USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=23 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: A1022 GLN : amide:sc= -0.172 X(o=0.98,f=0.7) USER MOD Set 1.2: A1026 ASN : amide:sc= 1.15 K(o=0.98,f=-0.17) USER MOD Set 2.1: A 973 SER OG : rot -88:sc= 1.29 USER MOD Set 2.2: A 983 GLN : amide:sc= 0.287 K(o=1.6,f=0.24) USER MOD Set 3.1: A 976 GLN : amide:sc= 0.0329 X(o=0.067,f=-0.12) USER MOD Set 3.2: A 979 SER OG : rot 164:sc= 0.0339 USER MOD Set 4.1: A 937 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 4.2: A1016 SER OG : rot -120:sc= 1.2 USER MOD Single : A 915 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 919 HIS : no HE2:sc= 0.01 X(o=0.01,f=-0.15) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 GLN : amide:sc= -0.037 K(o=-0.037,f=-0.76) USER MOD Single : A 927 SER OG : rot 88:sc= 1.26 USER MOD Single : A 929 THR OG1 : rot 72:sc= 0.625 USER MOD Single : A 930 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.41) USER MOD Single : A 931 THR OG1 : rot 64:sc= 0.537 USER MOD Single : A 936 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 954 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.11) USER MOD Single : A 955 SER OG : rot 180:sc= 0 USER MOD Single : A 956 CYS SG : rot -19:sc= 1.02 USER MOD Single : A 957 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 962 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.046) USER MOD Single : A 968 GLN : amide:sc= -4.99! K(o=-5!,f=-0.62) USER MOD Single : A 974 GLN : amide:sc= -3.57! K(o=-3.6!,f=-0.78) USER MOD Single : A 981 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 990 SER OG : rot 72:sc= 1.13 USER MOD Single : A 991 GLN : amide:sc= -0.0125 K(o=-0.013,f=-1.3) USER MOD Single : A 992 SER OG : rot -39:sc= 0.363 USER MOD Single : A 995 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 999 LYS NZ :NH3+ 165:sc=-0.00287 (180deg=-0.133) USER MOD Single : A1000 MET CE :methyl 153:sc= -0.744 (180deg=-1.73) USER MOD Single : A1005 LYS NZ :NH3+ -160:sc= -0.104 (180deg=-0.533) USER MOD Single : A1007 SER OG : rot 93:sc= 1.27 USER MOD Single : A1010 THR OG1 : rot 6:sc= 0.907 USER MOD Single : A1012 GLN : amide:sc= -1.94! K(o=-1.9!,f=-0.41) USER MOD Single : A1014 GLN : amide:sc= -0.721 K(o=-0.72,f=-1.7) USER MOD Single : A1018 MET CE :methyl -110:sc= -2.51! (180deg=-5.45!) USER MOD Single : A1019 GLN : amide:sc= -0.928 K(o=-0.93,f=-0.08) USER MOD Single : A1021 SER OG : rot 180:sc= 0 USER MOD Single : A1023 CYS SG : rot 76:sc= 0.959 USER MOD Single : A1025 LYS NZ :NH3+ -169:sc=-0.00602 (180deg=-0.135) USER MOD Single : A1029 THR OG1 : rot 73:sc= 0.836 USER MOD Single : A1036 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A1039 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A1040 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1042 GLN : amide:sc= -0.902 K(o=-0.9,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 913 19.479 4.216 -2.772 1.00 0.00 N ATOM 90 CA LEU A 913 18.242 4.135 -3.532 1.00 0.00 C ATOM 91 C LEU A 913 17.195 3.292 -2.805 1.00 0.00 C ATOM 92 O LEU A 913 15.999 3.427 -3.055 1.00 0.00 O ATOM 93 CB LEU A 913 18.526 3.563 -4.922 1.00 0.00 C ATOM 94 CG LEU A 913 19.294 4.505 -5.854 1.00 0.00 C ATOM 95 CD1 LEU A 913 19.844 3.750 -7.052 1.00 0.00 C ATOM 96 CD2 LEU A 913 18.389 5.639 -6.315 1.00 0.00 C ATOM 0 HA LEU A 913 17.836 5.141 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 913 19.094 2.640 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.579 3.300 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 913 20.134 4.925 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.385 4.440 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.521 2.967 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 913 19.021 3.301 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 913 18.946 6.302 -6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 913 17.533 5.227 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 913 18.039 6.201 -5.449 1.00 0.00 H new ATOM 108 N VAL A 914 17.645 2.450 -1.881 1.00 0.00 N ATOM 109 CA VAL A 914 16.743 1.546 -1.168 1.00 0.00 C ATOM 110 C VAL A 914 16.138 2.207 0.068 1.00 0.00 C ATOM 111 O VAL A 914 15.045 1.846 0.495 1.00 0.00 O ATOM 112 CB VAL A 914 17.453 0.243 -0.753 1.00 0.00 C ATOM 113 CG1 VAL A 914 18.014 -0.467 -1.973 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.552 0.521 0.264 1.00 0.00 C ATOM 0 H VAL A 914 18.625 2.373 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 914 15.940 1.304 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 914 16.719 -0.410 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 914 18.512 -1.385 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 914 17.202 -0.709 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 914 18.731 0.183 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 914 19.037 -0.415 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 914 19.288 1.197 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 914 18.118 0.981 1.152 1.00 0.00 H new ATOM 124 N GLN A 915 16.841 3.180 0.632 1.00 0.00 N ATOM 125 CA GLN A 915 16.344 3.897 1.805 1.00 0.00 C ATOM 126 C GLN A 915 15.124 4.739 1.442 1.00 0.00 C ATOM 127 O GLN A 915 14.344 5.139 2.307 1.00 0.00 O ATOM 128 CB GLN A 915 17.454 4.758 2.400 1.00 0.00 C ATOM 129 CG GLN A 915 18.554 3.934 3.038 1.00 0.00 C ATOM 130 CD GLN A 915 19.747 4.767 3.440 1.00 0.00 C ATOM 131 OE1 GLN A 915 20.658 4.976 2.647 1.00 0.00 O ATOM 132 NE2 GLN A 915 19.758 5.236 4.672 1.00 0.00 N ATOM 0 H GLN A 915 17.754 3.492 0.300 1.00 0.00 H new ATOM 0 HA GLN A 915 16.033 3.173 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 915 17.882 5.384 1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 915 17.028 5.428 3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 915 18.158 3.426 3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 915 18.875 3.161 2.340 1.00 0.00 H new ATOM 0 HE21 GLN A 915 18.979 5.038 5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 915 20.546 5.797 4.997 1.00 0.00 H new ATOM 141 N ARG A 916 14.965 4.986 0.147 1.00 0.00 N ATOM 142 CA ARG A 916 13.775 5.646 -0.377 1.00 0.00 C ATOM 143 C ARG A 916 12.563 4.735 -0.203 1.00 0.00 C ATOM 144 O ARG A 916 11.450 5.191 0.054 1.00 0.00 O ATOM 145 CB ARG A 916 13.981 5.972 -1.859 1.00 0.00 C ATOM 146 CG ARG A 916 15.136 6.926 -2.119 1.00 0.00 C ATOM 147 CD ARG A 916 15.733 6.722 -3.504 1.00 0.00 C ATOM 148 NE ARG A 916 14.754 6.923 -4.571 1.00 0.00 N ATOM 149 CZ ARG A 916 14.269 5.948 -5.336 1.00 0.00 C ATOM 150 NH1 ARG A 916 14.661 4.690 -5.153 1.00 0.00 N ATOM 151 NH2 ARG A 916 13.382 6.233 -6.277 1.00 0.00 N ATOM 0 H ARG A 916 15.652 4.737 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 916 13.602 6.572 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 916 14.157 5.045 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 916 13.065 6.408 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 916 14.788 7.954 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 916 15.908 6.777 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 916 16.564 7.413 