USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=26 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 930 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0.24) USER MOD Set 1.2: A1023 CYS SG : rot 74:sc= 0.244 USER MOD Set 2.1: A1022 GLN : amide:sc= 0.269 K(o=0.6,f=-0.42) USER MOD Set 2.2: A1025 LYS NZ :NH3+ 142:sc= 0.333 (180deg=0) USER MOD Set 3.1: A1018 MET CE :methyl 136:sc= -2.1! (180deg=-4.84!) USER MOD Set 3.2: A1021 SER OG : rot 93:sc= 0.622 USER MOD Set 4.1: A 973 SER OG : rot 114:sc= 1.53 USER MOD Set 4.2: A 983 GLN : amide:sc= -1.92! C(o=-0.39!,f=-1.1!) USER MOD Set 5.1: A 936 GLN : amide:sc= -0.0213 K(o=-3.3,f=-4) USER MOD Set 5.2: A 956 CYS SG : rot -5:sc= -3.27! USER MOD Single : A 915 GLN :FLIP amide:sc= -1 F(o=-2.8!,f=-1) USER MOD Single : A 919 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 922 LYS NZ :NH3+ -177:sc= 0.763 (180deg=0.748) USER MOD Single : A 923 GLN :FLIP amide:sc= -0.966 F(o=-2.3!,f=-0.97) USER MOD Single : A 927 SER OG : rot 77:sc= 0.0102 USER MOD Single : A 929 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 931 THR OG1 : rot 72:sc= -0.366! USER MOD Single : A 937 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 954 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 955 SER OG : rot 73:sc= 0.117 USER MOD Single : A 957 LYS NZ :NH3+ 170:sc=-0.00664 (180deg=-0.117) USER MOD Single : A 962 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.9!) USER MOD Single : A 968 GLN : amide:sc= -0.237 K(o=-0.24,f=-0.87) USER MOD Single : A 974 GLN : amide:sc= 0.642 K(o=0.64,f=-6.3!) USER MOD Single : A 976 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 979 SER OG : rot 170:sc= 0 USER MOD Single : A 981 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 990 SER OG : rot 77:sc= 1.26 USER MOD Single : A 991 GLN : amide:sc= -0.672 X(o=-0.67,f=-0.26) USER MOD Single : A 992 SER OG : rot -23:sc= 0.331 USER MOD Single : A 995 GLN : amide:sc= 0.114 X(o=0.11,f=-0.11) USER MOD Single : A 999 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1000 MET CE :methyl 151:sc= -2.07 (180deg=-3.95!) USER MOD Single : A1005 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1010 THR OG1 : rot -7:sc= 1.25 USER MOD Single : A1012 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A1014 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1) USER MOD Single : A1016 SER OG : rot 92:sc= 1.23 USER MOD Single : A1019 GLN : amide:sc= -2.15! C(o=-2.1!,f=-2.2!) USER MOD Single : A1026 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A1029 THR OG1 : rot 180:sc= 0 USER MOD Single : A1036 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A1039 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A1040 LYS NZ :NH3+ 149:sc= -1.42 (180deg=-3.43!) USER MOD Single : A1042 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 913 18.905 5.636 -1.670 1.00 0.00 N ATOM 90 CA LEU A 913 17.817 5.169 -2.510 1.00 0.00 C ATOM 91 C LEU A 913 16.888 4.277 -1.703 1.00 0.00 C ATOM 92 O LEU A 913 15.704 4.151 -2.010 1.00 0.00 O ATOM 93 CB LEU A 913 18.369 4.408 -3.716 1.00 0.00 C ATOM 94 CG LEU A 913 19.237 5.241 -4.661 1.00 0.00 C ATOM 95 CD1 LEU A 913 19.927 4.349 -5.675 1.00 0.00 C ATOM 96 CD2 LEU A 913 18.395 6.287 -5.371 1.00 0.00 C ATOM 0 HA LEU A 913 17.254 6.029 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.956 3.563 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.533 3.997 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 913 19.999 5.748 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.540 4.959 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.560 3.630 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 913 19.178 3.816 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 913 19.028 6.871 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 913 17.614 5.794 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 913 17.938 6.948 -4.634 1.00 0.00 H new ATOM 108 N VAL A 914 17.431 3.683 -0.649 1.00 0.00 N ATOM 109 CA VAL A 914 16.670 2.758 0.174 1.00 0.00 C ATOM 110 C VAL A 914 15.903 3.478 1.286 1.00 0.00 C ATOM 111 O VAL A 914 14.858 3.004 1.721 1.00 0.00 O ATOM 112 CB VAL A 914 17.574 1.658 0.776 1.00 0.00 C ATOM 113 CG1 VAL A 914 18.310 0.921 -0.332 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.563 2.236 1.780 1.00 0.00 C ATOM 0 H VAL A 914 18.394 3.826 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 914 15.942 2.284 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 914 16.936 0.953 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 914 18.944 0.148 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 914 17.587 0.460 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 914 18.927 1.625 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 914 19.182 1.435 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 914 19.198 2.971 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 914 18.018 2.717 2.592 1.00 0.00 H new ATOM 124 N GLN A 915 16.399 4.632 1.735 1.00 0.00 N ATOM 125 CA GLN A 915 15.709 5.382 2.786 1.00 0.00 C ATOM 126 C GLN A 915 14.394 5.949 2.281 1.00 0.00 C ATOM 127 O GLN A 915 13.380 5.902 2.978 1.00 0.00 O ATOM 128 CB GLN A 915 16.579 6.506 3.354 1.00 0.00 C ATOM 129 CG GLN A 915 17.673 6.011 4.284 1.00 0.00 C ATOM 130 CD GLN A 915 17.192 4.902 5.199 1.00 0.00 C ATOM 131 OE1 GLN A 915 17.369 3.666 4.762 1.00 0.00 O flip ATOM 132 NE2 GLN A 915 16.677 5.150 6.287 1.00 0.00 N flip ATOM 0 H GLN A 915 17.259 5.062 1.395 1.00 0.00 H new ATOM 0 HA GLN A 915 15.503 4.677 3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 915 17.034 7.055 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 915 15.944 7.209 3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 915 18.515 5.651 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 915 18.039 6.843 4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 915 16.559 6.118 6.587 1.00 0.00 H new ATOM 0 HE22 GLN A 915 16.368 4.388 6.890 1.00 0.00 H new ATOM 141 N ARG A 916 14.406 6.471 1.066 1.00 0.00 N ATOM 142 CA ARG A 916 13.187 6.988 0.462 1.00 0.00 C ATOM 143 C ARG A 916 12.225 5.834 0.184 1.00 0.00 C ATOM 144 O ARG A 916 11.005 6.004 0.197 1.00 0.00 O ATOM 145 CB ARG A 916 13.509 7.770 -0.817 1.00 0.00 C ATOM 146 CG ARG A 916 14.071 6.923 -1.944 1.00 0.00 C ATOM 147 CD ARG A 916 14.589 7.789 -3.080 1.00 0.00 C ATOM 148 NE ARG A 916 15.879 8.406 -2.764 1.00 0.00 N ATOM 149 CZ ARG A 916 16.255 9.611 -3.194 1.00 0.00 C ATOM 150 NH1 ARG A 916 15.378 10.416 -3.780 1.00 0.00 N ATOM 151 NH2 ARG A 916 17.497 10.036 -3.000 1.00 0.00 N ATOM 0 H ARG A 916 15.238 6.548 0.482 1.00 0.00 H new ATOM 0 HA ARG A 916 12.706 7.679 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 916 12.601 8.262 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 916 14.225 8.556 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 916 14.878 6.297 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 916 13.297 6.253 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 916 14.690 7.182 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 916 13.860 8.569 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 916 16.530 7.882 -2.179 1.00 0.00 H new ATOM 0 HH11 ARG A 916 14.412 10.114 -3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 916 15.670 11.337 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 916 18.171 9.440 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 916 17.778 10.959 -3.332 1.00 0.00 H new ATOM 165 N LEU A 917 12.793 4.649 -0.028 1.00 0.00 N ATOM 166 CA LEU A 917 12.010 3.438 -0.214 1.00 0.00 C ATOM 167 C LEU A 917 11.327 3.076 1.105 1.00 0.00 C ATOM 168 O LEU A 917 10.112 2.894 1.152 1.00 0.00 O ATOM 169 CB LEU A 917 12.919 2.292 -0.684 1.00 0.00 C ATOM 170 CG LEU A 917 12.288 1.279 -1.646 1.00 0.00 C ATOM 171 CD1 LEU A 917 13.325 0.258 -2.082 1.00 0.00 C ATOM 172 CD2 LEU A 917 11.099 0.576 -1.012 1.00 0.00 C ATOM 0 H LEU A 917 13.802 4.505 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 917 11.249 3.605 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.794 2.725 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 917 13.275 1.754 0.195 1.00 0.00 H new ATOM 0 HG LEU A 917 11.929 1.825 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 917 12.867 -0.457 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 917 14.147 0.767 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 917 13.707 -0.269 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 917 10.676 -0.135 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 917 11.425 0.045 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.342 1.313 -0.742 1.00 0.00 H new ATOM 184 N GLU A 918 12.119 3.003 2.178 1.00 0.00 N ATOM 185 CA GLU A 918 11.595 2.745 3.520 1.00 0.00 C ATOM 186 C GLU A 918 10.495 3.738 3.880 1.00 0.00 C ATOM 187 O GLU A 918 9.498 3.380 4.514 1.00 0.00 O ATOM 188 CB GLU A 918 12.698 2.855 4.573 1.00 0.00 C ATOM 189 CG GLU A 918 13.694 1.710 4.580 1.00 0.00 C ATOM 190 CD GLU A 918 14.621 1.793 5.776 1.00 0.00 C ATOM 191 OE1 GLU A 918 14.119 2.024 6.897 1.00 0.00 O ATOM 192 OE2 GLU A 918 15.848 1.668 5.605 1.00 0.00 O ATOM 0 H GLU A 918 13.132 3.120 2.142 1.00 0.00 H new ATOM 0 HA GLU A 918 11.192 1.732 3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.240 3.787 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.235 2.920 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 918 13.159 0.760 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.280 1.729 3.661 1.00 0.00 H new ATOM 199 N HIS A 919 10.702 4.990 3.500 1.00 0.00 N ATOM 200 CA HIS A 919 9.750 6.051 3.796 1.00 0.00 C ATOM 201 C HIS A 919 8.413 5.763 3.125 1.00 0.00 C ATOM 202 O HIS A 919 7.364 5.792 3.771 1.00 0.00 O ATOM 203 CB HIS A 919 10.301 7.396 3.318 1.00 0.00 C ATOM 204 CG HIS A 919 9.677 8.582 3.986 1.00 0.00 C ATOM 205 ND1 HIS A 919 10.330 9.322 4.946 1.00 0.00 N ATOM 206 CD2 HIS A 919 8.465 9.165 3.825 1.00 0.00 C ATOM 207 CE1 HIS A 919 9.549 10.303 5.350 1.00 0.00 C ATOM 208 NE2 HIS A 919 8.414 10.232 4.685 1.00 0.00 N ATOM 0 H HIS A 919 11.526 5.298 2.983 1.00 0.00 H new ATOM 0 HA HIS A 919 9.596 6.095 4.874 1.00 0.00 H new ATOM 0 HB2 HIS A 919 11.377 7.419 3.491 1.00 0.00 H new ATOM 0 HB3 HIS A 919 10.150 7.477 2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 919 7.686 8.849 3.147 1.00 0.00 H new ATOM 0 HE1 HIS A 919 9.797 11.040 6.099 1.00 0.00 H new ATOM 0 HE2 HIS A 919 7.624 10.868 4.792 1.00 0.00 H new ATOM 216 N ALA A 920 8.462 5.466 1.834 1.00 0.00 N ATOM 217 CA ALA A 920 7.260 5.179 1.068 1.00 0.00 C ATOM 218 C ALA A 920 6.615 3.872 1.522 1.00 0.00 C ATOM 219 O ALA A 920 5.400 3.799 1.683 1.00 0.00 O ATOM 220 CB ALA A 920 7.581 5.127 -0.417 1.00 0.00 C ATOM 0 H ALA A 920 9.326 5.418 1.294 1.00 0.00 H new ATOM 0 HA ALA A 920 6.546 5.983 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 920 6.672 4.911 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 920 7.985 6.088 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.317 4.344 -0.603 1.00 0.00 H new ATOM 226 N ALA A 921 7.439 2.856 1.753 1.00 0.00 N ATOM 227 CA ALA A 921 6.953 1.533 2.136 1.00 0.00 C ATOM 228 C ALA A 921 6.133 1.572 3.421 1.00 0.00 C ATOM 229 O ALA A 921 5.035 1.017 3.479 1.00 0.00 O ATOM 230 CB ALA A 921 8.119 0.568 2.287 1.00 0.00 C ATOM 0 H ALA A 921 8.454 2.923 1.681 1.00 0.00 H new ATOM 0 HA ALA A 921 6.295 1.185 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.743 -0.415 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.653 0.491 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.798 0.935 3.057 1.00 0.00 H new ATOM 236 N LYS A 922 6.655 2.237 4.444 1.00 0.00 N ATOM 237 CA LYS A 922 5.985 2.266 5.739 1.00 0.00 C ATOM 238 C LYS A 922 4.674 3.044 5.669 1.00 0.00 C ATOM 239 O LYS A 922 3.664 2.610 6.225 1.00 0.00 O ATOM 240 CB LYS A 922 6.891 2.863 6.817 1.00 0.00 C ATOM 241 CG LYS A 922 8.147 2.047 7.077 1.00 0.00 C ATOM 242 CD LYS A 922 8.868 2.502 8.339 1.00 0.00 C ATOM 243 CE LYS A 922 9.257 3.969 8.277 1.00 0.00 C ATOM 244 NZ LYS A 922 10.229 4.242 7.192 1.00 0.00 N ATOM 0 H LYS A 922 7.531 2.758 4.404 1.00 0.00 H new ATOM 0 HA LYS A 922 5.759 1.234 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.178 3.872 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.327 2.952 7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 922 7.883 0.994 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.819 2.133 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 922 8.226 2.334 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 922 9.762 1.896 8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 922 8.364 4.574 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 922 9.686 4.271 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 10.506 5.244 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 11.072 3.647 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 9.793 4.027 6.273 1.00 0.00 H new ATOM 258 N GLN A 923 4.675 4.181 4.979 1.00 0.00 N ATOM 259 CA GLN A 923 3.466 4.989 4.883 1.00 0.00 C ATOM 260 C GLN A 923 2.453 4.337 3.946 1.00 0.00 C ATOM 261 O GLN A 923 1.247 4.504 4.121 1.00 0.00 O ATOM 262 CB GLN A 923 3.770 6.422 4.434 1.00 0.00 C ATOM 263 CG GLN A 923 4.309 6.540 3.020 1.00 0.00 C ATOM 264 CD GLN A 923 4.438 7.981 2.575 1.00 0.00 C ATOM 265 OE1 GLN A 923 5.408 8.249 1.718 1.00 0.00 