GLN A1039 10.735 1.965 -10.577 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.809 3.288 -10.167 1.00 0.00 H new ATOM 0 HG2 GLN A1039 13.374 2.628 -11.932 1.00 0.00 H new ATOM 0 HG3 GLN A1039 12.420 1.202 -12.291 1.00 0.00 H new ATOM 0 HE21 GLN A1039 13.177 3.451 -14.043 1.00 0.00 H new ATOM 0 HE22 GLN A1039 11.657 4.123 -14.643 1.00 0.00 H new ATOM 1903 N LYS A1040 14.312 2.889 -8.955 1.00 0.00 N ATOM 1904 CA LYS A1040 15.685 3.372 -8.918 1.00 0.00 C ATOM 1905 C LYS A1040 16.519 2.582 -7.914 1.00 0.00 C ATOM 1906 O LYS A1040 17.710 2.354 -8.129 1.00 0.00 O ATOM 1907 CB LYS A1040 15.736 4.865 -8.580 1.00 0.00 C ATOM 1908 CG LYS A1040 15.026 5.751 -9.594 1.00 0.00 C ATOM 1909 CD LYS A1040 15.435 7.211 -9.444 1.00 0.00 C ATOM 1910 CE LYS A1040 15.105 7.756 -8.063 1.00 0.00 C ATOM 1911 NZ LYS A1040 15.667 9.119 -7.858 1.00 0.00 N ATOM 0 H LYS A1040 13.632 3.511 -8.518 1.00 0.00 H new ATOM 0 HA LYS A1040 16.108 3.226 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A1040 15.288 5.021 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A1040 16.778 5.176 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A1040 15.258 5.409 -10.603 1.00 0.00 H new ATOM 0 HG3 LYS A1040 13.947 5.659 -9.466 1.00 0.00 H new ATOM 0 HD2 LYS A1040 16.505 7.308 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A1040 14.927 7.809 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS A1040 14.023 7.786 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A1040 15.499 7.082 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 15.421 9.456 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 16.702 9.086 -7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 15.271 9.768 -8.568 1.00 0.00 H new ATOM 1925 N ALA A1041 15.887 2.157 -6.828 1.00 0.00 N ATOM 1926 CA ALA A1041 16.575 1.394 -5.792 1.00 0.00 C ATOM 1927 C ALA A1041 16.957 0.011 -6.301 1.00 0.00 C ATOM 1928 O ALA A1041 17.954 -0.568 -5.879 1.00 0.00 O ATOM 1929 CB ALA A1041 15.703 1.280 -4.553 1.00 0.00 C ATOM 0 H ALA A1041 14.899 2.327 -6.640 1.00 0.00 H new ATOM 0 HA ALA A1041 17.490 1.924 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.230 0.708 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.481 2.277 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A1041 14.772 0.773 -4.808 1.00 0.00 H new ATOM 1935 N GLN A1042 16.158 -0.504 -7.225 1.00 0.00 N ATOM 1936 CA GLN A1042 16.401 -1.814 -7.816 1.00 0.00 C ATOM 1937 C GLN A1042 17.624 -1.777 -8.732 1.00 0.00 C ATOM 1938 O GLN A1042 18.194 -2.813 -9.076 1.00 0.00 O ATOM 1939 CB GLN A1042 15.161 -2.261 -8.593 1.00 0.00 C ATOM 1940 CG GLN A1042 15.244 -3.673 -9.145 1.00 0.00 C ATOM 1941 CD GLN A1042 13.956 -4.109 -9.812 1.00 0.00 C ATOM 1942 OE1 GLN A1042 13.210 -3.290 -10.353 1.00 0.00 O ATOM 1943 NE2 GLN A1042 13.688 -5.402 -9.784 1.00 0.00 N ATOM 0 H GLN A1042 15.329 -0.031 -7.584 1.00 0.00 H new ATOM 0 HA GLN A1042 16.602 -2.530 -7.019 1.00 0.00 H new ATOM 0 HB2 GLN A1042 14.292 -2.190 -7.939 1.00 0.00 H new ATOM 0 HB3 GLN A1042 14.996 -1.570 -9.419 1.00 0.00 H new ATOM 0 HG2 GLN A1042 16.060 -3.731 -9.865 1.00 0.00 H new ATOM 0 HG3 GLN A1042 15.483 -4.363 -8.336 1.00 0.00 H new ATOM 0 HE21 GLN A1042 14.332 -6.047 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A1042 12.837 -5.756 -10.221 1.00 0.00 H new