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 916 16.141 5.714 -3.575 1.00 0.00 H new ATOM 0 HE ARG A 916 14.421 7.872 -4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 916 15.337 4.468 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 916 14.285 3.948 -5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 916 13.074 7.196 -6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 916 13.007 5.490 -6.866 1.00 0.00 H new ATOM 165 N LEU A 917 12.809 3.433 -0.325 1.00 0.00 N ATOM 166 CA LEU A 917 11.771 2.423 -0.171 1.00 0.00 C ATOM 167 C LEU A 917 11.322 2.320 1.276 1.00 0.00 C ATOM 168 O LEU A 917 10.134 2.173 1.552 1.00 0.00 O ATOM 169 CB LEU A 917 12.283 1.066 -0.653 1.00 0.00 C ATOM 170 CG LEU A 917 12.200 0.834 -2.157 1.00 0.00 C ATOM 171 CD1 LEU A 917 12.940 -0.434 -2.540 1.00 0.00 C ATOM 172 CD2 LEU A 917 10.745 0.748 -2.588 1.00 0.00 C ATOM 0 H LEU A 917 13.732 3.051 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 917 10.915 2.721 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.322 0.957 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 917 11.716 0.283 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 917 12.671 1.674 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 917 12.871 -0.584 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 917 13.988 -0.345 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 917 12.494 -1.285 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 917 10.693 0.582 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 917 10.260 -0.079 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.236 1.680 -2.340 1.00 0.00 H new ATOM 184 N GLU A 918 12.284 2.403 2.194 1.00 0.00 N ATOM 185 CA GLU A 918 11.997 2.316 3.622 1.00 0.00 C ATOM 186 C GLU A 918 10.932 3.333 4.016 1.00 0.00 C ATOM 187 O GLU A 918 9.949 2.995 4.673 1.00 0.00 O ATOM 188 CB GLU A 918 13.268 2.560 4.436 1.00 0.00 C ATOM 189 CG GLU A 918 14.418 1.636 4.075 1.00 0.00 C ATOM 190 CD GLU A 918 15.641 1.864 4.941 1.00 0.00 C ATOM 191 OE1 GLU A 918 15.729 2.933 5.576 1.00 0.00 O ATOM 192 OE2 GLU A 918 16.518 0.969 4.996 1.00 0.00 O ATOM 0 H GLU A 918 13.271 2.531 1.972 1.00 0.00 H new ATOM 0 HA GLU A 918 11.625 1.314 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.586 3.593 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 918 13.038 2.441 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 918 14.093 0.600 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.685 1.785 3.029 1.00 0.00 H new ATOM 199 N HIS A 919 11.131 4.575 3.586 1.00 0.00 N ATOM 200 CA HIS A 919 10.191 5.654 3.873 1.00 0.00 C ATOM 201 C HIS A 919 8.817 5.355 3.278 1.00 0.00 C ATOM 202 O HIS A 919 7.804 5.372 3.983 1.00 0.00 O ATOM 203 CB HIS A 919 10.723 6.977 3.305 1.00 0.00 C ATOM 204 CG HIS A 919 9.812 8.144 3.532 1.00 0.00 C ATOM 205 ND1 HIS A 919 8.878 8.568 2.607 1.00 0.00 N ATOM 206 CD2 HIS A 919 9.696 8.981 4.589 1.00 0.00 C ATOM 207 CE1 HIS A 919 8.231 9.611 3.088 1.00 0.00 C ATOM 208 NE2 HIS A 919 8.704 9.881 4.289 1.00 0.00 N ATOM 0 H HIS A 919 11.940 4.861 3.034 1.00 0.00 H new ATOM 0 HA HIS A 919 10.088 5.737 4.955 1.00 0.00 H new ATOM 0 HB2 HIS A 919 11.692 7.192 3.756 1.00 0.00 H new ATOM 0 HB3 HIS A 919 10.889 6.861 2.234 1.00 0.00 H new ATOM 0 HD1 HIS A 919 8.715 8.141 1.695 1.00 0.00 H new ATOM 0 HD2 HIS A 919 10.276 8.947 5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 919 7.445 10.153 2.583 1.00 0.00 H new ATOM 216 N ALA A 920 8.799 5.076 1.983 1.00 0.00 N ATOM 217 CA ALA A 920 7.555 4.873 1.255 1.00 0.00 C ATOM 218 C ALA A 920 6.759 3.702 1.817 1.00 0.00 C ATOM 219 O ALA A 920 5.580 3.841 2.126 1.00 0.00 O ATOM 220 CB ALA A 920 7.845 4.662 -0.222 1.00 0.00 C ATOM 0 H ALA A 920 9.639 4.984 1.411 1.00 0.00 H new ATOM 0 HA ALA A 920 6.945 5.769 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 920 6.908 4.511 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.355 5.539 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.480 3.785 -0.346 1.00 0.00 H new ATOM 226 N ALA A 921 7.422 2.562 1.977 1.00 0.00 N ATOM 227 CA ALA A 921 6.753 1.331 2.382 1.00 0.00 C ATOM 228 C ALA A 921 6.143 1.435 3.778 1.00 0.00 C ATOM 229 O ALA A 921 5.078 0.875 4.031 1.00 0.00 O ATOM 230 CB ALA A 921 7.715 0.158 2.308 1.00 0.00 C ATOM 0 H ALA A 921 8.427 2.465 1.832 1.00 0.00 H new ATOM 0 HA ALA A 921 5.932 1.165 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.201 -0.754 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.075 0.047 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.560 0.338 2.972 1.00 0.00 H new ATOM 236 N LYS A 922 6.808 2.158 4.678 1.00 0.00 N ATOM 237 CA LYS A 922 6.303 2.316 6.043 1.00 0.00 C ATOM 238 C LYS A 922 4.924 2.960 6.044 1.00 0.00 C ATOM 239 O LYS A 922 3.973 2.412 6.608 1.00 0.00 O ATOM 240 CB LYS A 922 7.257 3.152 6.897 1.00 0.00 C ATOM 241 CG LYS A 922 8.510 2.411 7.327 1.00 0.00 C ATOM 242 CD LYS A 922 9.390 3.258 8.237 1.00 0.00 C ATOM 243 CE LYS A 922 9.907 4.503 7.530 1.00 0.00 C ATOM 244 NZ LYS A 922 10.825 5.293 8.390 1.00 0.00 N ATOM 0 H LYS A 922 7.688 2.639 4.491 1.00 0.00 H new ATOM 0 HA LYS A 922 6.230 1.318 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.547 4.040 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.727 3.495 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 922 8.229 1.494 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 922 9.078 2.117 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 922 8.822 3.552 9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 922 10.233 2.661 8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 922 10.427 4.212 6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 922 9.064 5.126 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 11.153 6.131 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 10.323 5.594 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 11.643 4.708 8.654 1.00 0.00 H new ATOM 258 N GLN A 923 4.806 4.115 5.404 1.00 0.00 N ATOM 259 CA GLN A 923 3.538 4.829 5.389 1.00 0.00 C ATOM 260 C GLN A 923 2.587 4.247 4.347 1.00 0.00 C ATOM 261 O GLN A 923 1.380 4.482 4.403 1.00 0.00 O ATOM 262 CB GLN A 923 3.747 6.329 5.169 1.00 0.00 C ATOM 263 CG GLN A 923 4.564 6.678 3.941 1.00 0.00 C ATOM 264 CD GLN A 923 4.751 8.174 3.790 1.00 0.00 C ATOM 265 OE1 GLN A 923 4.768 8.913 4.776 1.00 0.00 O ATOM 266 NE2 GLN A 923 4.897 8.631 2.562 1.00 0.00 N ATOM 0 H GLN A 923 5.562 4.572 4.895 1.00 0.00 H new ATOM 0 HA GLN A 923 3.077 4.699 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 923 2.772 6.811 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.239 6.747 6.047 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.539 6.195 4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 923 4.071 6.283 3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 923 4.877 7.986 1.772 1.00 0.00 H new ATOM 0 HE22 GLN A 923 5.030 9.630 2.402 1.00 0.00 H new ATOM 275 N ALA A 924 3.123 3.483 3.403 1.00 0.00 N ATOM 276 CA ALA A 924 2.286 2.756 2.454 1.00 0.00 C ATOM 277 C ALA A 924 1.532 1.652 3.177 1.00 0.00 C ATOM 278 O ALA A 924 0.316 1.525 3.041 1.00 0.00 O ATOM 279 CB ALA A 