O flip ATOM 266 NE2 GLN A 923 3.672 8.848 2.999 1.00 0.00 N flip ATOM 0 H GLN A 923 5.485 4.558 4.486 1.00 0.00 H new ATOM 0 HA GLN A 923 3.033 5.044 5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 923 2.858 7.014 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.494 6.859 5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.284 6.055 2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 923 3.648 6.008 2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 923 2.936 8.599 3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 923 3.774 9.814 2.689 1.00 0.00 H new ATOM 275 N ALA A 924 2.945 3.585 2.962 1.00 0.00 N ATOM 276 CA ALA A 924 2.070 2.822 2.081 1.00 0.00 C ATOM 277 C ALA A 924 1.362 1.742 2.879 1.00 0.00 C ATOM 278 O ALA A 924 0.153 1.559 2.758 1.00 0.00 O ATOM 279 CB ALA A 924 2.856 2.209 0.931 1.00 0.00 C ATOM 0 H ALA A 924 3.940 3.490 2.758 1.00 0.00 H new ATOM 0 HA ALA A 924 1.328 3.496 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.180 1.645 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.331 3.001 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.621 1.541 1.328 1.00 0.00 H new ATOM 285 N ALA A 925 2.128 1.045 3.712 1.00 0.00 N ATOM 286 CA ALA A 925 1.576 0.042 4.613 1.00 0.00 C ATOM 287 C ALA A 925 0.535 0.675 5.539 1.00 0.00 C ATOM 288 O ALA A 925 -0.515 0.088 5.811 1.00 0.00 O ATOM 289 CB ALA A 925 2.695 -0.610 5.420 1.00 0.00 C ATOM 0 H ALA A 925 3.139 1.158 3.781 1.00 0.00 H new ATOM 0 HA ALA A 925 1.082 -0.730 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.272 -1.358 6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.401 -1.089 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.212 0.150 6.005 1.00 0.00 H new ATOM 295 N ALA A 926 0.830 1.887 5.998 1.00 0.00 N ATOM 296 CA ALA A 926 -0.075 2.629 6.870 1.00 0.00 C ATOM 297 C ALA A 926 -1.377 2.973 6.150 1.00 0.00 C ATOM 298 O ALA A 926 -2.466 2.685 6.652 1.00 0.00 O ATOM 299 CB ALA A 926 0.596 3.897 7.373 1.00 0.00 C ATOM 0 H ALA A 926 1.696 2.380 5.779 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.316 1.993 7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 926 -0.091 4.440 8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.494 3.636 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 926 0.867 4.526 6.525 1.00 0.00 H new ATOM 305 N SER A 927 -1.257 3.583 4.973 1.00 0.00 N ATOM 306 CA SER A 927 -2.420 3.962 4.179 1.00 0.00 C ATOM 307 C SER A 927 -3.214 2.729 3.755 1.00 0.00 C ATOM 308 O SER A 927 -4.444 2.764 3.698 1.00 0.00 O ATOM 309 CB SER A 927 -1.987 4.768 2.952 1.00 0.00 C ATOM 310 OG SER A 927 -1.476 6.035 3.336 1.00 0.00 O ATOM 0 H SER A 927 -0.362 3.825 4.548 1.00 0.00 H new ATOM 0 HA SER A 927 -3.066 4.586 4.796 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.227 4.217 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 927 -2.835 4.901 2.281 1.00 0.00 H new ATOM 0 HG SER A 927 -0.564 5.929 3.680 1.00 0.00 H new ATOM 316 N ALA A 928 -2.507 1.641 3.471 1.00 0.00 N ATOM 317 CA ALA A 928 -3.153 0.379 3.143 1.00 0.00 C ATOM 318 C ALA A 928 -4.026 -0.079 4.299 1.00 0.00 C ATOM 319 O ALA A 928 -5.198 -0.395 4.113 1.00 0.00 O ATOM 320 CB ALA A 928 -2.116 -0.681 2.811 1.00 0.00 C ATOM 0 H ALA A 928 -1.488 1.609 3.462 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.783 0.529 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.618 -1.618 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.523 -0.355 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.462 -0.832 3.670 1.00 0.00 H new ATOM 326 N THR A 929 -3.452 -0.079 5.498 1.00 0.00 N ATOM 327 CA THR A 929 -4.175 -0.468 6.700 1.00 0.00 C ATOM 328 C THR A 929 -5.419 0.406 6.888 1.00 0.00 C ATOM 329 O THR A 929 -6.501 -0.096 7.196 1.00 0.00 O ATOM 330 CB THR A 929 -3.272 -0.360 7.946 1.00 0.00 C ATOM 331 OG1 THR A 929 -2.038 -1.059 7.719 1.00 0.00 O ATOM 332 CG2 THR A 929 -3.959 -0.937 9.175 1.00 0.00 C ATOM 0 H THR A 929 -2.481 0.188 5.662 1.00 0.00 H new ATOM 0 HA THR A 929 -4.484 -1.506 6.580 1.00 0.00 H new ATOM 0 HB THR A 929 -3.071 0.696 8.124 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.422 -0.482 7.220 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.298 -0.847 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 929 -4.882 -0.390 9.366 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.189 -1.988 9.003 1.00 0.00 H new ATOM 340 N GLN A 930 -5.258 1.710 6.669 1.00 0.00 N ATOM 341 CA GLN A 930 -6.367 2.655 6.778 1.00 0.00 C ATOM 342 C GLN A 930 -7.467 2.309 5.781 1.00 0.00 C ATOM 343 O GLN A 930 -8.644 2.244 6.138 1.00 0.00 O ATOM 344 CB GLN A 930 -5.883 4.084 6.528 1.00 0.00 C ATOM 345 CG GLN A 930 -4.866 4.577 7.540 1.00 0.00 C ATOM 346 CD GLN A 930 -4.322 5.954 7.207 1.00 0.00 C ATOM 347 OE1 GLN A 930 -5.144 6.787 6.588 1.00 0.00 O flip ATOM 348 NE2 GLN A 930 -3.174 6.271 7.518 1.00 0.00 N flip ATOM 0 H GLN A 930 -4.367 2.137 6.414 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.768 2.586 7.789 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.445 4.139 5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.742 4.754 6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -5.327 4.603 8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -4.040 3.868 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -2.571 5.600 7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -2.826 7.204 7.299 1.00 0.00 H new ATOM 357 N THR A 931 -7.069 2.075 4.534 1.00 0.00 N ATOM 358 CA THR A 931 -8.014 1.762 3.477 1.00 0.00 C ATOM 359 C THR A 931 -8.750 0.457 3.774 1.00 0.00 C ATOM 360 O THR A 931 -9.958 0.368 3.588 1.00 0.00 O ATOM 361 CB THR A 931 -7.310 1.656 2.109 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.469 2.798 1.898 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.326 1.566 0.978 1.00 0.00 C ATOM 0 H THR A 931 -6.094 2.097 4.234 1.00 0.00 H new ATOM 0 HA THR A 931 -8.735 2.578 3.436 1.00 0.00 H new ATOM 0 HB THR A 931 -6.706 0.749 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.685 2.740 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.803 1.492 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.950 0.684 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.953 2.458 0.980 1.00 0.00 H new ATOM 371 N ILE A 932 -8.017 -0.543 4.258 1.00 0.00 N ATOM 372 CA ILE A 932 -8.603 -1.845 4.570 1.00 0.00 C ATOM 373 C ILE A 932 -9.607 -1.741 5.715 1.00 0.00 C ATOM 374 O ILE A 932 -10.707 -2.295 5.641 1.00 0.00 O ATOM 375 CB ILE A 932 -7.517 -2.883 4.932 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.571 -3.086 3.748 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.149 -4.206 5.345 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.448 -4.055 4.027 1.00 0.00 C ATOM 0 H ILE A 932 -7.016 -0.477 4.443 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.122 -2.180 3.672 1.00 0.00 H new ATOM 0 HB ILE A 932 -6.944 -2.505 5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.145 -3.445 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.146 -2.123 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.365 -4.921 5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -8.788 -4.049 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -8.747 -4.596 4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -4.819 -4.148 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -4.849 -3.688 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -5.864 -5.030 4.280 1.00 0.00 H new ATOM 390 N ALA A 933 -9.228 -1.023 6.766 1.00 0.00 N ATOM 391 CA ALA A 933 -10.104 -0.830 7.915 1.00 0.00 C ATOM 392 C ALA A 933 -11.394 -0.139 7.495 1.00 0.00 C ATOM 393 O ALA A 933 -12.489 -0.553 7.884 1.00 0.00 O ATOM 394 CB ALA A 933 -9.398 -0.022 8.992 1.00 0.00 C ATOM 0 H ALA A 933 -8.320 -0.565 6.846 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.354 -1.809 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.066 0.113 9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.502 -0.551 9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.119 0.953 8.592 1.00 0.00 H new ATOM 400 N ALA A 934 -11.258 0.905 6.688 1.00 0.00 N ATOM 401 CA ALA A 934 -12.410 1.623 6.169 1.00 0.00 C ATOM 402 C ALA A 934 -13.207 0.738 5.222 1.00 0.00 C ATOM 403 O ALA A 934 -14.435 0.731 5.250 1.00 0.00 O ATOM 404 CB ALA A 934 -11.969 2.894 5.458 1.00 0.00 C ATOM 0 H ALA A 934 -10.358 1.273 6.379 1.00 0.00 H new ATOM 0 HA ALA A 934 -13.050 1.898 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.844 3.419 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.437 3.537 6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -11.309 2.637 4.629 1.00 0.00 H new ATOM 410 N ALA A 935 -12.489 -0.022 4.403 1.00 0.00 N ATOM 411 CA ALA A 935 -13.098 -0.909 3.421 1.00 0.00 C ATOM 412 C ALA A 935 -14.050 -1.901 4.078 1.00 0.00 C ATOM 413 O ALA A 935 -15.233 -1.951 3.747 1.00 0.00 O ATOM 414 CB ALA A 935 -12.018 -1.653 2.644 1.00 0.00 C ATOM 0 H ALA A 935 -11.469 -0.040 4.402 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.679 -0.296 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.485 -2.313 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.380 -0.935 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.415 -2.244 3.334 1.00 0.00 H new ATOM 420 N GLN A 936 -13.537 -2.667 5.032 1.00 0.00 N ATOM 421 CA GLN A 936 -14.319 -3.719 5.670 1.00 0.00 C ATOM 422 C GLN A 936 -15.403 -3.149 6.581 1.00 0.00 C ATOM 423 O GLN A 936 -16.355 -3.843 6.935 1.00 0.00 O ATOM 424 CB GLN A 936 -13.404 -4.654 6.459 1.00 0.00 C ATOM 425 CG GLN A 936 -12.419 -5.413 5.585 1.00 0.00 C ATOM 426 CD GLN A 936 -11.567 -6.391 6.367 1.00 0.00 C ATOM 427 OE1 GLN A 936 -11.990 -6.922 7.396 1.00 0.00 O ATOM 428 NE2 GLN A 936 -10.367 -6.648 5.876 1.00 0.00 N ATOM 0 H GLN A 936 -12.583 -2.580 5.381 1.00 0.00 H new ATOM 0 HA GLN A 936 -14.816 -4.283 4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -12.851 -4.072 7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -14.015 -5.369 7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -12.968 -5.953 4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -11.770 -4.701 5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -10.056 -6.186 5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -9.752 -7.308 6.352 1.00 0.00 H new ATOM 437 N HIS A 937 -15.261 -1.886 6.960 1.00 0.00 N ATOM 438 CA HIS A 937 -16.254 -1.239 7.808 1.00 0.00 C ATOM 439 C HIS A 937 -17.370 -0.630 6.963 1.00 0.00 C ATOM 440 O HIS A 937 -18.534 -0.633 7.361 1.00 0.00 O ATOM 441 CB HIS A 937 -15.601 -0.156 8.676 1.00 0.00 C ATOM 442 CG HIS A 937 -16.541 0.488 9.652 1.00 0.00 C ATOM 443 ND1 HIS A 937 -16.854 1.831 9.627 1.00 0.00 N ATOM 444 CD2 HIS A 937 -17.235 -0.035 10.691 1.00 0.00 C ATOM 445 CE1 HIS A 937 -17.699 2.104 10.604 1.00 0.00 C ATOM 446 NE2 HIS A 937 -17.944 0.990 11.263 1.00 0.00 N ATOM 0 H HIS A 937 -14.474 -1.293 6.696 1.00 0.00 H new ATOM 0 HA HIS A 937 -16.685 -1.997 8.461 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -14.769 -0.597 9.225 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -15.183 0.613 8.027 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -17.231 -1.067 11.010 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -18.118 3.075 10.825 1.00 0.00 H new ATOM 0 HE2 HIS A 937 -18.562 0.904 12.070 1.00 0.00 H new ATOM 614 N LEU A 951 -16.071 -6.555 -4.163 1.00 0.00 N ATOM 615 CA LEU A 951 -14.722 -6.790 -4.661 1.00 0.00 C ATOM 616 C LEU A 951 -13.710 -6.080 -3.773 1.00 0.00 C ATOM 617 O LEU A 951 -12.543 -6.461 -3.712 1.00 0.00 O ATOM 618 CB LEU A 951 -14.575 -6.310 -6.106 1.00 0.00 C ATOM 619 CG LEU A 951 -15.340 -7.124 -7.150 1.00 0.00 C ATOM 620 CD1 LEU A 951 -16.811 -6.741 -7.181 1.00 0.00 C ATOM 621 CD2 LEU A 951 -14.707 -6.944 -8.515 1.00 0.00 C ATOM 0 HA LEU A 951 -14.534 -7.863 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -14.909 -5.274 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -13.517 -6.319 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 951 -15.282 -8.176 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -17.327 -7.338 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -17.256 -6.926 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -16.907 -5.684 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -15.259 -7.528 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -14.734 -5.890 -8.793 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -13.672 -7.284 -8.484 1.00 0.00 H new ATOM 633 N LEU A 952 -14.180 -5.045 -3.087 1.00 0.00 N ATOM 634 CA LEU A 952 -13.358 -4.285 -2.157 1.00 0.00 C ATOM 635 C LEU A 952 -12.738 -5.197 -1.098 1.00 0.00 C ATOM 636 O LEU A 952 -11.543 -5.105 -0.816 1.00 0.00 O ATOM 637 CB LEU A 952 -14.205 -3.193 -1.498 1.00 0.00 C ATOM 638 CG LEU A 952 -13.472 -2.294 -0.501 1.00 0.00 C ATOM 639 CD1 LEU A 952 -12.256 -1.652 -1.149 1.00 0.00 C ATOM 640 CD2 LEU A 952 -14.416 -1.227 0.032 1.00 0.00 C ATOM 0 H LEU A 952 -15.141 -4.710 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 952 -12.542 -3.821 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.628 -2.565 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -15.041 -3.668 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 952 -13.129 -2.908 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -11.749 -1.017 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -11.573 -2.430 