924 3.120 2.177 1.320 1.00 0.00 C ATOM 0 H ALA A 924 4.126 3.351 3.274 1.00 0.00 H new ATOM 0 HA ALA A 924 1.570 3.453 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.471 1.641 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.626 2.985 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.862 1.490 1.728 1.00 0.00 H new ATOM 285 N ALA A 925 2.265 0.874 3.967 1.00 0.00 N ATOM 286 CA ALA A 925 1.678 -0.185 4.776 1.00 0.00 C ATOM 287 C ALA A 925 0.657 0.389 5.757 1.00 0.00 C ATOM 288 O ALA A 925 -0.393 -0.210 6.011 1.00 0.00 O ATOM 289 CB ALA A 925 2.774 -0.939 5.519 1.00 0.00 C ATOM 0 H ALA A 925 3.277 0.960 4.063 1.00 0.00 H new ATOM 0 HA ALA A 925 1.158 -0.881 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.327 -1.730 6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.465 -1.378 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.314 -0.250 6.168 1.00 0.00 H new ATOM 295 N ALA A 926 0.971 1.565 6.290 1.00 0.00 N ATOM 296 CA ALA A 926 0.074 2.266 7.201 1.00 0.00 C ATOM 297 C ALA A 926 -1.204 2.690 6.487 1.00 0.00 C ATOM 298 O ALA A 926 -2.308 2.349 6.912 1.00 0.00 O ATOM 299 CB ALA A 926 0.771 3.484 7.784 1.00 0.00 C ATOM 0 H ALA A 926 1.846 2.055 6.105 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.194 1.585 8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 926 0.093 4.001 8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.660 3.168 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 926 1.061 4.158 6.978 1.00 0.00 H new ATOM 305 N SER A 927 -1.040 3.420 5.391 1.00 0.00 N ATOM 306 CA SER A 927 -2.168 3.919 4.617 1.00 0.00 C ATOM 307 C SER A 927 -3.027 2.771 4.093 1.00 0.00 C ATOM 308 O SER A 927 -4.249 2.888 4.004 1.00 0.00 O ATOM 309 CB SER A 927 -1.658 4.773 3.458 1.00 0.00 C ATOM 310 OG SER A 927 -0.859 5.842 3.937 1.00 0.00 O ATOM 0 H SER A 927 -0.128 3.681 5.016 1.00 0.00 H new ATOM 0 HA SER A 927 -2.792 4.531 5.269 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.076 4.156 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 927 -2.502 5.168 2.892 1.00 0.00 H new ATOM 0 HG SER A 927 0.072 5.545 4.015 1.00 0.00 H new ATOM 316 N ALA A 928 -2.384 1.660 3.755 1.00 0.00 N ATOM 317 CA ALA A 928 -3.096 0.468 3.318 1.00 0.00 C ATOM 318 C ALA A 928 -3.998 -0.052 4.427 1.00 0.00 C ATOM 319 O ALA A 928 -5.166 -0.353 4.193 1.00 0.00 O ATOM 320 CB ALA A 928 -2.118 -0.607 2.885 1.00 0.00 C ATOM 0 H ALA A 928 -1.369 1.561 3.776 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.718 0.734 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.668 -1.491 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.511 -0.235 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.471 -0.869 3.722 1.00 0.00 H new ATOM 326 N THR A 929 -3.453 -0.129 5.635 1.00 0.00 N ATOM 327 CA THR A 929 -4.215 -0.575 6.795 1.00 0.00 C ATOM 328 C THR A 929 -5.396 0.365 7.056 1.00 0.00 C ATOM 329 O THR A 929 -6.481 -0.072 7.445 1.00 0.00 O ATOM 330 CB THR A 929 -3.317 -0.655 8.050 1.00 0.00 C ATOM 331 OG1 THR A 929 -2.173 -1.484 7.782 1.00 0.00 O ATOM 332 CG2 THR A 929 -4.079 -1.223 9.237 1.00 0.00 C ATOM 0 H THR A 929 -2.483 0.113 5.837 1.00 0.00 H new ATOM 0 HA THR A 929 -4.598 -1.573 6.580 1.00 0.00 H new ATOM 0 HB THR A 929 -2.994 0.357 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.563 -1.014 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.421 -1.267 10.105 1.00 0.00 H new ATOM 0 HG22 THR A 929 -4.933 -0.583 9.461 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.431 -2.226 8.997 1.00 0.00 H new ATOM 340 N GLN A 930 -5.185 1.656 6.818 1.00 0.00 N ATOM 341 CA GLN A 930 -6.250 2.645 6.958 1.00 0.00 C ATOM 342 C GLN A 930 -7.317 2.445 5.885 1.00 0.00 C ATOM 343 O GLN A 930 -8.511 2.550 6.158 1.00 0.00 O ATOM 344 CB GLN A 930 -5.684 4.064 6.876 1.00 0.00 C ATOM 345 CG GLN A 930 -4.765 4.418 8.032 1.00 0.00 C ATOM 346 CD GLN A 930 -5.443 4.271 9.381 1.00 0.00 C ATOM 347 OE1 GLN A 930 -5.391 3.212 10.004 1.00 0.00 O ATOM 348 NE2 GLN A 930 -6.099 5.328 9.830 1.00 0.00 N ATOM 0 H GLN A 930 -4.287 2.042 6.527 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.710 2.508 7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.136 4.175 5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.510 4.775 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -3.884 3.777 8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -4.417 5.444 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -6.117 6.188 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -6.587 5.283 10.725 1.00 0.00 H new ATOM 357 N THR A 931 -6.877 2.141 4.669 1.00 0.00 N ATOM 358 CA THR A 931 -7.792 1.902 3.563 1.00 0.00 C ATOM 359 C THR A 931 -8.614 0.637 3.812 1.00 0.00 C ATOM 360 O THR A 931 -9.809 0.595 3.526 1.00 0.00 O ATOM 361 CB THR A 931 -7.033 1.781 2.225 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.145 2.896 2.069 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.001 1.740 1.050 1.00 0.00 C ATOM 0 H THR A 931 -5.890 2.055 4.426 1.00 0.00 H new ATOM 0 HA THR A 931 -8.465 2.757 3.499 1.00 0.00 H new ATOM 0 HB THR A 931 -6.463 0.852 2.240 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.459 2.868 2.768 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.440 1.655 0.119 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.664 0.881 1.154 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.593 2.655 1.034 1.00 0.00 H new ATOM 371 N ILE A 932 -7.965 -0.386 4.363 1.00 0.00 N ATOM 372 CA ILE A 932 -8.651 -1.623 4.720 1.00 0.00 C ATOM 373 C ILE A 932 -9.691 -1.357 5.808 1.00 0.00 C ATOM 374 O ILE A 932 -10.809 -1.868 5.750 1.00 0.00 O ATOM 375 CB ILE A 932 -7.654 -2.703 5.201 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.683 -3.064 4.073 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.393 -3.945 5.681 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.625 -4.069 4.475 1.00 0.00 C ATOM 0 H ILE A 932 -6.967 -0.382 4.571 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.150 -1.995 3.825 1.00 0.00 H new ATOM 0 HB ILE A 932 -7.086 -2.299 6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.250 -3.464 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.193 -2.155 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.672 -4.691 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -9.050 -3.680 6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -8.986 -4.354 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -4.976 -4.274 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -5.032 -3.664 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -6.105 -4.993 4.796 1.00 0.00 H new ATOM 390 N ALA A 933 -9.320 -0.534 6.783 1.00 0.00 N ATOM 391 CA ALA A 933 -10.236 -0.150 7.849 1.00 0.00 C ATOM 392 C ALA A 933 -11.427 0.616 7.285 1.00 0.00 C ATOM 393 O ALA A 933 -12.564 0.429 7.722 1.00 0.00 O ATOM 394 CB ALA A 933 -9.515 0.689 8.893 1.00 0.00 C ATOM 0 H ALA A 933 -8.391 -0.120 6.856 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.605 -1.058 8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.214 0.967 9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.695 0.112 