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -12.573 -1.049 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -13.884 -0.592 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -14.782 -0.619 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -15.259 -1.704 0.533 1.00 0.00 H new ATOM 652 N VAL A 953 -13.545 -6.090 -0.532 1.00 0.00 N ATOM 653 CA VAL A 953 -13.054 -7.020 0.480 1.00 0.00 C ATOM 654 C VAL A 953 -12.035 -7.973 -0.131 1.00 0.00 C ATOM 655 O VAL A 953 -11.017 -8.278 0.483 1.00 0.00 O ATOM 656 CB VAL A 953 -14.195 -7.837 1.126 1.00 0.00 C ATOM 657 CG1 VAL A 953 -13.656 -8.760 2.216 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.261 -6.910 1.689 1.00 0.00 C ATOM 0 H VAL A 953 -14.535 -6.189 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.585 -6.422 1.262 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.649 -8.457 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -14.479 -9.324 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -12.933 -9.451 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.171 -8.165 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.057 -7.502 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -14.817 -6.262 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.674 -6.300 0.886 1.00 0.00 H new ATOM 668 N GLN A 954 -12.305 -8.409 -1.351 1.00 0.00 N ATOM 669 CA GLN A 954 -11.408 -9.304 -2.069 1.00 0.00 C ATOM 670 C GLN A 954 -10.036 -8.655 -2.269 1.00 0.00 C ATOM 671 O GLN A 954 -8.998 -9.303 -2.115 1.00 0.00 O ATOM 672 CB GLN A 954 -12.029 -9.683 -3.416 1.00 0.00 C ATOM 673 CG GLN A 954 -11.171 -10.612 -4.255 1.00 0.00 C ATOM 674 CD GLN A 954 -11.889 -11.105 -5.492 1.00 0.00 C ATOM 675 OE1 GLN A 954 -12.538 -12.153 -5.470 1.00 0.00 O ATOM 676 NE2 GLN A 954 -11.810 -10.341 -6.569 1.00 0.00 N ATOM 0 H GLN A 954 -13.146 -8.155 -1.870 1.00 0.00 H new ATOM 0 HA GLN A 954 -11.265 -10.208 -1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -12.994 -10.159 -3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -12.222 -8.773 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -10.260 -10.092 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -10.868 -11.467 -3.650 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -11.262 -9.481 -6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -12.297 -10.612 -7.423 1.00 0.00 H new ATOM 685 N SER A 955 -10.041 -7.371 -2.596 1.00 0.00 N ATOM 686 CA SER A 955 -8.808 -6.629 -2.794 1.00 0.00 C ATOM 687 C SER A 955 -8.098 -6.373 -1.465 1.00 0.00 C ATOM 688 O SER A 955 -6.895 -6.619 -1.342 1.00 0.00 O ATOM 689 CB SER A 955 -9.102 -5.313 -3.513 1.00 0.00 C ATOM 690 OG SER A 955 -9.703 -5.559 -4.773 1.00 0.00 O ATOM 0 H SER A 955 -10.890 -6.821 -2.730 1.00 0.00 H new ATOM 0 HA SER A 955 -8.141 -7.228 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 955 -9.763 -4.698 -2.902 1.00 0.00 H new ATOM 0 HB3 SER A 955 -8.178 -4.751 -3.648 1.00 0.00 H new ATOM 0 HG SER A 955 -10.626 -5.862 -4.642 1.00 0.00 H new ATOM 696 N CYS A 956 -8.844 -5.908 -0.464 1.00 0.00 N ATOM 697 CA CYS A 956 -8.257 -5.605 0.840 1.00 0.00 C ATOM 698 C CYS A 956 -7.749 -6.876 1.509 1.00 0.00 C ATOM 699 O CYS A 956 -6.830 -6.838 2.324 1.00 0.00 O ATOM 700 CB CYS A 956 -9.271 -4.896 1.748 1.00 0.00 C ATOM 701 SG CYS A 956 -10.657 -5.922 2.285 1.00 0.00 S ATOM 0 H CYS A 956 -9.847 -5.734 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.413 -4.934 0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -8.750 -4.524 2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -9.664 -4.027 1.220 1.00 0.00 H new ATOM 0 HG CYS A 956 -10.596 -7.078 1.694 1.00 0.00 H new ATOM 707 N LYS A 957 -8.349 -8.001 1.141 1.00 0.00 N ATOM 708 CA LYS A 957 -7.976 -9.295 1.684 1.00 0.00 C ATOM 709 C LYS A 957 -6.535 -9.616 1.316 1.00 0.00 C ATOM 710 O LYS A 957 -5.736 -10.039 2.162 1.00 0.00 O ATOM 711 CB LYS A 957 -8.908 -10.370 1.125 1.00 0.00 C ATOM 712 CG LYS A 957 -9.052 -11.581 2.019 1.00 0.00 C ATOM 713 CD LYS A 957 -9.652 -11.201 3.360 1.00 0.00 C ATOM 714 CE LYS A 957 -9.946 -12.424 4.203 1.00 0.00 C ATOM 715 NZ LYS A 957 -8.728 -13.242 4.448 1.00 0.00 N ATOM 0 H LYS A 957 -9.106 -8.039 0.459 1.00 0.00 H new ATOM 0 HA LYS A 957 -8.065 -9.269 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -9.893 -9.933 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -8.535 -10.691 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.684 -12.324 1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -8.076 -12.043 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -8.964 -10.546 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -10.571 -10.637 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -10.370 -12.112 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -10.698 -13.035 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -8.936 -13.969 5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -8.434 -13.701 3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -7.961 -12.629 4.791 1.00 0.00 H new ATOM 729 N ALA A 958 -6.212 -9.394 0.049 1.00 0.00 N ATOM 730 CA ALA A 958 -4.871 -9.626 -0.453 1.00 0.00 C ATOM 731 C ALA A 958 -3.891 -8.649 0.180 1.00 0.00 C ATOM 732 O ALA A 958 -2.878 -9.053 0.749 1.00 0.00 O ATOM 733 CB ALA A 958 -4.853 -9.495 -1.967 1.00 0.00 C ATOM 0 H ALA A 958 -6.869 -9.051 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 958 -4.565 -10.638 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -3.842 -9.671 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.531 -10.228 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.173 -8.492 -2.249 1.00 0.00 H new ATOM 739 N VAL A 959 -4.222 -7.363 0.101 1.00 0.00 N ATOM 740 CA VAL A 959 -3.364 -6.304 0.625 1.00 0.00 C ATOM 741 C VAL A 959 -3.039 -6.530 2.100 1.00 0.00 C ATOM 742 O VAL A 959 -1.907 -6.312 2.532 1.00 0.00 O ATOM 743 CB VAL A 959 -4.024 -4.921 0.452 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.130 -3.818 0.993 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.356 -4.668 -1.009 1.00 0.00 C ATOM 0 H VAL A 959 -5.086 -7.027 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.436 -6.331 0.053 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.951 -4.916 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.620 -2.854 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -2.946 -3.986 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.182 -3.822 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.821 -3.688 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.441 -4.700 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -5.044 -5.435 -1.364 1.00 0.00 H new ATOM 755 N ALA A 960 -4.031 -6.992 2.857 1.00 0.00 N ATOM 756 CA ALA A 960 -3.858 -7.259 4.281 1.00 0.00 C ATOM 757 C ALA A 960 -2.749 -8.276 4.529 1.00 0.00 C ATOM 758 O ALA A 960 -2.120 -8.273 5.589 1.00 0.00 O ATOM 759 CB ALA A 960 -5.165 -7.747 4.887 1.00 0.00 C ATOM 0 H ALA A 960 -4.968 -7.190 2.505 1.00 0.00 H new ATOM 0 HA ALA A 960 -3.567 -6.325 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -5.023 -7.943 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.933 -6.984 4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -5.477 -8.664 4.388 1.00 0.00 H new ATOM 765 N GLU A 961 -2.510 -9.142 3.555 1.00 0.00 N ATOM 766 CA GLU A 961 -1.459 -10.144 3.672 1.00 0.00 C ATOM 767 C GLU A 961 -0.096 -9.542 3.329 1.00 0.00 C ATOM 768 O GLU A 961 0.920 -9.908 3.914 1.00 0.00 O ATOM 769 CB GLU A 961 -1.749 -11.329 2.752 1.00 0.00 C ATOM 770 CG GLU A 961 -3.098 -11.983 3.001 1.00 0.00 C ATOM 771 CD GLU A 961 -3.247 -12.495 4.417 1.00 0.00 C ATOM 772 OE1 GLU A 961 -2.675 -13.557 4.733 1.00 0.00 O ATOM 773 OE2 GLU A 961 -3.932 -11.835 5.223 1.00 0.00 O ATOM 0 H GLU A 961 -3.028 -9.172 2.677 1.00 0.00 H new ATOM 0 HA GLU A 961 -1.436 -10.492 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.705 -10.992 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.965 -12.076 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -3.890 -11.263 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -3.230 -12.811 2.304 1.00 0.00 H new ATOM 780 N GLN A 962 -0.083 -8.621 2.371 1.00 0.00 N ATOM 781 CA GLN A 962 1.148 -7.973 1.939 1.00 0.00 C ATOM 782 C GLN A 962 1.636 -6.903 2.923 1.00 0.00 C ATOM 783 O GLN A 962 2.802 -6.512 2.876 1.00 0.00 O ATOM 784 CB GLN A 962 0.962 -7.359 0.549 1.00 0.00 C ATOM 785 CG GLN A 962 1.056 -8.367 -0.585 1.00 0.00 C ATOM 786 CD GLN A 962 -0.150 -9.274 -0.715 1.00 0.00 C ATOM 787 OE1 GLN A 962 -1.108 -8.964 -1.420 1.00 0.00 O ATOM 788 NE2 GLN A 962 -0.096 -10.420 -0.056 1.00 0.00 N ATOM 0 H GLN A 962 -0.918 -8.306 1.877 1.00 0.00 H new ATOM 0 HA GLN A 962 1.915 -8.747 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 962 -0.010 -6.868 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 962 1.716 -6.587 0.399 1.00 0.00 H new ATOM 0 HG2 GLN A 962 1.194 -7.829 -1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 962 1.944 -8.982 -0.436 1.00 0.00 H new ATOM 0 HE21 GLN A 962 0.717 -10.640 0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 962 -0.868 -11.084 -0.123 1.00 0.00 H new ATOM 797 N ILE A 963 0.756 -6.434 3.807 1.00 0.00 N ATOM 798 CA ILE A 963 1.125 -5.395 4.779 1.00 0.00 C ATOM 799 C ILE A 963 2.332 -5.811 5.637 1.00 0.00 C ATOM 800 O ILE A 963 3.342 -5.105 5.657 1.00 0.00 O ATOM 801 CB ILE A 963 -0.055 -5.003 5.703 1.00 0.00 C ATOM 802 CG1 ILE A 963 -1.195 -4.396 4.882 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.409 -4.022 6.774 1.00 0.00 C ATOM 804 CD1 ILE A 963 -2.401 -4.018 5.713 1.00 0.00 C ATOM 0 H ILE A 963 -0.211 -6.751 3.874 1.00 0.00 H new ATOM 0 HA ILE A 963 1.400 -4.523 4.185 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.422 -5.903 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.828 -3.510 4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -1.500 -5.109 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -0.433 -3.757 7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.192 -4.484 7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 963 0.800 -3.123 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -3.170 -3.594 5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.793 -4.905 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -2.110 -3.282 6.462 1.00 0.00 H new ATOM 816 N PRO A 964 2.266 -6.957 6.357 1.00 0.00 N ATOM 817 CA PRO A 964 3.392 -7.430 7.170 1.00 0.00 C ATOM 818 C PRO A 964 4.638 -7.681 6.326 1.00 0.00 C ATOM 819 O PRO A 964 5.763 -7.489 6.790 1.00 0.00 O ATOM 820 CB PRO A 964 2.889 -8.739 7.792 1.00 0.00 C ATOM 821 CG PRO A 964 1.713 -9.140 6.969 1.00 0.00 C ATOM 822 CD PRO A 964 1.107 -7.863 6.460 1.00 0.00 C ATOM 0 HA PRO A 964 3.688 -6.692 7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.663 -9.506 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 964 2.608 -8.596 8.835 1.00 0.00 H new ATOM 0 HG2 PRO A 964 2.016 -9.784 6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 964 0.994 -9.703 7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.620 -8.005 5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.352 -7.475 7.144 1.00 0.00 H new ATOM 830 N LEU A 965 4.424 -8.087 5.077 1.00 0.00 N ATOM 831 CA LEU A 965 5.519 -8.341 4.151 1.00 0.00 C ATOM 832 C LEU A 965 6.302 -7.061 3.885 1.00 0.00 C ATOM 833 O LEU A 965 7.533 -7.072 3.853 1.00 0.00 O ATOM 834 CB LEU A 965 4.985 -8.914 2.837 1.00 0.00 C ATOM 835 CG LEU A 965 4.299 -10.275 2.961 1.00 0.00 C ATOM 836 CD1 LEU A 965 3.746 -10.724 1.616 1.00 0.00 C ATOM 837 CD2 LEU A 965 5.272 -11.306 3.509 1.00 0.00 C ATOM 0 H LEU A 965 3.497 -8.247 4.684 1.00 0.00 H new ATOM 0 HA LEU A 965 6.189 -9.071 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.277 -8.204 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 965 5.813 -9.003 2.133 1.00 0.00 H new ATOM 0 HG LEU A 965 3.465 -10.179 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 965 3.262 -11.694 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.019 -9.995 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 965 4.561 -10.805 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 965 4.771 -12.271 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.124 -11.397 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 965 5.620 -10.991 4.493 1.00 0.00 H new ATOM 849 N LEU A 966 5.578 -5.963 3.703 1.00 0.00 N ATOM 850 CA LEU A 966 6.199 -4.657 3.532 1.00 0.00 C ATOM 851 C LEU A 966 7.031 -4.298 4.748 1.00 0.00 C ATOM 852 O LEU A 966 8.235 -4.092 4.647 1.00 0.00 O ATOM 853 CB LEU A 966 5.145 -3.567 3.338 1.00 0.00 C ATOM 854 CG LEU A 966 4.398 -3.578 2.012 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.410 -2.428 1.988 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.370 -3.477 0.846 1.00 0.00 C ATOM 0 H LEU A 966 4.559 -5.952 3.670 1.00 0.00 H new ATOM 0 HA LEU A 966 6.833 -4.716 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.414 -3.651 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 966 5.631 -2.598 3.448 1.00 0.00 H new ATOM 0 HG LEU A 966 3.857 -4.519 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 966 2.872 -2.431 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 966 2.701 -2.540 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 966 3.946 -1.485 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 966 4.815 -3.487 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.936 -2.549 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.056 -4.323 0.870 1.00 0.00 H new ATOM 868 N VAL A 967 6.373 -4.247 5.897 1.00 0.00 N ATOM 869 CA VAL A 967 6.998 -3.774 7.126 1.00 0.00 C ATOM 870 C VAL A 967 8.196 -4.632 7.517 1.00 0.00 C ATOM 871 O VAL A 967 9.239 -4.105 7.899 1.00 0.00 O ATOM 872 CB VAL A 967 5.982 -3.729 8.281 1.00 0.00 C ATOM 873 CG1 VAL A 967 6.625 -3.182 9.548 1.00 0.00 C ATOM 874 CG2 VAL A 967 4.775 -2.888 7.880 1.00 0.00 C ATOM 0 H VAL A 967 5.399 -4.530 6.005 1.00 0.00 H new ATOM 0 HA VAL A 967 7.355 -2.763 6.933 1.00 0.00 H new ATOM 0 HB VAL A 967 5.647 -4.745 8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 967 5.887 -3.160 10.350 1.00 0.00 H new ATOM 0 HG12 VAL A 967 7.458 -3.822 9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 967 6.991 -2.172 9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.061 -2.861 8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.099 -1.874 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.301 -3.327 7.002 1.00 0.00 H new ATOM 884 N GLN A 968 8.065 -5.947 7.403 1.00 0.00 N ATOM 885 CA GLN A 968 9.179 -6.840 7.697 1.00 0.00 C ATOM 886 C GLN A 968 10.265 -6.708 6.640 1.00 0.00 C ATOM 887 O GLN A 968 11.449 -6.890 6.929 1.00 0.00 O ATOM 888 CB GLN A 968 8.704 -8.288 7.810 1.00 0.00 C ATOM 889 CG GLN A 968 7.995 -8.579 9.122 1.00 0.00 C ATOM 890 CD GLN A 968 8.912 -8.406 10.319 1.00 0.00 C ATOM 891 OE1 GLN A 968 10.120 -8.630 10.227 1.00 0.00 O ATOM 892 NE2 GLN A 968 8.350 -8.005 11.447 1.00 0.00 N ATOM 0 H GLN A 968 7.207 -6.416 7.112 1.00 0.00 H new ATOM 0 HA GLN A 968 9.601 -6.550 8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.030 -8.509 6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 968 9.561 -8.955 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 968 7.137 -7.915 9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 968 7.609 -9.598 9.106 1.00 0.00 H new ATOM 0 HE21 GLN A 968 7.346 -7.830 11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 968 8.921 -7.871 12.282 1.00 0.00 H new ATOM 901 N GLY A 969 9.861 -6.384 5.419 1.00 0.00 N ATOM 902 CA GLY A 969 10.826 -6.050 4.390 1.00 0.00 C ATOM 903 C GLY A 969 11.587 -4.791 4.750 1.00 0.00 C ATOM 904 O GLY A 969 12.805 -4.717 4.576 1.00 0.00 O ATOM 0 H GLY A 969 8.886 -6.346 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 969 11.524 -6.877 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 969 10.314 -5.911 3.438 1.00 0.00 H new ATOM 908 N VAL A 970 10.859 -3.802 5.266 1.00 0.00 N ATOM 909 CA VAL A 970 11.462 -2.572 5.762 1.00 0.00 C ATOM 910 C VAL A 970 12.421 -2.888 6.907 1.00 0.00 C ATOM 911 O VAL A 970 13.524 -2.354 6.972 1.00 0.00 O ATOM 912 CB VAL A 970 10.394 -1.563 6.258 1.00 0.00 C ATOM 913 CG1 VAL A 970 11.043 -0.249 6.665 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.326 -1.319 5.198 1.00 0.00 C ATOM 0 H VAL A 970 9.843 -3.832 5.351 1.00 0.00 H new ATOM 0 HA VAL A 970 12.002 -2.116 4.932 1.00 0.00 H new ATOM 0 HB VAL A 970 9.909 -1.999 7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.276 0.444 7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.757 -0.429 7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.562 0.181 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.593 -0.607 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.791 -0.916 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 970 8.829 -2.259 4.959 1.00 0.00 H new ATOM 924 N ARG A 971 11.997 -3.782 7.798 1.00 0.00 N ATOM 925 CA ARG A 971 12.820 -4.190 8.933 1.00 0.00 C ATOM 926 C ARG A 971 14.127 -4.826 8.464 1.00 0.00 C ATOM 927 O ARG A 971 15.178 -4.619 9.072 1.00 0.00 O ATOM 928 CB ARG A 971 12.057 -5.162 9.842 1.00 0.00 C ATOM 929 CG ARG A 971 10.837 -4.549 10.515 1.00 0.00 C ATOM 930 CD ARG A 971 11.184 -3.234 11.188 1.00 0.00 C ATOM 931 NE ARG A 971 10.094 -2.710 12.008 1.00 0.00 N ATOM 932 CZ ARG A 971 10.221 -1.649 12.804 1.00 0.00 C ATOM 933 NH1 ARG A 971 11.372 -0.992 12.866 1.00 0.00 N ATOM 934 NH2 ARG A 971 9.194 -1.239 13.531 1.00 0.00 N ATOM 0 H ARG A 971 11.086 -4.238 7.755 1.00 0.00 H new ATOM 0 HA ARG A 971 13.059 -3.294 9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.741 -6.023 9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 971 12.735 -5.534 10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 971 10.054 -4.386 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 971 10.438 -5.244 11.254 1.00 0.00 H new ATOM 0 HD2 ARG A 971 12.067 -3.373 11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 971 11.444 -2.499 10.426 1.00 0.00 H new ATOM 0 HE ARG A 971 9.190 -3.180 11.969 1.00 0.00 H new ATOM 0 HH11 ARG A 971 12.165 -1.298 12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 971 11.464 -0.180 13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 971 8.304 -1.735 13.482 1.00 0.00 H new ATOM 0 HH22 ARG A 971 9.292 -0.427 14.140 1.00 0.00 H new ATOM 948 N GLY A 972 14.057 -5.593 7.382 1.00 0.00 N ATOM 949 CA GLY A 972 15.257 -6.168 6.801 1.00 0.00 C ATOM 950 C GLY A 972 16.172 -5.099 6.239 1.00 0.00 C ATOM 951 O GLY A 972 17.392 -5.161 6.401 1.00 0.00 O ATOM 0 H GLY A 972 13.191 -5.827 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.790 -6.742 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 972 14.981 -6.864 6.009 1.00 0.00 H new ATOM 955 N SER A 973 15.570 -4.106 5.600 1.00 0.00 N ATOM 956 CA SER A 973 16.307 -2.980 5.049 1.00 0.00 C ATOM 957 C SER A 973 17.011 -2.198 6.158 1.00 0.00 C ATOM 958 O SER A 973 18.176 -1.824 6.025 1.00 0.00 O ATOM 959 CB SER A 973 15.352 -2.063 4.282 1.00 0.00 C ATOM 960 OG SER A 973 16.033 -0.953 3.728 1.00 0.00 O ATOM 0 H SER A 973 14.562 -4.059 5.450 1.00 0.00 H new ATOM 0 HA SER A 973 17.066 -3.361 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 973 14.865 -2.627 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 973 14.566 -1.712 4.951 1.00 0.00 H new ATOM 0 HG SER A 973 16.013 -1.012 2.750 1.00 0.00 H new ATOM 966 N GLN A 974 16.300 -1.973 7.261 1.00 0.00 N ATOM 967 CA GLN A 974 16.844 -1.236 8.399 1.00 0.00 C ATOM 968 C GLN A 974 17.998 -1.995 9.042 1.00 0.00 C ATOM 969 O GLN A 974 18.837 -1.407 9.724 1.00 0.00 O ATOM 970 CB GLN A 974 15.756 -0.983 9.441 1.00 0.00 C ATOM 971 CG GLN A 974 14.559 -0.233 8.893 1.00 0.00 C ATOM 972 CD GLN A 974 13.512 0.056 9.945 1.00 0.00 C ATOM 973 OE1 GLN A 974 13.363 -0.687 10.914 1.00 0.00 O ATOM 974 NE2 GLN A 974 12.775 1.135 9.755 1.00 0.00 N ATOM 0 H GLN A 974 15.340 -2.293 7.391 1.00 0.00 H new ATOM 0 HA GLN A 974 17.217 -0.281 8.028 1.00 0.00 H new ATOM 0 HB2 GLN A 974 15.422 -1.938 9.846 1.00 0.00 H new ATOM 0 HB3 GLN A 974 16.182 -0.417 10.269 1.00 0.00 H new ATOM 0 HG2 GLN A 974 14.895 0.707 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 974 14.108 -0.816 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 974 12.933 1.723 8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 974 12.048 1.380 10.427 1.00 0.00 H new ATOM 983 N ALA A 975 18.025 -3.300 8.832 1.00 0.00 N ATOM 984 CA ALA A 975 19.082 -4.137 9.370 1.00 0.00 C ATOM 985 C ALA A 975 20.341 -4.013 8.526 1.00 0.00 C ATOM 986 O ALA A 975 21.443 -3.828 9.050 1.00 0.00 O ATOM 987 CB ALA A 975 18.624 -5.586 9.436 1.00 0.00 C ATOM 0 H ALA A 975 17.323 -3.804 8.290 1.00 0.00 H new ATOM 0 HA ALA A 975 19.313 -3.800 10.381 1.00 0.00 H new ATOM 0 HB1 ALA A 975 19.426 -6.203 9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.748 -5.662 10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 975 18.370 -5.933 8.435 1.00 0.00 H new ATOM 993 N GLN A 976 20.174 -4.105 7.216 1.00 0.00 N ATOM 994 CA GLN A 976 21.296 -4.016 6.295 1.00 0.00 C ATOM 995 C GLN A 976 20.961 -3.089 5.127 1.00 0.00 C ATOM 996 O GLN A 976 20.446 -3.526 4.097 1.00 0.00 O ATOM 997 CB GLN A 976 21.674 -5.413 5.788 1.00 0.00 C ATOM 998 CG GLN A 976 22.204 -6.327 6.883 1.00 0.00 C ATOM 999 CD GLN A 976 22.448 -7.745 6.404 1.00 0.00 C ATOM 1000 OE1 GLN A 976 22.741 -7.977 5.234 1.00 0.00 O ATOM 1001 NE2 GLN A 976 22.336 -8.701 7.309 1.00 0.00 N ATOM 0 H GLN A 976 19.269 -4.242 6.766 1.00 0.00 H new ATOM 0 HA GLN A 976 22.151 -3.596 6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 976 20.799 -5.875 5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 976 22.429 -5.317 5.007 1.00 0.00 H new ATOM 0 HG2 GLN A 976 23.135 -5.916 7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 976 21.493 -6.346 7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 976 22.091 -8.466 8.271 1.00 0.00 H new ATOM 0 HE22 GLN A 976 22.495 -9.674 7.046 1.00 0.00 H new ATOM 1010 N PRO A 977 21.237 -1.784 5.288 1.00 0.00 N ATOM 1011 CA PRO A 977 20.913 -0.768 4.279 1.00 0.00 C ATOM 1012 C PRO A 977 21.771 -0.880 3.024 1.00 0.00 C ATOM 1013 O PRO A 977 21.370 -0.435 1.946 1.00 0.00 O ATOM 1014 CB PRO A 977 21.193 0.554 4.996 1.00 0.00 C ATOM 1015 CG PRO A 977 22.188 0.215 6.049 1.00 0.00 C ATOM 1016 CD PRO A 977 21.877 -1.191 6.478 1.00 0.00 C ATOM 0 HA PRO A 977 19.887 -0.873 3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 977 21.586 1.302 4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 977 20.283 0.968 5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 977 23.205 0.289 5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 977 22.116 0.904 6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 977 22.780 -1.733 6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 977 21.212 -1.209 7.342 1.00 0.00 H new ATOM 1024 N ASP A 978 22.942 -1.482 3.156 1.00 0.00 N ATOM 1025 CA ASP A 978 23.871 -1.581 2.041 1.00 0.00 C ATOM 1026 C ASP A 978 23.684 -2.892 1.294 1.00 0.00 C ATOM 1027 O ASP A 978 23.812 -2.941 0.071 1.00 0.00 O ATOM 1028 CB ASP A 978 25.314 -1.463 2.533 1.00 0.00 C ATOM 1029 CG ASP A 978 26.309 -1.403 1.394 1.00 0.00 C ATOM 1030 OD1 ASP A 978 26.607 -0.292 0.907 1.00 0.00 O ATOM 1031 OD2 ASP A 978 26.794 -2.472 0.970 1.00 0.00 O ATOM 0 H ASP A 978 23.272 -1.909 4.022 1.00 0.00 H new ATOM 0 HA ASP A 978 23.662 -0.759 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 978 25.414 -0.568 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 978 25.548 -2.315 3.172 1.00 0.00 H new ATOM 1036 N SER A 979 23.361 -3.947 2.030 1.00 0.00 N ATOM 1037 CA SER A 979 23.226 -5.276 1.447 1.00 0.00 C ATOM 1038 C SER A 979 22.021 -5.349 0.513 1.00 0.00 C ATOM 1039 O SER A 979 20.878 -5.147 0.933 1.00 0.00 O ATOM 1040 CB SER A 979 23.102 -6.332 2.550 1.00 0.00 C ATOM 1041 OG SER A 979 22.980 -7.639 2.006 1.00 0.00 O ATOM 0 H SER A 979 23.187 -3.908 3.034 1.00 0.00 H new ATOM 0 HA SER A 979 24.123 -5.477 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 979 23.977 -6.287 3.199 1.00 0.00 H new ATOM 0 HB3 SER A 979 22.233 -6.112 3.170 1.00 0.00 H new ATOM 0 HG SER A 979 23.065 -8.301 2.723 1.00 0.00 H new ATOM 1047 N PRO A 980 22.269 -5.647 -0.774 1.00 0.00 N ATOM 1048 CA PRO A 980 21.208 -5.818 -1.769 1.00 0.00 C ATOM 1049 C PRO A 980 20.298 -6.985 -1.420 1.00 0.00 C ATOM 1050 O PRO A 980 19.116 -6.972 -1.740 1.00 0.00 O ATOM 1051 CB PRO A 980 21.964 -6.094 -3.072 1.00 0.00 C ATOM 1052 CG PRO A 980 23.319 -6.546 -2.650 1.00 0.00 C ATOM 1053 CD PRO A 980 23.607 -5.836 -1.360 1.00 0.00 C ATOM 0 HA PRO A 980 20.557 -4.946 -1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 980 21.461 -6.858 -3.665 1.00 0.00 H new ATOM 0 HB3 PRO A 980 22.023 -5.198 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 980 23.345 -7.627 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 980 24.065 -6.301 -3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 980 24.251 -6.428 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.111 -4.884 -1.528 1.00 0.00 H new ATOM 1061 N SER A 981 20.857 -7.977 -0.739 1.00 0.00 N ATOM 1062 CA SER A 981 20.109 -9.159 -0.343 1.00 0.00 C ATOM 1063 C SER A 981 18.961 -8.785 0.595 1.00 0.00 C ATOM 1064 O SER A 981 17.879 -9.368 0.536 1.00 0.00 O ATOM 1065 CB SER A 981 21.054 -10.147 0.338 1.00 0.00 C ATOM 1066 OG SER A 981 22.275 -10.245 -0.380 1.00 0.00 O ATOM 0 H SER A 981 21.835 -7.984 -0.448 1.00 0.00 H new ATOM 0 HA SER A 981 19.678 -9.622 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 981 21.252 -9.824 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 981 20.582 -11.127 0.399 1.00 0.00 H new ATOM 0 HG SER A 981 22.869 -10.881 0.071 1.00 0.00 H new ATOM 1072 N ALA A 982 19.204 -7.794 1.448 1.00 0.00 N ATOM 1073 CA ALA A 982 18.197 -7.333 2.392 1.00 0.00 C ATOM 1074 C ALA A 982 17.224 -6.377 1.716 1.00 0.00 C ATOM 1075 O ALA A 982 16.010 -6.460 1.913 1.00 0.00 O ATOM 1076 CB ALA A 982 18.861 -6.657 3.584 1.00 0.00 C ATOM 0 H ALA A 982 20.092 -7.295 1.503 1.00 0.00 H new ATOM 0 HA ALA A 982 17.637 -8.198 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 982 18.096 -6.317 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 982 19.519 -7.367 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 982 19.444 -5.802 3.240 1.00 0.00 H new ATOM 1082 N GLN A 983 17.769 -5.480 0.906 1.00 0.00 N ATOM 1083 CA GLN A 983 16.966 -4.489 0.202 1.00 0.00 C ATOM 1084 C GLN A 983 16.012 -5.149 -0.780 1.00 0.00 C ATOM 1085 O GLN A 983 14.861 -4.739 -0.911 1.00 0.00 O ATOM 1086 CB GLN A 983 17.865 -3.506 -0.539 1.00 0.00 C ATOM 1087 CG GLN A 983 18.741 -2.699 0.392 1.00 0.00 C ATOM 1088 CD GLN A 983 17.938 -1.995 1.463 1.00 0.00 C ATOM 1089 OE1 GLN A 983 16.796 -1.592 1.238 1.00 0.00 O ATOM 1090 NE2 GLN