9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.118 1.590 8.425 1.00 0.00 H new ATOM 400 N ALA A 934 -11.158 1.476 6.310 1.00 0.00 N ATOM 401 CA ALA A 934 -12.206 2.223 5.634 1.00 0.00 C ATOM 402 C ALA A 934 -13.113 1.285 4.848 1.00 0.00 C ATOM 403 O ALA A 934 -14.333 1.410 4.885 1.00 0.00 O ATOM 404 CB ALA A 934 -11.599 3.266 4.710 1.00 0.00 C ATOM 0 H ALA A 934 -10.217 1.672 5.970 1.00 0.00 H new ATOM 0 HA ALA A 934 -12.807 2.731 6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.396 3.817 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -10.989 3.957 5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -10.976 2.773 3.964 1.00 0.00 H new ATOM 410 N ALA A 935 -12.498 0.334 4.154 1.00 0.00 N ATOM 411 CA ALA A 935 -13.231 -0.626 3.340 1.00 0.00 C ATOM 412 C ALA A 935 -14.127 -1.513 4.202 1.00 0.00 C ATOM 413 O ALA A 935 -15.289 -1.751 3.867 1.00 0.00 O ATOM 414 CB ALA A 935 -12.257 -1.473 2.533 1.00 0.00 C ATOM 0 H ALA A 935 -11.486 0.208 4.140 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.874 -0.074 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.813 -2.188 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.666 -0.828 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.594 -2.010 3.211 1.00 0.00 H new ATOM 420 N GLN A 936 -13.594 -1.978 5.327 1.00 0.00 N ATOM 421 CA GLN A 936 -14.348 -2.838 6.236 1.00 0.00 C ATOM 422 C GLN A 936 -15.364 -2.041 7.053 1.00 0.00 C ATOM 423 O GLN A 936 -16.145 -2.608 7.815 1.00 0.00 O ATOM 424 CB GLN A 936 -13.400 -3.601 7.164 1.00 0.00 C ATOM 425 CG GLN A 936 -12.655 -4.727 6.464 1.00 0.00 C ATOM 426 CD GLN A 936 -11.712 -5.472 7.389 1.00 0.00 C ATOM 427 OE1 GLN A 936 -11.929 -5.536 8.601 1.00 0.00 O ATOM 428 NE2 GLN A 936 -10.664 -6.048 6.822 1.00 0.00 N ATOM 0 H GLN A 936 -12.642 -1.774 5.632 1.00 0.00 H new ATOM 0 HA GLN A 936 -14.900 -3.555 5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -12.677 -2.904 7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -13.970 -4.014 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -13.376 -5.429 6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -12.088 -4.317 5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -10.522 -5.970 5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -9.998 -6.570 7.392 1.00 0.00 H new ATOM 437 N HIS A 937 -15.346 -0.727 6.904 1.00 0.00 N ATOM 438 CA HIS A 937 -16.357 0.110 7.532 1.00 0.00 C ATOM 439 C HIS A 937 -17.318 0.621 6.469 1.00 0.00 C ATOM 440 O HIS A 937 -18.352 1.214 6.768 1.00 0.00 O ATOM 441 CB HIS A 937 -15.712 1.278 8.279 1.00 0.00 C ATOM 442 CG HIS A 937 -16.605 1.881 9.320 1.00 0.00 C ATOM 443 ND1 HIS A 937 -16.809 1.300 10.552 1.00 0.00 N ATOM 444 CD2 HIS A 937 -17.348 3.013 9.314 1.00 0.00 C ATOM 445 CE1 HIS A 937 -17.637 2.045 11.258 1.00 0.00 C ATOM 446 NE2 HIS A 937 -17.979 3.091 10.532 1.00 0.00 N ATOM 0 H HIS A 937 -14.649 -0.219 6.359 1.00 0.00 H new ATOM 0 HA HIS A 937 -16.907 -0.485 8.260 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -14.793 0.934 8.754 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -15.431 2.048 7.561 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -17.429 3.722 8.503 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -17.977 1.834 12.261 1.00 0.00 H new ATOM 0 HE2 HIS A 937 -18.609 3.837 10.827 1.00 0.00 H new ATOM 614 N LEU A 951 -15.830 -5.274 -4.191 1.00 0.00 N ATOM 615 CA LEU A 951 -14.609 -6.057 -4.361 1.00 0.00 C ATOM 616 C LEU A 951 -13.600 -5.727 -3.268 1.00 0.00 C ATOM 617 O LEU A 951 -12.506 -6.291 -3.228 1.00 0.00 O ATOM 618 CB LEU A 951 -13.982 -5.810 -5.734 1.00 0.00 C ATOM 619 CG LEU A 951 -14.792 -6.317 -6.927 1.00 0.00 C ATOM 620 CD1 LEU A 951 -15.885 -5.330 -7.310 1.00 0.00 C ATOM 621 CD2 LEU A 951 -13.876 -6.589 -8.103 1.00 0.00 C ATOM 0 HA LEU A 951 -14.881 -7.110 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -13.823 -4.738 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -13.000 -6.283 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 951 -15.277 -7.250 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -16.444 -5.718 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -16.560 -5.190 -6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -15.435 -4.374 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -14.464 -6.950 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -13.363 -5.669 -8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -13.141 -7.344 -7.824 1.00 0.00 H new ATOM 633 N LEU A 952 -13.993 -4.814 -2.378 1.00 0.00 N ATOM 634 CA LEU A 952 -13.144 -4.377 -1.270 1.00 0.00 C ATOM 635 C LEU A 952 -12.588 -5.563 -0.494 1.00 0.00 C ATOM 636 O LEU A 952 -11.378 -5.683 -0.319 1.00 0.00 O ATOM 637 CB LEU A 952 -13.937 -3.475 -0.319 1.00 0.00 C ATOM 638 CG LEU A 952 -14.392 -2.141 -0.908 1.00 0.00 C ATOM 639 CD1 LEU A 952 -15.262 -1.391 0.087 1.00 0.00 C ATOM 640 CD2 LEU A 952 -13.188 -1.297 -1.303 1.00 0.00 C ATOM 0 H LEU A 952 -14.905 -4.359 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 952 -12.309 -3.820 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.816 -4.021 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -13.324 -3.275 0.560 1.00 0.00 H new ATOM 0 HG LEU A 952 -14.983 -2.341 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -15.578 -0.443 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -16.140 -1.991 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -14.693 -1.201 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -13.529 -0.350 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -12.574 -1.105 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -12.598 -1.831 -2.048 1.00 0.00 H new ATOM 652 N VAL A 953 -13.483 -6.445 -0.059 1.00 0.00 N ATOM 653 CA VAL A 953 -13.108 -7.593 0.760 1.00 0.00 C ATOM 654 C VAL A 953 -12.014 -8.416 0.086 1.00 0.00 C ATOM 655 O VAL A 953 -11.062 -8.842 0.732 1.00 0.00 O ATOM 656 CB VAL A 953 -14.325 -8.501 1.049 1.00 0.00 C ATOM 657 CG1 VAL A 953 -13.939 -9.656 1.961 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.464 -7.693 1.655 1.00 0.00 C ATOM 0 H VAL A 953 -14.481 -6.385 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.729 -7.200 1.703 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.667 -8.920 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -14.813 -10.279 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.163 -10.254 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.564 -9.264 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.312 -8.350 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -15.132 -7.240 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.765 -6.910 0.959 1.00 0.00 H new ATOM 668 N GLN A 954 -12.143 -8.607 -1.221 1.00 0.00 N ATOM 669 CA GLN A 954 -11.186 -9.411 -1.971 1.00 0.00 C ATOM 670 C GLN A 954 -9.803 -8.769 -1.951 1.00 0.00 C ATOM 671 O GLN A 954 -8.816 -9.411 -1.583 1.00 0.00 O ATOM 672 CB GLN A 954 -11.655 -9.596 -3.417 1.00 0.00 C ATOM 673 CG GLN A 954 -13.038 -10.214 -3.542 1.00 0.00 C ATOM 674 CD GLN A 954 -13.170 -11.518 -2.780 1.00 0.00 C ATOM 675 OE1 GLN A 954 -12.882 -12.592 -3.308 1.00 0.00 O ATOM 676 NE2 GLN A 954 -13.632 -11.438 -1.543 1.00 0.00 N ATOM 0 H GLN A 954 -12.900 -8.217 -1.783 1.00 0.00 H new ATOM 0 HA GLN A 954 -11.122 -10.388 -1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -11.655 -8.627 -3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -10.938 -10.225 -3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -13.782 -9.507 -3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -13.259 -10.390 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -13.859 -10.528 -1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -13.761 -12.286 -0.991 1.00 0.00 H new ATOM 685 N SER A 955 -9.743 -7.500 -2.327 1.00 0.00 N ATOM 686 CA SER A 955 -8.483 -6.780 -2.389 1.00 0.00 C ATOM 687 C SER A 955 -7.863 -6.630 -0.998 1.00 0.00 C ATOM 688 O SER A 955 -6.654 -6.800 -0.832 1.00 0.00 O ATOM 689 CB SER A 955 -8.705 -5.408 -3.024 1.00 0.00 C ATOM 690 OG SER A 955 -9.375 -5.529 -4.267 1.00 0.00 O ATOM 0 H SER A 955 -10.557 -6.947 -2.595 1.00 0.00 H new ATOM 0 HA SER A 955 -7.788 -7.353 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 955 -9.290 -4.781 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 955 -7.746 -4.911 -3.170 1.00 0.00 H new ATOM 0 HG SER A 955 -9.508 -4.639 -4.655 1.00 0.00 H new ATOM 696 N CYS A 956 -8.699 -6.338 -0.001 1.00 0.00 N ATOM 697 CA CYS A 956 -8.227 -6.143 1.367 1.00 0.00 C ATOM 698 C CYS A 956 -7.520 -7.384 1.899 1.00 0.00 C ATOM 699 O CYS A 956 -6.520 -7.271 2.608 1.00 0.00 O ATOM 700 CB CYS A 956 -9.386 -5.764 2.292 1.00 0.00 C ATOM 701 SG CYS A 956 -10.086 -4.132 1.956 1.00 0.00 S ATOM 0 H CYS A 956 -9.707 -6.232 -0.117 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.507 -5.325 1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -10.173 -6.513 2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -9.039 -5.794 3.325 1.00 0.00 H new ATOM 0 HG CYS A 956 -9.231 -3.424 1.279 1.00 0.00 H new ATOM 707 N LYS A 957 -8.034 -8.565 1.552 1.00 0.00 N ATOM 708 CA LYS A 957 -7.408 -9.817 1.966 1.00 0.00 C ATOM 709 C LYS A 957 -5.961 -9.861 1.497 1.00 0.00 C ATOM 710 O LYS A 957 -5.047 -10.063 2.295 1.00 0.00 O ATOM 711 CB LYS A 957 -8.150 -11.025 1.394 1.00 0.00 C ATOM 712 CG LYS A 957 -9.582 -11.174 1.884 1.00 0.00 C ATOM 713 CD LYS A 957 -10.223 -12.449 1.351 1.00 0.00 C ATOM 714 CE LYS A 957 -10.239 -12.491 -0.171 1.00 0.00 C ATOM 715 NZ LYS A 957 -10.795 -13.767 -0.691 1.00 0.00 N ATOM 0 H LYS A 957 -8.877 -8.679 0.989 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.449 -9.860 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -8.157 -10.950 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -7.596 -11.929 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.596 -11.186 2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -10.168 -10.311 1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -9.679 -13.314 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -11.244 -12.525 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -10.831 -11.658 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -9.225 -12.358 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -10.787 -13.751 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -10.216 -14.562 -0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -11.772 -13.883 -0.355 1.00 0.00 H new ATOM 729 N ALA A 958 -5.770 -9.649 0.201 1.00 0.00 N ATOM 730 CA ALA A 958 -4.444 -9.696 -0.400 1.00 0.00 C ATOM 731 C ALA A 958 -3.529 -8.630 0.194 1.00 0.00 C ATOM 732 O ALA A 958 -2.402 -8.923 0.596 1.00 0.00 O ATOM 733 CB ALA A 958 -4.546 -9.529 -1.909 1.00 0.00 C ATOM 0 H ALA A 958 -6.521 -9.442 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 958 -4.007 -10.670 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -3.549 -9.566 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.155 -10.333 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.008 -8.569 -2.138 1.00 0.00 H new ATOM 739 N VAL A 959 -4.028 -7.400 0.267 1.00 0.00 N ATOM 740 CA VAL A 959 -3.245 -6.282 0.784 1.00 0.00 C ATOM 741 C VAL A 959 -2.798 -6.539 2.222 1.00 0.00 C ATOM 742 O VAL A 959 -1.640 -6.305 2.569 1.00 0.00 O ATOM 743 CB VAL A 959 -4.039 -4.957 0.718 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.247 -3.813 1.331 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.409 -4.632 -0.720 1.00 0.00 C ATOM 0 H VAL A 959 -4.973 -7.152 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.363 -6.192 0.150 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.954 -5.083 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.830 -2.894 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -3.032 -4.038 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.311 -3.686 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.968 -3.696 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.502 -4.532 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -5.024 -5.434 -1.128 1.00 0.00 H new ATOM 755 N ALA A 960 -3.709 -7.056 3.043 1.00 0.00 N ATOM 756 CA ALA A 960 -3.417 -7.317 4.450 1.00 0.00 C ATOM 757 C ALA A 960 -2.313 -8.360 4.616 1.00 0.00 C ATOM 758 O ALA A 960 -1.686 -8.448 5.674 1.00 0.00 O ATOM 759 CB ALA A 960 -4.675 -7.764 5.179 1.00 0.00 C ATOM 0 H ALA A 960 -4.657 -7.303 2.758 1.00 0.00 H new ATOM 0 HA ALA A 960 -3.061 -6.385 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.440 -7.954 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.431 -6.982 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -5.056 -8.677 4.721 1.00 0.00 H new ATOM 765 N GLU A 961 -2.076 -9.149 3.575 1.00 0.00 N ATOM 766 CA GLU A 961 -1.031 -10.166 3.608 1.00 0.00 C ATOM 767 C GLU A 961 0.291 -9.594 3.107 1.00 0.00 C ATOM 768 O GLU A 961 1.365 -10.102 3.430 1.00 0.00 O ATOM 769 CB GLU A 961 -1.429 -11.368 2.754 1.00 0.00 C ATOM 770 CG GLU A 961 -2.782 -11.949 3.122 1.00 0.00 C ATOM 771 CD GLU A 961 -3.145 -13.163 2.296 1.00 0.00 C ATOM 772 OE1 GLU A 961 -2.787 -13.199 1.099 1.00 0.00 O ATOM 773 OE2 GLU A 961 -3.778 -14.095 2.839 1.00 0.00 O ATOM 0 H GLU A 961 -2.593 -9.104 2.697 1.00 0.00 H new ATOM 0 HA GLU A 961 -0.906 -10.490 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.443 -11.070 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.670 -12.143 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -2.780 -12.221 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -3.548 -11.185 2.991 1.00 0.00 H new ATOM 780 N GLN A 962 0.206 -8.527 2.323 1.00 0.00 N ATOM 781 CA GLN A 962 1.390 -7.916 1.734 1.00 0.00 C ATOM 782 C GLN A 962 1.966 -6.844 2.657 1.00 0.00 C ATOM 783 O GLN A 962 3.160 -6.550 2.609 1.00 0.00 O ATOM 784 CB GLN A 962 1.046 -7.310 0.370 1.00 0.00 C ATOM 785 CG GLN A 962 0.411 -8.300 -0.595 1.00 0.00 C ATOM 786 CD GLN A 962 1.306 -9.486 -0.914 1.00 0.00 C ATOM 787 OE1 GLN A 962 0.821 -10.598 -1.131 1.00 0.00 O ATOM 788 NE2 GLN A 962 2.609 -9.256 -0.973 1.00 0.00 N ATOM 0 H GLN A 962 -0.671 -8.067 2.080 1.00 0.00 H new ATOM 0 HA GLN A 962 2.145 -8.691 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.366 -6.471 0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 962 1.955 -6.909 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.524 -8.663 -0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.160 -7.784 -1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 962 2.971 -8.321 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 962 3.251 -10.014 -1.205 1.00 0.00 H new ATOM 797 N ILE A 963 1.107 -6.268 3.495 1.00 0.00 N ATOM 798 CA ILE A 963 1.521 -5.249 4.462 1.00 0.00 C ATOM 799 C ILE A 963 2.663 -5.743 5.368 1.00 0.00 C ATOM 800 O ILE A 963 3.704 -5.087 5.453 1.00 0.00 O ATOM 801 CB ILE A 963 0.330 -4.770 5.326 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.695 -4.045 4.451 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.806 -3.864 6.456 1.00 0.00 C ATOM 804 CD1 ILE A 963 -1.949 -3.633 5.191 1.00 0.00 C ATOM 0 H ILE A 963 0.112 -6.491 3.525 1.00 0.00 H new ATOM 0 HA ILE A 963 1.892 -4.405 3.881 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.144 -5.643 5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.229 -3.158 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -0.972 -4.693 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -0.050 -3.541 7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.502 -4.411 7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.307 -2.992 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.626 -3.125 4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.439 -4.518 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.686 -2.959 6.006 1.00 0.00 H new ATOM 816 N PRO A 964 2.504 -6.899 6.057 1.00 0.00 N ATOM 817 CA PRO A 964 3.565 -7.451 6.904 1.00 0.00 C ATOM 818 C PRO A 964 4.840 -7.730 6.119 1.00 0.00 C ATOM 819 O PRO A 964 5.941 -7.615 6.656 1.00 0.00 O ATOM 820 CB PRO A 964 2.972 -8.759 7.449 1.00 0.00 C ATOM 821 CG PRO A 964 1.816 -9.066 6.560 1.00 0.00 C ATOM 822 CD PRO A 964 1.296 -7.740 6.089 1.00 0.00 C ATOM 0 HA PRO A 964 3.855 -6.752 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.708 -9.563 7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 964 2.652 -8.645 8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 964 2.124 -9.686 5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.046 -9.619 7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.831 -7.816 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.543 -7.338 6.767 1.00 0.00 H new ATOM 830 N LEU A 965 4.687 -8.078 4.843 1.00 0.00 N ATOM 831 CA LEU A 965 5.830 -8.348 3.979 1.00 0.00 C ATOM 832 C LEU A 965 6.611 -7.071 3.700 1.00 0.00 C ATOM 833 O LEU A 965 7.844 -7.088 3.660 1.00 0.00 O ATOM 834 CB LEU A 965 5.377 -8.993 2.668 1.00 0.00 C ATOM 835 CG LEU A 965 4.873 -10.430 2.800 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.416 -10.963 1.452 1.00 0.00 C ATOM 837 CD2 LEU A 965 5.964 -11.315 3.384 1.00 0.00 C ATOM 0 H LEU A 965 3.781 -8.179 4.386 1.00 0.00 H new ATOM 0 HA LEU A 965 6.487 -9.046 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.584 -8.383 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.210 -8.978 1.966 1.00 0.00 H new ATOM 0 HG LEU A 965 4.018 -10.439 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 965 4.061 -11.987 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.608 -10.340 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 965 5.251 -10.945 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.595 -12.337 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.834 -11.300 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 965 6.246 -10.943 4.369 1.00 0.00 H new ATOM 849 N LEU A 966 5.892 -5.970 3.509 1.00 0.00 N ATOM 850 CA LEU A 966 6.524 -4.664 3.367 1.00 0.00 C ATOM 851 C LEU A 966 7.371 -4.366 4.584 1.00 0.00 C ATOM 852 O LEU A 966 8.579 -4.183 4.485 1.00 0.00 O ATOM 853 CB LEU A 966 5.486 -3.552 3.228 1.00 0.00 C ATOM 854 CG LEU A 966 4.684 -3.533 1.936 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.719 -2.362 1.962 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.609 -3.438 0.732 1.00 0.00 C ATOM 0 H LEU A 966 4.874 -5.956 3.449 1.00 0.00 H new ATOM 0 HA LEU A 966 7.138 -4.696 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.788 -3.630 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 966 5.996 -2.594 3.327 1.00 0.00 H new ATOM 0 HG LEU A 966 4.119 -4.462 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 966 3.142 -2.345 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 966 3.042 -2.467 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.279 -1.431 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.016 -3.426 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 966 6.196 -2.522 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.278 -4.298 0.719 1.00 0.00 H new ATOM 868 N VAL A 967 6.716 -4.347 5.737 1.00 0.00 N ATOM 869 CA VAL A 967 7.364 -3.988 6.987 1.00 0.00 C ATOM 870 C VAL A 967 8.494 -4.961 7.320 1.00 0.00 C ATOM 871 O VAL A 967 9.520 -4.561 7.867 1.00 0.00 O ATOM 872 CB VAL A 967 6.342 -3.936 8.139 1.00 0.00 C ATOM 873 CG1 VAL A 967 6.994 -3.448 9.424 1.00 0.00 C ATOM 874 CG2 VAL A 967 5.171 -3.040 7.761 1.00 0.00 C ATOM 0 H VAL A 967 5.727 -4.579 5.830 1.00 0.00 H new ATOM 0 HA VAL A 967 7.796 -2.995 6.864 1.00 0.00 H new ATOM 0 HB VAL A 967 5.970 -4.946 8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.251 -3.421 10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 967 7.801 -4.126 9.703 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.398 -2.447 9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.455 -3.011 8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.534 -2.032 7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.684 -3.435 6.869 1.00 0.00 H new ATOM 884 N GLN A 968 8.313 -6.230 6.959 1.00 0.00 N ATOM 885 CA GLN A 968 9.364 -7.231 7.117 1.00 0.00 C ATOM 886 C GLN A 968 10.599 -6.819 6.325 1.00 0.00 C ATOM 887 O GLN A 968 11.728 -6.914 6.812 1.00 0.00 O ATOM 888 CB GLN A 968 8.871 -8.605 6.648 1.00 0.00 C ATOM 889 CG GLN A 968 9.933 -9.701 6.669 1.00 0.00 C ATOM 890 CD GLN A 968 10.273 -10.211 8.063 1.00 0.00 C ATOM 891 OE1 GLN A 968 10.641 -11.372 8.232 1.00 0.00 O ATOM 892 NE2 GLN A 968 10.167 -9.360 9.071 1.00 0.00 N ATOM 0 H GLN A 968 7.448 -6.589 6.555 1.00 0.00 H new ATOM 0 HA GLN A 968 9.625 -7.299 8.173 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.037 -8.913 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 968 8.484 -8.511 5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 968 9.588 -10.538 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 968 10.841 -9.321 6.201 1.00 0.00 H new ATOM 0 HE21 GLN A 968 9.859 -8.403 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 968 10.393 -9.661 10.019 1.00 0.00 H new ATOM 901 N GLY A 969 10.371 -6.349 5.106 1.00 0.00 N ATOM 902 CA GLY A 969 11.459 -5.856 4.288 1.00 0.00 C ATOM 903 C GLY A 969 12.026 -4.554 4.820 1.00 0.00 C ATOM 904 O GLY A 969 13.242 -4.380 4.880 1.00 0.00 O ATOM 0 H GLY A 969 9.450 -6.301 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 969 12.249 -6.605 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 969 11.107 -5.708 3.267 1.00 0.00 H new ATOM 908 N VAL A 970 11.138 -3.646 5.218 1.00 0.00 N ATOM 909 CA VAL A 970 11.542 -2.347 5.756 1.00 0.00 C ATOM 910 C VAL A 970 12.437 -2.515 6.980 1.00 0.00 