A 983 18.511 -1.872 2.646 1.00 0.00 N ATOM 0 H GLN A 983 18.770 -5.418 0.719 1.00 0.00 H new ATOM 0 HA GLN A 983 16.378 -3.951 0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 983 18.495 -4.054 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 983 17.247 -2.828 -1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 983 19.472 -3.357 0.862 1.00 0.00 H new ATOM 0 HG3 GLN A 983 19.299 -1.962 -0.185 1.00 0.00 H new ATOM 0 HE21 GLN A 983 19.459 -2.219 2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 983 18.006 -1.430 3.414 1.00 0.00 H new ATOM 1099 N LEU A 984 16.499 -6.182 -1.454 1.00 0.00 N ATOM 1100 CA LEU A 984 15.742 -6.889 -2.460 1.00 0.00 C ATOM 1101 C LEU A 984 14.436 -7.433 -1.891 1.00 0.00 C ATOM 1102 O LEU A 984 13.426 -7.493 -2.588 1.00 0.00 O ATOM 1103 CB LEU A 984 16.614 -8.014 -2.989 1.00 0.00 C ATOM 1104 CG LEU A 984 16.172 -8.639 -4.296 1.00 0.00 C ATOM 1105 CD1 LEU A 984 15.980 -7.573 -5.365 1.00 0.00 C ATOM 1106 CD2 LEU A 984 17.206 -9.655 -4.733 1.00 0.00 C ATOM 0 H LEU A 984 17.439 -6.551 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 984 15.471 -6.209 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 984 17.627 -7.633 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 984 16.661 -8.797 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 984 15.214 -9.138 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 984 15.663 -8.044 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 984 15.219 -6.864 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 984 16.921 -7.047 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 984 16.895 -10.109 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 984 18.167 -9.160 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 984 17.301 -10.428 -3.971 1.00 0.00 H new ATOM 1118 N ALA A 985 14.460 -7.807 -0.616 1.00 0.00 N ATOM 1119 CA ALA A 985 13.265 -8.297 0.060 1.00 0.00 C ATOM 1120 C ALA A 985 12.199 -7.208 0.113 1.00 0.00 C ATOM 1121 O ALA A 985 11.020 -7.465 -0.135 1.00 0.00 O ATOM 1122 CB ALA A 985 13.608 -8.776 1.462 1.00 0.00 C ATOM 0 H ALA A 985 15.295 -7.780 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 985 12.868 -9.140 -0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 985 12.705 -9.139 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.338 -9.583 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.027 -7.950 2.036 1.00 0.00 H new ATOM 1128 N LEU A 986 12.627 -5.987 0.420 1.00 0.00 N ATOM 1129 CA LEU A 986 11.721 -4.846 0.471 1.00 0.00 C ATOM 1130 C LEU A 986 11.274 -4.490 -0.945 1.00 0.00 C ATOM 1131 O LEU A 986 10.085 -4.304 -1.207 1.00 0.00 O ATOM 1132 CB LEU A 986 12.421 -3.643 1.119 1.00 0.00 C ATOM 1133 CG LEU A 986 11.535 -2.718 1.967 1.00 0.00 C ATOM 1134 CD1 LEU A 986 12.330 -1.510 2.434 1.00 0.00 C ATOM 1135 CD2 LEU A 986 10.300 -2.269 1.203 1.00 0.00 C ATOM 0 H LEU A 986 13.598 -5.763 0.638 1.00 0.00 H new ATOM 0 HA LEU A 986 10.849 -5.106 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 986 13.229 -4.015 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 986 12.880 -3.048 0.330 1.00 0.00 H new ATOM 0 HG LEU A 986 11.201 -3.285 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 986 11.690 -0.863 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 986 13.176 -1.842 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 986 12.695 -0.958 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 986 9.698 -1.616 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 986 10.603 -1.727 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 986 9.712 -3.141 0.918 1.00 0.00 H new ATOM 1147 N ILE A 987 12.242 -4.415 -1.849 1.00 0.00 N ATOM 1148 CA ILE A 987 11.987 -4.055 -3.241 1.00 0.00 C ATOM 1149 C ILE A 987 10.976 -5.009 -3.880 1.00 0.00 C ATOM 1150 O ILE A 987 10.024 -4.576 -4.534 1.00 0.00 O ATOM 1151 CB ILE A 987 13.299 -4.056 -4.060 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.304 -3.078 -3.445 1.00 0.00 C ATOM 1153 CG2 ILE A 987 13.025 -3.693 -5.514 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.692 -3.165 -4.043 1.00 0.00 C ATOM 0 H ILE A 987 13.223 -4.601 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 987 11.568 -3.049 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 987 13.724 -5.059 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 987 13.929 -2.062 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.369 -3.266 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 987 13.961 -3.699 -6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.338 -4.420 -5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.580 -2.699 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.345 -2.441 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.089 -4.169 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.643 -2.947 -5.110 1.00 0.00 H new ATOM 1166 N ALA A 988 11.178 -6.304 -3.675 1.00 0.00 N ATOM 1167 CA ALA A 988 10.268 -7.314 -4.200 1.00 0.00 C ATOM 1168 C ALA A 988 8.893 -7.198 -3.548 1.00 0.00 C ATOM 1169 O ALA A 988 7.867 -7.219 -4.233 1.00 0.00 O ATOM 1170 CB ALA A 988 10.840 -8.705 -3.983 1.00 0.00 C ATOM 0 H ALA A 988 11.966 -6.681 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 988 10.153 -7.146 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 988 10.149 -9.449 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 988 11.798 -8.789 -4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 988 10.984 -8.877 -2.916 1.00 0.00 H new ATOM 1176 N ALA A 989 8.880 -7.056 -2.225 1.00 0.00 N ATOM 1177 CA ALA A 989 7.635 -6.926 -1.477 1.00 0.00 C ATOM 1178 C ALA A 989 6.841 -5.713 -1.946 1.00 0.00 C ATOM 1179 O ALA A 989 5.621 -5.776 -2.074 1.00 0.00 O ATOM 1180 CB ALA A 989 7.917 -6.828 0.014 1.00 0.00 C ATOM 0 H ALA A 989 9.721 -7.028 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 989 7.036 -7.818 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 989 6.977 -6.731 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.437 -7.727 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.540 -5.955 0.210 1.00 0.00 H new ATOM 1186 N SER A 990 7.543 -4.620 -2.216 1.00 0.00 N ATOM 1187 CA SER A 990 6.913 -3.395 -2.690 1.00 0.00 C ATOM 1188 C SER A 990 6.197 -3.632 -4.017 1.00 0.00 C ATOM 1189 O SER A 990 5.046 -3.242 -4.189 1.00 0.00 O ATOM 1190 CB SER A 990 7.958 -2.290 -2.849 1.00 0.00 C ATOM 1191 OG SER A 990 8.638 -2.053 -1.628 1.00 0.00 O ATOM 0 H SER A 990 8.556 -4.557 -2.114 1.00 0.00 H new ATOM 0 HA SER A 990 6.175 -3.083 -1.951 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.675 -2.571 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.474 -1.372 -3.184 1.00 0.00 H new ATOM 0 HG SER A 990 9.294 -2.765 -1.476 1.00 0.00 H new ATOM 1197 N GLN A 991 6.880 -4.294 -4.944 1.00 0.00 N ATOM 1198 CA GLN A 991 6.316 -4.574 -6.259 1.00 0.00 C ATOM 1199 C GLN A 991 5.139 -5.540 -6.150 1.00 0.00 C ATOM 1200 O GLN A 991 4.120 -5.384 -6.833 1.00 0.00 O ATOM 1201 CB GLN A 991 7.396 -5.144 -7.175 1.00 0.00 C ATOM 1202 CG GLN A 991 8.522 -4.160 -7.449 1.00 0.00 C ATOM 1203 CD GLN A 991 9.690 -4.791 -8.174 1.00 0.00 C ATOM 1204 OE1 GLN A 991 9.731 -4.823 -9.404 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.652 -5.292 -7.416 1.00 0.00 N ATOM 0 H GLN A 991 7.827 -4.647 -4.809 1.00 0.00 H new ATOM 0 HA GLN A 991 5.946 -3.642 -6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.810 -6.045 -6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.943 -5.442 -8.121 1.00 0.00 H new ATOM 0 HG2 GLN A 991 8.137 -3.331 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 991 8.870 -3.741 -6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 991 10.578 -5.244 -6.400 1.00 0.00 H new ATOM 0 HE22 GLN A 991 11.468 -5.726 -7.848 1.00 0.00 H new ATOM 1214 N SER A 992 5.269 -6.518 -5.263 1.00 0.00 N ATOM 1215 CA SER A 992 4.214 -7.492 -5.032 1.00 0.00 C ATOM 1216 C SER A 992 3.073 -6.868 -4.226 1.00 0.00 C ATOM 1217 O SER A 992 2.036 -7.493 -4.016 1.00 0.00 O ATOM 1218 CB SER A 992 4.774 -8.717 -4.302 1.00 0.00 C ATOM 1219 OG SER A 992 3.791 -9.733 -4.168 1.00 0.00 O ATOM 0 H SER A 992 6.101 -6.657 -4.689 1.00 0.00 H new ATOM 0 HA SER A 992 3.819 -7.810 -5.997 1.00 0.00 H new ATOM 0 HB2 SER A 992 5.632 -9.108 -4.849 1.00 0.00 H new ATOM 0 HB3 SER A 992 5.132 -8.423 -3.316 1.00 0.00 H new ATOM 0 HG SER A 992 2.898 -9.333 -4.219 1.00 0.00 H new ATOM 1225 N PHE A 993 3.280 -5.641 -3.764 1.00 0.00 N ATOM 1226 CA PHE A 993 2.250 -4.901 -3.051 1.00 0.00 C ATOM 1227 C PHE A 993 1.546 -3.939 -4.003 1.00 0.00 C ATOM 1228 O PHE A 993 0.363 -3.640 -3.843 1.00 0.00 O ATOM 1229 CB PHE A 993 2.871 -4.134 -1.878 1.00 0.00 C ATOM 1230 CG PHE A 993 1.888 -3.325 -1.082 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.055 -3.934 -0.159 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.803 -1.954 -1.252 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.157 -3.190 0.579 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.905 -1.205 -0.517 1.00 0.00 C ATOM 1235 CZ PHE A 993 0.082 -1.825 0.399 1.00 0.00 C ATOM 0 H PHE A 993 4.159 -5.136 -3.872 1.00 0.00 H new ATOM 0 HA PHE A 993 1.515 -5.603 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.362 -4.845 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.645 -3.469 -2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.109 -5.003 -0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.446 -1.464 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.487 -3.677 1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.848 -0.136 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.621 -1.242 0.975 1.00 0.00 H new ATOM 1245 N LEU A 994 2.288 -3.476 -5.003 1.00 0.00 N ATOM 1246 CA LEU A 994 1.765 -2.550 -6.005 1.00 0.00 C ATOM 1247 C LEU A 994 0.565 -3.142 -6.731 1.00 0.00 C ATOM 1248 O LEU A 994 -0.423 -2.449 -6.980 1.00 0.00 O ATOM 1249 CB LEU A 994 2.850 -2.207 -7.026 1.00 0.00 C ATOM 1250 CG LEU A 994 4.086 -1.510 -6.464 1.00 0.00 C ATOM 1251 CD1 LEU A 994 5.168 -1.430 -7.526 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.734 -0.122 -5.954 1.00 0.00 C ATOM 0 H LEU A 994 3.266 -3.730 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 994 1.449 -1.646 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.166 -3.127 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.413 -1.569 -7.794 1.00 0.00 H new ATOM 0 HG LEU A 994 4.463 -2.094 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 994 6.045 -0.931 -7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.439 -2.436 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.797 -0.865 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.629 0.358 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 994 3.334 0.476 -6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.986 -0.203 -5.165 1.00 0.00 H new ATOM 1264 N GLN A 995 0.659 -4.420 -7.079 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.406 -5.083 -7.827 1.00 0.00 C ATOM 1266 C GLN A 995 -1.721 -5.143 -7.029 1.00 0.00 C ATOM 1267 O GLN A 995 -2.732 -4.601 -7.481 1.00 0.00 O ATOM 1268 CB GLN A 995 0.034 -6.480 -8.278 1.00 0.00 C ATOM 1269 CG GLN A 995 -1.003 -7.212 -9.120 1.00 0.00 C ATOM 1270 CD GLN A 995 -1.395 -6.445 -10.367 1.00 0.00 C ATOM 1271 OE1 GLN A 995 -0.773 -6.585 -11.418 1.00 0.00 O ATOM 1272 NE2 GLN A 995 -2.433 -5.628 -10.265 1.00 0.00 N ATOM 0 H GLN A 995 1.456 -5.016 -6.857 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.602 -4.483 -8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 995 0.957 -6.392 -8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.262 -7.080 -7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -0.609 -8.187 -9.407 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -1.892 -7.394 -8.516 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -2.925 -5.537 -9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -2.740 -5.090 -11.075 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.749 -5.788 -5.838 1.00 0.00 N ATOM 1282 CA PRO A 996 -2.972 -5.880 -5.031 1.00 0.00 C ATOM 1283 C PRO A 996 -3.405 -4.520 -4.494 1.00 0.00 C ATOM 1284 O PRO A 996 -4.595 -4.196 -4.477 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.588 -6.809 -3.869 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.317 -7.461 -4.287 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.627 -6.481 -5.187 1.00 0.00 C ATOM 0 HA PRO A 996 -3.813 -6.248 -5.619 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -2.456 -6.247 -2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -3.367 -7.549 -3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -0.698 -7.699 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -1.512 -8.399 -4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 996 0.003 -5.791 -4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 996 0.015 -6.981 -5.912 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.429 -3.723 -4.072 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.718 -2.414 -3.519 1.00 0.00 C ATOM 1297 C GLY A 997 -3.392 -1.504 -4.519 1.00 0.00 C ATOM 1298 O GLY A 997 -4.360 -0.816 -4.190 1.00 0.00 O ATOM 0 H GLY A 997 -1.438 -3.963 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.358 -2.525 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.791 -1.953 -3.179 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.890 -1.515 -5.750 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.468 -0.701 -6.802 1.00 0.00 C ATOM 1304 C GLY A 998 -4.913 -1.061 -7.070 1.00 0.00 C ATOM 1305 O GLY A 998 -5.746 -0.185 -7.314 1.00 0.00 O ATOM 0 H GLY A 998 -2.089 -2.077 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.402 0.351 -6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -2.888 -0.826 -7.716 1.00 0.00 H new ATOM 1309 N LYS A 999 -5.218 -2.350 -7.003 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.577 -2.819 -7.219 1.00 0.00 C ATOM 1311 C LYS A 999 -7.483 -2.433 -6.059 1.00 0.00 C ATOM 1312 O LYS A 999 -8.682 -2.229 -6.248 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.614 -4.331 -7.425 1.00 0.00 C ATOM 1314 CG LYS A 999 -6.044 -4.777 -8.758 1.00 0.00 C ATOM 1315 CD LYS A 999 -6.404 -6.220 -9.048 1.00 0.00 C ATOM 1316 CE LYS A 999 -6.021 -6.616 -10.462 1.00 0.00 C ATOM 1317 NZ LYS A 999 -6.594 -7.934 -10.839 1.00 0.00 N ATOM 0 H LYS A 999 -4.543 -3.087 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.945 -2.336 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -6.056 -4.812 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.645 -4.675 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -6.426 -4.137 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.960 -4.664 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -5.898 -6.872 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -7.475 -6.364 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -6.370 -5.855 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -4.935 -6.654 -10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -6.311 -8.170 -11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -6.242 -8.665 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -7.632 -7.891 -10.782 1.00 0.00 H new ATOM 1331 N MET A1000 -6.917 -2.313 -4.862 1.00 0.00 N ATOM 1332 CA MET A1000 -7.709 -1.932 -3.707 1.00 0.00 C ATOM 1333 C MET A1000 -8.066 -0.459 -3.802 1.00 0.00 C ATOM 1334 O MET A1000 -9.143 -0.047 -3.387 1.00 0.00 O ATOM 1335 CB MET A1000 -6.974 -2.224 -2.400 1.00 0.00 C ATOM 1336 CG MET A1000 -7.880 -2.152 -1.180 1.00 0.00 C ATOM 1337 SD MET A1000 -7.046 -2.610 0.349 1.00 0.00 S ATOM 1338 CE MET A1000 -5.994 -1.192 0.607 1.00 0.00 C ATOM 0 H MET A1000 -5.928 -2.472 -4.672 1.00 0.00 H new ATOM 0 HA MET A1000 -8.622 -2.527 -3.704 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.526 -3.216 -2.455 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.157 -1.512 -2.282 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.270 -1.139 -1.084 1.00 0.00 H new ATOM 0 HG3 MET A1000 -8.736 -2.810 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A1000 -5.821 -1.057 1.675 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.041 -1.349 0.102 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.477 -0.302 0.202 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.156 0.325 -4.373 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.417 1.734 -4.642 1.00 0.00 C ATOM 1350 C VAL A1001 -8.606 1.867 -5.588 1.00 0.00 C ATOM 1351 O VAL A1001 -9.529 2.646 -5.341 1.00 0.00 O ATOM 1352 CB VAL A1001 -6.189 2.431 -5.275 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.484 3.895 -5.566 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -4.974 2.308 -4.371 1.00 0.00 C ATOM 0 H VAL A1001 -6.230 0.007 -4.658 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.635 2.217 -3.690 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.971 1.931 -6.219 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.605 4.362 -6.010 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -7.322 3.966 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.736 4.407 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -4.123 2.805 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.187 2.776 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.740 1.255 -4.218 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.580 1.084 -6.660 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.656 1.086 -7.640 1.00 0.00 C ATOM 1366 C ALA A1002 -10.968 0.635 -7.010 1.00 0.00 C ATOM 1367 O ALA A1002 -11.985 1.325 -7.111 1.00 0.00 O ATOM 1368 CB ALA A1002 -9.296 0.195 -8.819 1.00 0.00 C ATOM 0 H ALA A1002 -7.821 0.437 -6.872 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.789 2.106 -8.000 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -10.109 0.205 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -8.385 0.565 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -9.135 -0.825 -8.469 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.928 -0.512 -6.335 1.00 0.00 N ATOM 1375 CA ALA A1003 -12.114 -1.085 -5.706 1.00 0.00 C ATOM 1376 C ALA A1003 -12.694 -0.153 -4.647 1.00 0.00 C ATOM 1377 O ALA A1003 -13.911 -0.028 -4.522 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.784 -2.439 -5.095 1.00 0.00 C ATOM 0 H ALA A1003 -10.080 -1.065 -6.210 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.870 -1.217 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.677 -2.855 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -11.433 -3.114 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -11.005 -2.318 -4.342 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.819 0.502 -3.889 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.251 1.430 -2.852 1.00 0.00 C ATOM 1386 C ALA A1004 -13.010 2.601 -3.459 1.00 0.00 C ATOM 1387 O ALA A1004 -14.140 2.884 -3.068 1.00 0.00 O ATOM 1388 CB ALA A1004 -11.059 1.933 -2.048 1.00 0.00 C ATOM 0 H ALA A1004 -10.807 0.406 -3.975 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.921 0.895 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.404 2.624 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.555 1.089 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.363 2.446 -2.712 1.00 0.00 H new ATOM 1394 N LYS A1005 -12.392 3.259 -4.437 1.00 0.00 N ATOM 1395 CA LYS A1005 -12.993 4.421 -5.082 1.00 0.00 C ATOM 1396 C LYS A1005 -14.305 4.060 -5.765 1.00 0.00 C ATOM 1397 O LYS A1005 -15.239 4.857 -5.791 1.00 0.00 O ATOM 1398 CB LYS A1005 -12.040 5.021 -6.112 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.773 5.606 -5.510 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.943 6.307 -6.569 1.00 0.00 C ATOM 1401 CE LYS A1005 -8.651 6.857 -5.999 1.00 0.00 C ATOM 1402 NZ LYS A1005 -7.878 7.598 -7.028 1.00 0.00 N ATOM 0 H LYS A1005 -11.473 3.006 -4.800 1.00 0.00 H new ATOM 0 HA LYS A1005 -13.193 5.155 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.766 4.250 -6.832 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -12.562 5.802 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -11.033 6.311 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -10.185 4.813 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -9.717 5.608 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -10.523 7.120 -7.006 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -8.873 7.519 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -8.047 6.039 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -6.999 7.962 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -7.646 6.959 -7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -8.447 8.393 -7.384 1.00 0.00 H new ATOM 1416 N ALA A1006 -14.365 2.855 -6.311 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.551 2.395 -7.015 1.00 0.00 C ATOM 1418 C ALA A1006 -16.651 1.997 -6.036 1.00 0.00 C ATOM 1419 O ALA A1006 -17.830 1.952 -6.392 1.00 0.00 O ATOM 1420 CB ALA A1006 -15.193 1.234 -7.927 1.00 0.00 C ATOM 0 H ALA A1006 -13.604 2.177 -6.280 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.933 3.215 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -16.086 0.894 -8.451 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.447 1.558 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.788 0.415 -7.332 1.00 0.00 H new ATOM 1426 N SER A1007 -16.264 1.718 -4.800 1.00 0.00 N ATOM 1427 CA SER A1007 -17.218 1.344 -3.768 1.00 0.00 C ATOM 1428 C SER A1007 -17.759 2.587 -3.064 1.00 0.00 C ATOM 1429 O SER A1007 -18.853 2.561 -2.499 1.00 0.00 O ATOM 1430 CB SER A1007 -16.561 0.400 -2.756 1.00 0.00 C ATOM 1431 OG SER A1007 -17.503 -0.090 -1.815 1.00 0.00 O ATOM 0 H SER A1007 -15.293 1.744 -4.487 1.00 0.00 H new ATOM 0 HA SER A1007 -18.053 0.825 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A1007 -16.102 -0.437 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A1007 -15.762 0.925 -2.233 1.00 0.00 H new ATOM 0 HG SER A1007 -17.053 -0.690 -1.184 1.00 0.00 H new ATOM 1437 N VAL A1008 -16.997 3.675 -3.118 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.375 4.936 -2.473 1.00 0.00 C ATOM 1439 C VAL A1008 -18.804 5.390 -2.842 1.00 0.00 C ATOM 1440 O VAL A1008 -19.598 5.683 -1.947 1.00 0.00 O ATOM 1441 CB VAL A1008 -16.353 6.059 -2.796 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -16.806 7.407 -2.249 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -14.983 5.705 -2.235 1.00 0.00 C ATOM 0 H VAL A1008 -16.103 3.712 -3.607 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.364 4.746 -1.400 1.00 0.00 H new ATOM 0 HB VAL A1008 -16.289 6.142 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -16.065 8.167 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -17.764 7.677 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -16.914 7.343 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -14.277 6.502 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -15.052 5.588 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.638 4.772 -2.680 1.00 0.00 H new ATOM 1453 N PRO A1009 -19.173 5.445 -4.144 1.00 0.00 N ATOM 1454 CA PRO A1009 -20.513 5.889 -4.554 1.00 0.00 C ATOM 1455 C PRO A1009 -21.625 4.928 -4.128 1.00 0.00 C ATOM 1456 O PRO A1009 -22.777 5.334 -3.968 1.00 0.00 O ATOM 1457 CB PRO A1009 -20.429 5.956 -6.079 1.00 0.00 C ATOM 1458 CG PRO A1009 -19.307 5.052 -6.449 1.00 0.00 C ATOM 1459 CD PRO A1009 -18.331 5.111 -5.310 1.00 0.00 C ATOM 0 HA PRO A1009 -20.770 6.838 -4.083 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -21.363 5.633 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -20.242 6.975 -6.419 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.663 4.033 -6.605 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -18.839 5.372 -7.380 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.817 4.159 -5.173 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -17.564 5.866 -5.479 1.00 0.00 H new ATOM 1467 N THR A1010 -21.287 3.658 -3.932 1.00 0.00 N ATOM 1468 CA THR A1010 -22.281 2.669 -3.532 1.00 0.00 C ATOM 1469 C THR A1010 -22.482 2.691 -2.019 1.00 0.00 C ATOM 1470 O THR A1010 -23.350 2.004 -1.477 1.00 0.00 O ATOM 1471 CB THR A1010 -21.897 1.249 -4.002 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.624 0.861 -3.464 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.838 1.187 -5.520 1.00 0.00 C ATOM 0 H THR A1010 -20.341 3.292 -4.042 1.00 0.00 H new ATOM 0 HA THR A1010 -23.220 2.936 -4.017 1.00 0.00 H new ATOM 0 HB THR A1010 -22.662 0.561 -3.641 1.00 0.00 H new ATOM 0 HG1 THR A1010 -20.220 1.622 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.566 0.179 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.813 1.444 -5.933 1.00 0.00 H new ATOM 0 HG23 THR A1010 -21.092 1.894 -5.884 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.672 3.496 -1.347 1.00 0.00 N ATOM 1482 CA ILE A1011 -21.769 3.670 0.090 1.00 0.00 C ATOM 1483 C ILE A1011 -22.528 4.955 0.401 1.00 0.00 C ATOM 1484 O ILE A1011 -22.269 6.001 -0.195 1.00 0.00 O ATOM 1485 CB ILE A1011 -20.367 3.713 0.737 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -19.627 2.403 0.458 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -20.459 3.962 2.237 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -18.167 2.437 0.842 1.00 0.00 C ATOM 0 H ILE A1011 -20.931 4.045 -1.784 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.309 2.820 0.506 1.00 0.00 H new ATOM 0 HB ILE A1011 -19.811 4.540 0.297 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -20.118 1.596 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -19.709 2.169 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -19.456 3.987 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -20.954 4.916 2.418 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -21.032 3.161 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -17.709 1.474 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -17.661 3.221 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -18.076 2.640 1.909 1.00 0.00 H new ATOM 1500 N GLN A1012 -23.472 4.865 1.320 1.00 0.00 N ATOM 1501 CA GLN A1012 -24.319 5.996 1.662 1.00 0.00 C ATOM 1502 C GLN A1012 -24.019 6.495 3.070 1.00 0.00 C ATOM 1503 O GLN A1012 -24.858 7.128 3.717 1.00 0.00 O ATOM 1504 CB GLN A1012 -25.789 5.602 1.509 1.00 0.00 C ATOM 1505 CG GLN A1012 -26.196 5.435 0.054 1.00 0.00 C ATOM 1506 CD GLN A1012 -27.557 4.800 -0.127 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -28.441 4.920 0.724 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -27.736 4.125 -1.249 1.00 0.00 N ATOM 0 H GLN A1012 -23.673 4.015 1.847 1.00 0.00 H new ATOM 0 HA GLN A1012 -24.108 6.818 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -25.970 4.669 2.043 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -26.416 6.362 1.974 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -26.193 