C ATOM 911 O VAL A 970 13.552 -2.002 7.021 1.00 0.00 O ATOM 912 CB VAL A 970 10.326 -1.476 6.149 1.00 0.00 C ATOM 913 CG1 VAL A 970 10.787 -0.120 6.661 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.370 -1.302 4.981 1.00 0.00 C ATOM 0 H VAL A 970 10.128 -3.786 5.178 1.00 0.00 H new ATOM 0 HA VAL A 970 12.092 -1.844 4.960 1.00 0.00 H new ATOM 0 HB VAL A 970 9.791 -1.991 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 970 9.919 0.480 6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.422 -0.258 7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.351 0.391 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.526 -0.685 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.890 -0.818 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 970 9.007 -2.278 4.659 1.00 0.00 H new ATOM 924 N ARG A 971 11.947 -3.249 7.974 1.00 0.00 N ATOM 925 CA ARG A 971 12.688 -3.444 9.215 1.00 0.00 C ATOM 926 C ARG A 971 13.930 -4.291 8.973 1.00 0.00 C ATOM 927 O ARG A 971 14.899 -4.222 9.729 1.00 0.00 O ATOM 928 CB ARG A 971 11.797 -4.084 10.282 1.00 0.00 C ATOM 929 CG ARG A 971 10.575 -3.245 10.627 1.00 0.00 C ATOM 930 CD ARG A 971 9.707 -3.912 11.682 1.00 0.00 C ATOM 931 NE ARG A 971 10.376 -3.995 12.981 1.00 0.00 N ATOM 932 CZ ARG A 971 9.900 -4.683 14.019 1.00 0.00 C ATOM 933 NH1 ARG A 971 8.745 -5.333 13.918 1.00 0.00 N ATOM 934 NH2 ARG A 971 10.573 -4.710 15.165 1.00 0.00 N ATOM 0 H ARG A 971 11.042 -3.718 7.944 1.00 0.00 H new ATOM 0 HA ARG A 971 13.007 -2.467 9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.470 -5.063 9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 971 12.384 -4.247 11.186 1.00 0.00 H new ATOM 0 HG2 ARG A 971 10.896 -2.267 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 971 9.985 -3.076 9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 971 8.777 -3.354 11.790 1.00 0.00 H new ATOM 0 HD3 ARG A 971 9.440 -4.915 11.349 1.00 0.00 H new ATOM 0 HE ARG A 971 11.258 -3.497 13.099 1.00 0.00 H new ATOM 0 HH11 ARG A 971 8.220 -5.307 13.044 1.00 0.00 H new ATOM 0 HH12 ARG A 971 8.384 -5.858 14.714 1.00 0.00 H new ATOM 0 HH21 ARG A 971 11.454 -4.204 15.251 1.00 0.00 H new ATOM 0 HH22 ARG A 971 10.208 -5.237 15.959 1.00 0.00 H new ATOM 948 N GLY A 972 13.899 -5.086 7.911 1.00 0.00 N ATOM 949 CA GLY A 972 15.073 -5.839 7.517 1.00 0.00 C ATOM 950 C GLY A 972 16.145 -4.941 6.934 1.00 0.00 C ATOM 951 O GLY A 972 17.322 -5.065 7.272 1.00 0.00 O ATOM 0 H GLY A 972 13.082 -5.222 7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.473 -6.369 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 972 14.792 -6.594 6.783 1.00 0.00 H new ATOM 955 N SER A 973 15.729 -4.023 6.066 1.00 0.00 N ATOM 956 CA SER A 973 16.640 -3.063 5.458 1.00 0.00 C ATOM 957 C SER A 973 17.191 -2.110 6.517 1.00 0.00 C ATOM 958 O SER A 973 18.344 -1.684 6.445 1.00 0.00 O ATOM 959 CB SER A 973 15.923 -2.281 4.351 1.00 0.00 C ATOM 960 OG SER A 973 16.813 -1.424 3.656 1.00 0.00 O ATOM 0 H SER A 973 14.759 -3.925 5.767 1.00 0.00 H new ATOM 0 HA SER A 973 17.476 -3.605 5.014 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.467 -2.979 3.649 1.00 0.00 H new ATOM 0 HB3 SER A 973 15.115 -1.692 4.786 1.00 0.00 H new ATOM 0 HG SER A 973 16.858 -0.559 4.114 1.00 0.00 H new ATOM 966 N GLN A 974 16.365 -1.777 7.503 1.00 0.00 N ATOM 967 CA GLN A 974 16.807 -0.953 8.620 1.00 0.00 C ATOM 968 C GLN A 974 17.850 -1.699 9.443 1.00 0.00 C ATOM 969 O GLN A 974 18.828 -1.112 9.906 1.00 0.00 O ATOM 970 CB GLN A 974 15.627 -0.557 9.508 1.00 0.00 C ATOM 971 CG GLN A 974 14.614 0.336 8.814 1.00 0.00 C ATOM 972 CD GLN A 974 13.433 0.676 9.698 1.00 0.00 C ATOM 973 OE1 GLN A 974 13.446 1.674 10.419 1.00 0.00 O ATOM 974 NE2 GLN A 974 12.403 -0.149 9.647 1.00 0.00 N ATOM 0 H GLN A 974 15.388 -2.065 7.551 1.00 0.00 H new ATOM 0 HA GLN A 974 17.253 -0.044 8.216 1.00 0.00 H new ATOM 0 HB2 GLN A 974 15.125 -1.460 9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 974 16.005 -0.044 10.392 1.00 0.00 H new ATOM 0 HG2 GLN A 974 15.104 1.257 8.499 1.00 0.00 H new ATOM 0 HG3 GLN A 974 14.256 -0.160 7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 974 12.433 -0.965 9.036 1.00 0.00 H new ATOM 0 HE22 GLN A 974 11.578 0.030 10.219 1.00 0.00 H new ATOM 983 N ALA A 975 17.641 -2.999 9.609 1.00 0.00 N ATOM 984 CA ALA A 975 18.580 -3.835 10.341 1.00 0.00 C ATOM 985 C ALA A 975 19.907 -3.940 9.596 1.00 0.00 C ATOM 986 O ALA A 975 20.972 -3.733 10.177 1.00 0.00 O ATOM 987 CB ALA A 975 17.990 -5.218 10.576 1.00 0.00 C ATOM 0 H ALA A 975 16.828 -3.496 9.246 1.00 0.00 H new ATOM 0 HA ALA A 975 18.769 -3.369 11.308 1.00 0.00 H new ATOM 0 HB1 ALA A 975 18.706 -5.830 11.125 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.071 -5.128 11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 975 17.771 -5.688 9.617 1.00 0.00 H new ATOM 993 N GLN A 976 19.839 -4.256 8.307 1.00 0.00 N ATOM 994 CA GLN A 976 21.042 -4.380 7.495 1.00 0.00 C ATOM 995 C GLN A 976 20.918 -3.568 6.206 1.00 0.00 C ATOM 996 O GLN A 976 20.442 -4.073 5.187 1.00 0.00 O ATOM 997 CB GLN A 976 21.330 -5.848 7.164 1.00 0.00 C ATOM 998 CG GLN A 976 21.443 -6.740 8.390 1.00 0.00 C ATOM 999 CD GLN A 976 21.922 -8.138 8.056 1.00 0.00 C ATOM 1000 OE1 GLN A 976 23.121 -8.419 8.081 1.00 0.00 O ATOM 1001 NE2 GLN A 976 20.991 -9.026 7.745 1.00 0.00 N ATOM 0 H GLN A 976 18.968 -4.430 7.805 1.00 0.00 H new ATOM 0 HA GLN A 976 21.875 -3.984 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 976 20.537 -6.229 6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 976 22.258 -5.908 6.595 1.00 0.00 H new ATOM 0 HG2 GLN A 976 22.131 -6.285 9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 976 20.471 -6.801 8.880 1.00 0.00 H new ATOM 0 HE21 GLN A 976 20.008 -8.753 7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 976 21.256 -9.984 7.515 1.00 0.00 H new ATOM 1010 N PRO A 977 21.329 -2.290 6.243 1.00 0.00 N ATOM 1011 CA PRO A 977 21.301 -1.415 5.068 1.00 0.00 C ATOM 1012 C PRO A 977 22.435 -1.714 4.092 1.00 0.00 C ATOM 1013 O PRO A 977 22.516 -1.120 3.016 1.00 0.00 O ATOM 1014 CB PRO A 977 21.466 -0.019 5.666 1.00 0.00 C ATOM 1015 CG PRO A 977 22.234 -0.236 6.923 1.00 0.00 C ATOM 1016 CD PRO A 977 21.824 -1.588 7.443 1.00 0.00 C ATOM 0 HA PRO A 977 20.388 -1.542 4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 977 22.000 0.643 4.985 1.00 0.00 H new ATOM 0 HB3 PRO A 977 20.499 0.443 5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 977 23.307 -0.202 6.734 1.00 0.00 H new ATOM 0 HG3 PRO A 977 22.014 0.544 7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 977 22.664 -2.114 7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 977 21.050 -1.506 8.206 1.00 0.00 H new ATOM 1024 N ASP A 978 23.316 -2.627 4.479 1.00 0.00 N ATOM 1025 CA ASP A 978 24.436 -3.020 3.629 1.00 0.00 C ATOM 1026 C ASP A 978 24.124 -4.315 2.897 1.00 0.00 C ATOM 1027 O ASP A 978 24.629 -4.555 1.799 1.00 0.00 O ATOM 1028 CB ASP A 978 25.715 -3.211 4.452 1.00 0.00 C ATOM 1029 CG ASP A 978 26.138 -1.960 5.190 1.00 0.00 C ATOM 1030 OD1 ASP A 978 26.700 -1.051 4.545 1.00 0.00 O ATOM 1031 OD2 ASP A 978 25.908 -1.872 6.414 