6.412 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -25.450 4.825 -0.455 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -26.977 4.051 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -28.633 3.678 -1.438 1.00 0.00 H new ATOM 1517 N ASP A1013 -22.816 6.201 3.536 1.00 0.00 N ATOM 1518 CA ASP A1013 -22.306 6.775 4.772 1.00 0.00 C ATOM 1519 C ASP A1013 -21.168 7.728 4.446 1.00 0.00 C ATOM 1520 O ASP A1013 -20.091 7.296 4.032 1.00 0.00 O ATOM 1521 CB ASP A1013 -21.821 5.694 5.739 1.00 0.00 C ATOM 1522 CG ASP A1013 -21.272 6.289 7.020 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -22.075 6.752 7.854 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -20.037 6.308 7.195 1.00 0.00 O ATOM 0 H ASP A1013 -22.169 5.563 3.073 1.00 0.00 H new ATOM 0 HA ASP A1013 -23.118 7.313 5.262 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -22.645 5.021 5.975 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -21.049 5.095 5.257 1.00 0.00 H new ATOM 1529 N GLN A1014 -21.424 9.018 4.620 1.00 0.00 N ATOM 1530 CA GLN A1014 -20.488 10.061 4.210 1.00 0.00 C ATOM 1531 C GLN A1014 -19.107 9.875 4.837 1.00 0.00 C ATOM 1532 O GLN A1014 -18.092 9.985 4.149 1.00 0.00 O ATOM 1533 CB GLN A1014 -21.047 11.443 4.558 1.00 0.00 C ATOM 1534 CG GLN A1014 -20.173 12.594 4.085 1.00 0.00 C ATOM 1535 CD GLN A1014 -20.850 13.939 4.238 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -22.075 14.043 4.159 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -20.063 14.976 4.455 1.00 0.00 N ATOM 0 H GLN A1014 -22.281 9.371 5.047 1.00 0.00 H new ATOM 0 HA GLN A1014 -20.368 9.982 3.130 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -22.038 11.546 4.116 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -21.171 11.513 5.639 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -19.241 12.594 4.650 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -19.911 12.440 3.038 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -19.053 14.846 4.514 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -20.465 15.907 4.564 1.00 0.00 H new ATOM 1546 N ALA A1015 -19.073 9.574 6.132 1.00 0.00 N ATOM 1547 CA ALA A1015 -17.810 9.402 6.841 1.00 0.00 C ATOM 1548 C ALA A1015 -16.976 8.287 6.219 1.00 0.00 C ATOM 1549 O ALA A1015 -15.801 8.481 5.903 1.00 0.00 O ATOM 1550 CB ALA A1015 -18.064 9.114 8.311 1.00 0.00 C ATOM 0 H ALA A1015 -19.903 9.445 6.710 1.00 0.00 H new ATOM 0 HA ALA A1015 -17.247 10.331 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -17.112 8.988 8.827 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -18.610 9.946 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -18.652 8.201 8.407 1.00 0.00 H new ATOM 1556 N SER A1016 -17.592 7.128 6.026 1.00 0.00 N ATOM 1557 CA SER A1016 -16.904 5.984 5.444 1.00 0.00 C ATOM 1558 C SER A1016 -16.529 6.251 3.987 1.00 0.00 C ATOM 1559 O SER A1016 -15.427 5.912 3.548 1.00 0.00 O ATOM 1560 CB SER A1016 -17.788 4.742 5.536 1.00 0.00 C ATOM 1561 OG SER A1016 -18.194 4.508 6.874 1.00 0.00 O ATOM 0 H SER A1016 -18.569 6.956 6.265 1.00 0.00 H new ATOM 0 HA SER A1016 -15.986 5.816 6.007 1.00 0.00 H new ATOM 0 HB2 SER A1016 -18.666 4.868 4.902 1.00 0.00 H new ATOM 0 HB3 SER A1016 -17.245 3.875 5.160 1.00 0.00 H new ATOM 0 HG SER A1016 -19.053 4.950 7.037 1.00 0.00 H new ATOM 1567 N ALA A1017 -17.444 6.870 3.249 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.224 7.163 1.840 1.00 0.00 C ATOM 1569 C ALA A1017 -16.030 8.089 1.648 1.00 0.00 C ATOM 1570 O ALA A1017 -15.136 7.803 0.851 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.475 7.776 1.227 1.00 0.00 C ATOM 0 H ALA A1017 -18.348 7.179 3.606 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.005 6.224 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.296 7.990 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.306 7.076 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -18.720 8.701 1.749 1.00 0.00 H new ATOM 1577 N MET A1018 -16.008 9.189 2.396 1.00 0.00 N ATOM 1578 CA MET A1018 -14.930 10.167 2.276 1.00 0.00 C ATOM 1579 C MET A1018 -13.617 9.585 2.784 1.00 0.00 C ATOM 1580 O MET A1018 -12.555 9.856 2.224 1.00 0.00 O ATOM 1581 CB MET A1018 -15.264 11.452 3.037 1.00 0.00 C ATOM 1582 CG MET A1018 -16.477 12.210 2.499 1.00 0.00 C ATOM 1583 SD MET A1018 -16.259 12.833 0.814 1.00 0.00 S ATOM 1584 CE MET A1018 -16.576 11.365 -0.166 1.00 0.00 C ATOM 0 H MET A1018 -16.720 9.425 3.088 1.00 0.00 H new ATOM 0 HA MET A1018 -14.821 10.412 1.220 1.00 0.00 H new ATOM 0 HB2 MET A1018 -15.441 11.204 4.083 1.00 0.00 H new ATOM 0 HB3 MET A1018 -14.397 12.112 3.008 1.00 0.00 H new ATOM 0 HG2 MET A1018 -17.346 11.552 2.524 1.00 0.00 H new ATOM 0 HG3 MET A1018 -16.693 13.048 3.161 1.00 0.00 H new ATOM 0 HE1 MET A1018 -17.215 11.622 -1.011 1.00 0.00 H new ATOM 0 HE2 MET A1018 -15.632 10.963 -0.534 1.00 0.00 H new ATOM 0 HE3 MET A1018 -17.074 10.616 0.451 1.00 0.00 H new ATOM 1594 N GLN A1019 -13.700 8.774 3.833 1.00 0.00 N ATOM 1595 CA GLN A1019 -12.525 8.110 4.381 1.00 0.00 C ATOM 1596 C GLN A1019 -11.871 7.229 3.321 1.00 0.00 C ATOM 1597 O GLN A1019 -10.670 7.329 3.078 1.00 0.00 O ATOM 1598 CB GLN A1019 -12.907 7.283 5.608 1.00 0.00 C ATOM 1599 CG GLN A1019 -11.731 6.595 6.282 1.00 0.00 C ATOM 1600 CD GLN A1019 -12.118 5.935 7.591 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -11.549 4.915 7.981 1.00 0.00 O ATOM 1602 NE2 GLN A1019 -13.080 6.516 8.288 1.00 0.00 N ATOM 0 H GLN A1019 -14.570 8.561 4.321 1.00 0.00 H new ATOM 0 HA GLN A1019 -11.806 8.869 4.688 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -13.398 7.933 6.332 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -13.635 6.528 5.312 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -11.318 5.844 5.608 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -10.943 7.326 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -13.529 7.360 7.933 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -13.373 6.120 9.181 1.00 0.00 H new ATOM 1611 N LEU A1020 -12.676 6.387 2.678 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.188 5.534 1.597 1.00 0.00 C ATOM 1613 C LEU A1020 -11.622 6.362 0.452 1.00 0.00 C ATOM 1614 O LEU A1020 -10.572 6.029 -0.100 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.304 4.629 1.075 1.00 0.00 C ATOM 1616 CG LEU A1020 -13.499 3.329 1.853 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -14.713 2.580 1.338 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -12.257 2.462 1.734 1.00 0.00 C ATOM 0 H LEU A1020 -13.668 6.277 2.886 1.00 0.00 H new ATOM 0 HA LEU A1020 -11.389 4.915 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.240 5.187 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.095 4.384 0.034 1.00 0.00 H new ATOM 0 HG LEU A1020 -13.663 3.571 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -14.837 1.656 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -15.601 3.201 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.574 2.344 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -12.404 1.537 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.075 2.228 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -11.399 2.998 2.140 1.00 0.00 H new ATOM 1630 N SER A1021 -12.312 7.443 0.109 1.00 0.00 N ATOM 1631 CA SER A1021 -11.885 8.320 -0.959 1.00 0.00 C ATOM 1632 C SER A1021 -10.495 8.890 -0.672 1.00 0.00 C ATOM 1633 O SER A1021 -9.640 8.942 -1.556 1.00 0.00 O ATOM 1634 CB SER A1021 -12.900 9.448 -1.124 1.00 0.00 C ATOM 1635 OG SER A1021 -14.201 8.940 -1.366 1.00 0.00 O ATOM 0 H SER A1021 -13.178 7.730 0.565 1.00 0.00 H new ATOM 0 HA SER A1021 -11.827 7.748 -1.885 1.00 0.00 H new ATOM 0 HB2 SER A1021 -12.910 10.065 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A1021 -12.600 10.092 -1.950 1.00 0.00 H new ATOM 0 HG SER A1021 -14.684 8.859 -0.517 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.274 9.294 0.573 1.00 0.00 N ATOM 1642 CA GLN A1022 -8.996 9.855 0.988 1.00 0.00 C ATOM 1643 C GLN A1022 -7.922 8.777 1.111 1.00 0.00 C ATOM 1644 O GLN A1022 -6.809 8.948 0.610 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.150 10.595 2.314 1.00 0.00 C ATOM 1646 CG GLN A1022 -9.144 12.108 2.170 1.00 0.00 C ATOM 1647 CD GLN A1022 -10.226 12.618 1.239 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -10.020 12.732 0.030 1.00 0.00 O ATOM 1649 NE2 GLN A1022 -11.382 12.935 1.796 1.00 0.00 N ATOM 0 H GLN A1022 -10.970 9.242 1.317 1.00 0.00 H new ATOM 0 HA GLN A1022 -8.677 10.558 0.218 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.083 10.287 2.786 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -8.341 10.299 2.982 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -9.274 12.562 3.153 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -8.171 12.428 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -11.511 12.825 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -12.146 13.289 1.220 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.261 7.672 1.769 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.315 6.579 1.975 1.00 0.00 C ATOM 1660 C CYS A1023 -6.782 6.051 0.647 1.00 0.00 C ATOM 1661 O CYS A1023 -5.571 5.953 0.455 1.00 0.00 O ATOM 1662 CB CYS A1023 -7.967 5.442 2.766 1.00 0.00 C ATOM 1663 SG CYS A1023 -8.365 5.859 4.478 1.00 0.00 S ATOM 0 H CYS A1023 -9.185 7.509 2.169 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.476 6.973 2.548 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -8.882 5.139 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.298 4.581 2.760 1.00 0.00 H new ATOM 0 HG CYS A1023 -9.395 6.651 4.503 1.00 0.00 H new ATOM 1669 N ALA A1024 -7.686 5.741 -0.275 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.298 5.208 -1.577 1.00 0.00 C ATOM 1671 C ALA A1024 -6.520 6.244 -2.382 1.00 0.00 C ATOM 1672 O ALA A1024 -5.605 5.904 -3.132 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.524 4.746 -2.349 1.00 0.00 C ATOM 0 H ALA A1024 -8.692 5.849 -0.146 1.00 0.00 H new ATOM 0 HA ALA A1024 -6.647 4.350 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.217 4.351 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.036 3.966 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.199 5.589 -2.498 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.884 7.509 -2.212 1.00 0.00 N ATOM 1680 CA LYS A1025 -6.221 8.604 -2.908 1.00 0.00 C ATOM 1681 C LYS A1025 -4.761 8.702 -2.476 1.00 0.00 C ATOM 1682 O LYS A1025 -3.856 8.826 -3.306 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.946 9.917 -2.609 1.00 0.00 C ATOM 1684 CG LYS A1025 -6.489 11.090 -3.457 1.00 0.00 C ATOM 1685 CD LYS A1025 -7.240 12.362 -3.093 1.00 0.00 C ATOM 1686 CE LYS A1025 -8.747 12.164 -3.173 1.00 0.00 C ATOM 1687 NZ LYS A1025 -9.492 13.422 -2.913 1.00 0.00 N ATOM 0 H LYS A1025 -7.640 7.803 -1.594 1.00 0.00 H new ATOM 0 HA LYS A1025 -6.252 8.412 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -8.016 9.770 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -6.803 10.166 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -5.419 11.245 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -6.646 10.862 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -6.966 12.671 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -6.942 13.167 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -9.010 11.785 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -9.051 11.407 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -10.320 13.471 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -9.807 13.440 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -8.872 14.237 -3.094 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.540 8.627 -1.170 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.195 8.695 -0.615 1.00 0.00 C ATOM 1703 C ASN A1026 -2.436 7.405 -0.897 1.00 0.00 C ATOM 1704 O ASN A1026 -1.238 7.431 -1.179 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.245 8.956 0.892 1.00 0.00 C ATOM 1706 CG ASN A1026 -3.811 10.321 1.232 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -3.656 11.282 0.477 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -4.477 10.419 2.373 1.00 0.00 N ATOM 0 H ASN A1026 -5.277 8.519 -0.474 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.671 9.522 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -3.852 8.187 1.370 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.240 8.871 1.305 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -4.882 11.313 2.652 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -4.585 9.601 2.973 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.146 6.281 -0.829 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.562 4.978 -1.124 1.00 0.00 C ATOM 1717 C LEU A1027 -2.029 4.942 -2.553 1.00 0.00 C ATOM 1718 O LEU A1027 -0.974 4.366 -2.816 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.606 3.871 -0.916 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.108 2.439 -1.140 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -1.978 2.101 -0.180 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.255 1.450 -0.981 1.00 0.00 C ATOM 0 H LEU A1027 -4.132 6.249 -0.570 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.729 4.808 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -3.992 3.947 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.443 4.055 -1.590 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.722 2.367 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.642 1.080 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.148 2.789 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.333 2.192 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -3.887 0.437 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.668 1.530 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.033 1.674 -1.711 1.00 0.00 H new ATOM 1734 N GLY A1028 -2.758 5.577 -3.468 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.323 5.654 -4.851 1.00 0.00 C ATOM 1736 C GLY A1028 -0.971 6.327 -4.993 1.00 0.00 C ATOM 1737 O GLY A1028 -0.091 5.827 -5.694 1.00 0.00 O ATOM 0 H GLY A1028 -3.645 6.041 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.272 4.649 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.063 6.204 -5.432 1.00 0.00 H new ATOM 1741 N THR A1029 -0.797 7.457 -4.320 1.00 0.00 N ATOM 1742 CA THR A1029 0.467 8.176 -4.361 1.00 0.00 C ATOM 1743 C THR A1029 1.539 7.432 -3.569 1.00 0.00 C ATOM 1744 O THR A1029 2.719 7.448 -3.930 1.00 0.00 O ATOM 1745 CB THR A1029 0.315 9.599 -3.803 1.00 0.00 C ATOM 1746 OG1 THR A1029 -0.746 10.278 -4.491 1.00 0.00 O ATOM 1747 CG2 THR A1029 1.608 10.387 -3.955 1.00 0.00 C ATOM 0 H THR A1029 -1.514 7.894 -3.741 1.00 0.00 H new ATOM 0 HA THR A1029 0.772 8.239 -5.406 1.00 0.00 H new ATOM 0 HB THR A1029 0.079 9.526 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A1029 -0.841 11.185 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A1029 1.472 11.391 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A1029 2.407 9.883 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A1029 1.872 10.453 -5.010 1.00 0.00 H new ATOM 1755 N ALA A1030 1.120 6.775 -2.495 1.00 0.00 N ATOM 1756 CA ALA A1030 2.020 5.943 -1.712 1.00 0.00 C ATOM 1757 C ALA A1030 2.638 4.872 -2.601 1.00 0.00 C ATOM 1758 O ALA A1030 3.847 4.659 -2.584 1.00 0.00 O ATOM 1759 CB ALA A1030 1.280 5.316 -0.539 1.00 0.00 C ATOM 0 H ALA A1030 0.162 6.803 -2.147 1.00 0.00 H new ATOM 0 HA ALA A1030 2.820 6.565 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A1030 1.968 4.697 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A1030 0.879 6.102 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.462 4.699 -0.912 1.00 0.00 H new ATOM 1765 N LEU A1031 1.796 4.225 -3.402 1.00 0.00 N ATOM 1766 CA LEU A1031 2.252 3.224 -4.360 1.00 0.00 C ATOM 1767 C LEU A1031 3.120 3.863 -5.437 1.00 0.00 C ATOM 1768 O LEU A1031 4.076 3.256 -5.921 1.00 0.00 O ATOM 1769 CB LEU A1031 1.054 2.537 -5.019 1.00 0.00 C ATOM 1770 CG LEU A1031 0.148 1.755 -4.070 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.066 1.230 -4.813 1.00 0.00 C ATOM 1772 CD2 LEU A1031 0.915 0.611 -3.432 1.00 0.00 C ATOM 0 H LEU A1031 0.788 4.378 -3.406 1.00 0.00 H new ATOM 0 HA LEU A1031 2.844 2.485 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.455 3.294 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.423 1.856 -5.786 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.192 2.426 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.702 0.675 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.627 2.066 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.743 0.571 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.257 0.063 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.280 -0.061 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.760 1.008 -2.870 1.00 0.00 H new ATOM 1784 N ALA A1032 2.779 5.094 -5.795 1.00 0.00 N ATOM 1785 CA ALA A1032 3.486 5.823 -6.840 1.00 0.00 C ATOM 1786 C ALA A1032 4.960 5.999 -6.497 1.00 0.00 C ATOM 1787 O ALA A1032 5.834 5.539 -7.233 1.00 0.00 O ATOM 1788 CB ALA A1032 2.827 7.175 -7.075 1.00 0.00 C ATOM 0 H ALA A1032 2.009 5.613 -5.372 1.00 0.00 H new ATOM 0 HA ALA A1032 3.429 5.237 -7.757 1.00 0.00 H new ATOM 0 HB1 ALA A1032 3.364 7.710 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.792 7.027 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.853 7.757 -6.154 1.00 0.00 H new ATOM 1794 N GLU A1033 5.243 6.647 -5.375 1.00 0.00 N ATOM 1795 CA GLU A1033 6.624 6.899 -4.995 1.00 0.00 C ATOM 1796 C GLU A1033 7.279 5.643 -4.435 1.00 0.00 C ATOM 1797 O GLU A1033 8.507 5.544 -4.401 1.00 0.00 O ATOM 1798 CB GLU A1033 6.728 8.062 -4.006 1.00 0.00 C ATOM 1799 CG GLU A1033 5.884 7.906 -2.755 1.00 0.00 C ATOM 1800 CD GLU A1033 6.061 9.078 -1.817 1.00 0.00 C ATOM 1801 OE1 GLU A1033 5.546 10.174 -2.125 1.00 0.00 O ATOM 1802 OE2 GLU A1033 6.729 8.918 -0.776 1.00 0.00 O ATOM 0 H GLU A1033 4.545 7.003 -4.721 1.00 0.00 H new ATOM 0 HA GLU A1033 7.165 7.184 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.771 8.179 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.435 8.981 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.834 7.816 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.158 6.984 -2.243 1.00 0.00 H new ATOM 1809 N LEU A1034 6.467 4.683 -4.005 1.00 0.00 N ATOM 1810 CA LEU A1034 6.981 3.380 -3.603 1.00 0.00 C ATOM 1811 C LEU A1034 7.596 2.682 -4.809 1.00 0.00 C ATOM 1812 O LEU A1034 8.731 2.210 -4.754 1.00 0.00 O ATOM 1813 CB LEU A1034 5.867 2.514 -3.007 1.00 0.00 C ATOM 1814 CG LEU A1034 6.294 1.119 -2.545 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.345 1.215 -1.453 1.00 0.00 C ATOM 1816 CD2 LEU A1034 5.088 0.330 -2.058 1.00 0.00 C ATOM 0 H LEU A1034 5.455 4.782 -3.926 1.00 0.00 H new ATOM 0 HA LEU A1034 7.743 3.526 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.435 3.043 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A1034 5.077 2.406 -3.751 1.00 0.00 H new ATOM 0 HG LEU A1034 6.731 0.594 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.635 0.213 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.219 1.743 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A1034 6.936 1.759 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.408 -0.660 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.624 0.854 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.367 0.230 -2.869 1.00 0.00 H new ATOM 1828 N ARG A1035 6.841 2.640 -5.902 1.00 0.00 N ATOM 1829 CA ARG A1035 7.325 2.060 -7.148 1.00 0.00 C ATOM 1830 C ARG A1035 8.532 2.841 -7.655 1.00 0.00 C ATOM 1831 O ARG A1035 9.520 2.259 -8.099 1.00 0.00 O ATOM 1832 CB ARG A1035 6.213 2.056 -8.204 1.00 0.00 C ATOM 1833 CG ARG A1035 6.640 1.452 -9.533 1.00 0.00 C ATOM 1834 CD ARG A1035 5.500 1.429 -10.538 1.00 0.00 C ATOM 1835 NE ARG A1035 5.893 0.770 -11.785 1.00 0.00 N ATOM 1836 CZ ARG A1035 5.063 0.522 -12.799 1.00 0.00 C ATOM 1837 NH1 ARG A1035 3.799 0.927 -12.748 1.00 0.00 N ATOM 1838 NH2 ARG A1035 5.503 -0.124 -13.873 1.00 0.00 N ATOM 0 H ARG A1035 5.889 3.002 -5.949 1.00 0.00 H new ATOM 0 HA ARG A1035 7.626 1.030 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A1035 5.359 1.499 -7.819 1.00 0.00 H new ATOM 0 HB3 ARG A1035 5.877 3.080 -8.370 1.00 0.00 H new ATOM 0 HG2 ARG A1035 7.472 2.025 -9.941 1.00 0.00 H new ATOM 0 HG3 ARG A1035 7.001 0.437 -9.371 1.00 0.00 H new ATOM 0 HD2 ARG A1035 4.644 0.910 -10.106 1.00 0.00 H new ATOM 0 HD3 ARG A1035 5.181 2.449 -10.750 1.00 0.00 H new ATOM 0 HE ARG A1035 6.866 0.481 -11.885 1.00 0.00 H new ATOM 0 HH11 ARG A1035 3.458 1.431 -11.930 1.00 0.00 H new ATOM 0 HH12 ARG A1035 3.170 0.734 -13.527 1.00 0.00 H new ATOM 0 HH21 ARG A1035 6.475 -0.430 -13.922 1.00 0.00 H new ATOM 0 HH22 ARG A1035 4.869 -0.314 -14.649 1.00 0.00 H new ATOM 1852 N THR A1036 8.444 4.162 -7.559 1.00 0.00 N ATOM 1853 CA THR A1036 9.519 5.046 -7.987 1.00 0.00 C ATOM 1854 C THR A1036 10.813 4.756 -7.214 1.00 0.00 C ATOM 1855 O THR A1036 11.894 4.653 -7.802 1.00 0.00 O ATOM 1856 CB THR A1036 9.113 6.524 -7.793 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.865 6.777 -8.457 1.00 0.00 O ATOM 1858 CG2 THR A1036 10.174 7.465 -8.342 1.00 0.00 C ATOM 0 H THR A1036 7.629 4.648 -7.184 1.00 0.00 H new ATOM 0 HA THR A1036 9.700 4.862 -9.046 1.00 0.00 H new ATOM 0 HB THR A1036 9.010 6.706 -6.723 1.00 0.00 H new ATOM 0 HG1 THR A1036 7.137 6.349 -7.959 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.859 8.497 -8.190 1.00 0.00 H new ATOM 0 HG22 THR A1036 11.117 7.293 -7.822 1.00 0.00 H new ATOM 0 HG23 THR A1036 10.308 7.280 -9.408 1.00 0.00 H new ATOM 1866 N ALA A1037 10.696 4.612 -5.898 1.00 0.00 N ATOM 1867 CA ALA A1037 11.848 4.328 -5.054 1.00 0.00 C ATOM 1868 C ALA A1037 12.384 2.927 -5.313 1.00 0.00 C ATOM 1869 O ALA A1037 13.578 2.751 -5.559 1.00 0.00 O ATOM 1870 CB ALA A1037 11.486 4.488 -3.586 1.00 0.00 C ATOM 0 H ALA A1037 9.813 4.688 -5.393 1.00 0.00 H new ATOM 0 HA ALA A1037 12.631 5.045 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A1037 12.359 4.272 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A1037 11.156 5.511 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.683 3.797 -3.332 1.00 0.00 H new ATOM 1876 N ALA A1038 11.489 1.943 -5.278 1.00 0.00 N ATOM 1877 CA ALA A1038 11.863 0.545 -5.465 1.00 0.00 C ATOM 1878 C ALA A1038 12.581 0.334 -6.792 1.00 0.00 C ATOM 1879 O ALA A1038 13.603 -0.342 -6.846 1.00 0.00 O ATOM 1880 CB ALA A1038 10.633 -0.349 -5.383 1.00 0.00 C ATOM 0 H ALA A1038 10.492 2.091 -5.121 1.00 0.00 H new ATOM 0 HA ALA A1038 12.552 0.275 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.929 -1.389 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A1038 10.165 -0.235 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.924 -0.064 -6.160 1.00 0.00 H new ATOM 1886 N GLN A1039 12.050 0.936 -7.853 1.00 0.00 N ATOM 1887 CA GLN A1039 12.636 0.824 -9.186 1.00 0.00 C ATOM 1888 C GLN A1039 14.096 1.269 -9.192 1.00 0.00 C ATOM 1889 O GLN A1039 14.984 0.524 -9.606 1.00 0.00 O ATOM 1890 CB GLN A1039 11.836 1.671 -10.182 1.00 0.00 C ATOM 1891 CG GLN A1039 12.468 1.756 -11.564 1.00 0.00 C ATOM 1892 CD GLN A1039 11.728 2.701 -12.490 1.00 0.00 C ATOM 1893 OE1 GLN A1039 10.510 2.862 -12.394 1.00 0.00 O ATOM 1894 NE2 GLN A1039 12.461 3.346 -13.382 1.00 0.00 N ATOM 0 H GLN A1039 11.208 1.511 -7.814 1.00 0.00 H new ATOM 0 HA GLN A1039 12.598 -0.225 -9.481 1.00 0.00 H new ATOM 0 HB2 GLN A1039 10.834 1.254 -10.276 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.725 2.678 -9.781 1.00 0.00 H new ATOM 0 HG2 GLN A1039 13.502 2.086 -11.466 1.00 0.00 H new ATOM 0 HG3 GLN A1039 12.491 0.762 -12.010 1.00 0.00 H new ATOM 0 HE21 GLN A1039 13.467 3.184 -13.429 1.00 0.00 H new ATOM 0 HE22 GLN A1039 12.020 4.006 -14.023 1.00 0.00 H new ATOM 1903 N LYS A1040 14.342 2.479 -8.708 1.00 0.00 N ATOM 1904 CA LYS A1040 15.674 3.068 -8.770 1.00 0.00 C ATOM 1905 C LYS A1040 16.625 2.429 -7.763 1.00 0.00 C ATOM 1906 O LYS A1040 17.841 2.586 -7.865 1.00 0.00 O ATOM 1907 CB LYS A1040 15.597 4.581 -8.558 1.00 0.00 C ATOM 1908 CG LYS A1040 14.912 5.310 -9.706 1.00 0.00 C ATOM 1909 CD LYS A1040 14.849 6.816 -9.486 1.00 0.00 C ATOM 1910 CE LYS A1040 13.739 7.219 -8.524 1.00 0.00 C ATOM 1911 NZ LYS A1040 14.026 6.827 -7.119 1.00 0.00 N ATOM 0 H LYS A1040 13.638 3.072 -8.268 1.00 0.00 H new ATOM 0 HA LYS A1040 16.076 2.872 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A1040 15.058 4.785 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A1040 16.605 4.976 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A1040 15.446 5.104 -10.633 1.00 0.00 H new ATOM 0 HG3 LYS A1040 13.901 4.921 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A1040 15.806 7.163 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A1040 14.694 7.314 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A1040 13.595 8.298 -8.573 1.00 0.00 H new ATOM 0 HE3 LYS A1040 12.804 6.758 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 13.589 7.513 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 13.635 5.881 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 15.055 6.813 -6.966 1.00 0.00 H new ATOM 1925 N ALA A1041 16.072 1.710 -6.794 1.00 0.00 N ATOM 1926 CA ALA A1041 16.887 0.994 -5.821 1.00 0.00 C ATOM 1927 C ALA A1041 17.168 -0.430 -6.296 1.00 0.00 C ATOM 1928 O ALA A1041 18.215 -1.002 -5.995 1.00 0.00 O ATOM 1929 CB ALA A1041 16.203 0.976 -4.462 1.00 0.00 C ATOM 0 H ALA A1041 15.066 1.607 -6.661 1.00 0.00 H new ATOM 0 HA ALA A1041 17.839 1.516 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.826 0.437 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A1041 16.056 1.999 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A1041 15.237 0.479 -4.548 1.00 0.00 H new ATOM 1935 N GLN A1042 16.226 -0.987 -7.049 1.00 0.00 N ATOM 1936 CA GLN A1042 16.347 -2.337 -7.589 1.00 0.00 C ATOM 1937 C GLN A1042 17.530 -2.435 -8.548 1.00 0.00 C ATOM 1938 O GLN A1042 18.289 -3.406 -8.522 1.00 0.00 O ATOM 1939 CB GLN A1042 15.052 -2.722 -8.311 1.00 0.00 C ATOM 1940 CG GLN A1042 15.068 -4.114 -8.919 1.00 0.00 C ATOM 1941 CD GLN A1042 13.783 -4.441 -9.659 1.00 0.00 C ATOM 1942 OE1 GLN A1042 13.110 -3.556 -10.187 1.00 0.00 O ATOM 1943 NE2 GLN A1042 13.438 -5.716 -9.715 1.00 0.00 N ATOM 0 H GLN A1042 15.357 -0.516 -7.302 1.00 0.00 H new ATOM 0 HA GLN A1042 16.520 -3.027 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A1042 14.223 -2.655 -7.607 1.00 0.00 H new ATOM 0 HB3 GLN A1042 14.859 -1.995 -9.100 1.00 0.00 H new ATOM 0 HG2 GLN A1042 15.910 -4.197 -9.606 1.00 0.00 H new ATOM 0 HG3 GLN A1042 15.226 -4.850 -8.130 1.00 0.00 H new ATOM 0 HE21 GLN A1042 14.021 -6.422 -9.265 1.00 0.00 H new ATOM 0 HE22 GLN A1042 12.589 -5.993 -10.208 1.00 0.00 H new