1.00 0.00 O ATOM 0 H ASP A 978 23.278 -3.111 5.376 1.00 0.00 H new ATOM 0 HA ASP A 978 24.592 -2.219 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 978 25.560 -4.015 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 978 26.522 -3.526 3.790 1.00 0.00 H new ATOM 1036 N SER A 979 23.279 -5.137 3.506 1.00 0.00 N ATOM 1037 CA SER A 979 22.989 -6.463 2.989 1.00 0.00 C ATOM 1038 C SER A 979 21.868 -6.431 1.957 1.00 0.00 C ATOM 1039 O SER A 979 20.708 -6.189 2.291 1.00 0.00 O ATOM 1040 CB SER A 979 22.627 -7.394 4.145 1.00 0.00 C ATOM 1041 OG SER A 979 23.736 -7.559 5.010 1.00 0.00 O ATOM 0 H SER A 979 22.780 -4.904 4.365 1.00 0.00 H new ATOM 0 HA SER A 979 23.881 -6.838 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 979 21.783 -6.985 4.700 1.00 0.00 H new ATOM 0 HB3 SER A 979 22.313 -8.363 3.756 1.00 0.00 H new ATOM 0 HG SER A 979 23.433 -7.937 5.862 1.00 0.00 H new ATOM 1047 N PRO A 980 22.209 -6.709 0.686 1.00 0.00 N ATOM 1048 CA PRO A 980 21.267 -6.620 -0.437 1.00 0.00 C ATOM 1049 C PRO A 980 20.092 -7.577 -0.287 1.00 0.00 C ATOM 1050 O PRO A 980 19.025 -7.357 -0.855 1.00 0.00 O ATOM 1051 CB PRO A 980 22.108 -7.005 -1.659 1.00 0.00 C ATOM 1052 CG PRO A 980 23.525 -6.848 -1.225 1.00 0.00 C ATOM 1053 CD PRO A 980 23.543 -7.147 0.244 1.00 0.00 C ATOM 0 HA PRO A 980 20.825 -5.626 -0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 980 21.903 -8.029 -1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 980 21.883 -6.362 -2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 980 24.178 -7.530 -1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 980 23.884 -5.838 -1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 980 23.705 -8.207 0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.337 -6.604 0.757 1.00 0.00 H new ATOM 1061 N SER A 981 20.297 -8.635 0.487 1.00 0.00 N ATOM 1062 CA SER A 981 19.253 -9.613 0.743 1.00 0.00 C ATOM 1063 C SER A 981 18.048 -8.940 1.401 1.00 0.00 C ATOM 1064 O SER A 981 16.898 -9.213 1.051 1.00 0.00 O ATOM 1065 CB SER A 981 19.802 -10.716 1.643 1.00 0.00 C ATOM 1066 OG SER A 981 21.119 -11.075 1.252 1.00 0.00 O ATOM 0 H SER A 981 21.183 -8.836 0.950 1.00 0.00 H new ATOM 0 HA SER A 981 18.928 -10.050 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 981 19.804 -10.379 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 981 19.152 -11.590 1.594 1.00 0.00 H new ATOM 0 HG SER A 981 21.454 -11.782 1.842 1.00 0.00 H new ATOM 1072 N ALA A 982 18.331 -8.046 2.344 1.00 0.00 N ATOM 1073 CA ALA A 982 17.297 -7.283 3.023 1.00 0.00 C ATOM 1074 C ALA A 982 16.627 -6.315 2.058 1.00 0.00 C ATOM 1075 O ALA A 982 15.406 -6.163 2.057 1.00 0.00 O ATOM 1076 CB ALA A 982 17.896 -6.528 4.202 1.00 0.00 C ATOM 0 H ALA A 982 19.279 -7.833 2.655 1.00 0.00 H new ATOM 0 HA ALA A 982 16.540 -7.974 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 982 17.114 -5.959 4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 982 18.336 -7.238 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 982 18.667 -5.846 3.844 1.00 0.00 H new ATOM 1082 N GLN A 983 17.441 -5.676 1.227 1.00 0.00 N ATOM 1083 CA GLN A 983 16.945 -4.728 0.239 1.00 0.00 C ATOM 1084 C GLN A 983 15.980 -5.396 -0.735 1.00 0.00 C ATOM 1085 O GLN A 983 14.864 -4.923 -0.929 1.00 0.00 O ATOM 1086 CB GLN A 983 18.096 -4.097 -0.542 1.00 0.00 C ATOM 1087 CG GLN A 983 18.767 -2.929 0.161 1.00 0.00 C ATOM 1088 CD GLN A 983 19.579 -3.327 1.374 1.00 0.00 C ATOM 1089 OE1 GLN A 983 20.757 -3.651 1.255 1.00 0.00 O ATOM 1090 NE2 GLN A 983 18.975 -3.261 2.548 1.00 0.00 N ATOM 0 H GLN A 983 18.454 -5.799 1.219 1.00 0.00 H new ATOM 0 HA GLN A 983 16.412 -3.948 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 983 18.845 -4.863 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 983 17.721 -3.757 -1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 983 19.418 -2.417 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 983 18.003 -2.214 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 983 17.994 -2.987 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 983 19.490 -3.484 3.400 1.00 0.00 H new ATOM 1099 N LEU A 984 16.412 -6.501 -1.333 1.00 0.00 N ATOM 1100 CA LEU A 984 15.601 -7.206 -2.323 1.00 0.00 C ATOM 1101 C LEU A 984 14.299 -7.711 -1.717 1.00 0.00 C ATOM 1102 O LEU A 984 13.271 -7.750 -2.390 1.00 0.00 O ATOM 1103 CB LEU A 984 16.385 -8.365 -2.947 1.00 0.00 C ATOM 1104 CG LEU A 984 17.204 -8.013 -4.196 1.00 0.00 C ATOM 1105 CD1 LEU A 984 16.288 -7.540 -5.315 1.00 0.00 C ATOM 1106 CD2 LEU A 984 18.251 -6.953 -3.885 1.00 0.00 C ATOM 0 H LEU A 984 17.320 -6.929 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 984 15.352 -6.493 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 984 17.060 -8.771 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 984 15.683 -9.158 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 984 17.723 -8.914 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 984 16.884 -7.294 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 984 15.581 -8.331 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 984 15.741 -6.655 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 984 18.816 -6.724 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 984 17.758 -6.049 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 984 18.929 -7.326 -3.118 1.00 0.00 H new ATOM 1118 N ALA A 985 14.343 -8.080 -0.440 1.00 0.00 N ATOM 1119 CA ALA A 985 13.144 -8.512 0.268 1.00 0.00 C ATOM 1120 C ALA A 985 12.131 -7.375 0.349 1.00 0.00 C ATOM 1121 O ALA A 985 10.921 -7.602 0.333 1.00 0.00 O ATOM 1122 CB ALA A 985 13.499 -9.010 1.661 1.00 0.00 C ATOM 0 H ALA A 985 15.193 -8.088 0.123 1.00 0.00 H new ATOM 0 HA ALA A 985 12.694 -9.334 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 985 12.592 -9.328 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.186 -9.852 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 985 13.973 -8.207 2.225 1.00 0.00 H new ATOM 1128 N LEU A 986 12.638 -6.151 0.427 1.00 0.00 N ATOM 1129 CA LEU A 986 11.795 -4.965 0.462 1.00 0.00 C ATOM 1130 C LEU A 986 11.322 -4.631 -0.956 1.00 0.00 C ATOM 1131 O LEU A 986 10.135 -4.404 -1.192 1.00 0.00 O ATOM 1132 CB LEU A 986 12.584 -3.786 1.057 1.00 0.00 C ATOM 1133 CG LEU A 986 11.763 -2.701 1.773 1.00 0.00 C ATOM 1134 CD1 LEU A 986 12.691 -1.668 2.392 1.00 0.00 C ATOM 1135 CD2 LEU A 986 10.788 -2.022 0.827 1.00 0.00 C ATOM 0 H LEU A 986 13.638 -5.954 0.467 1.00 0.00 H new ATOM 0 HA LEU A 986 10.923 -5.154 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 986 13.312 -4.185 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 986 13.147 -3.312 0.253 1.00 0.00 H new ATOM 0 HG LEU A 986 11.184 -3.186 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 986 12.100 -0.904 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 986 13.347 -2.154 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.292 -1.204 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 986 10.226 -1.261 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.339 -1.554 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.099 -2.763 0.421 1.00 0.00 H new ATOM 1147 N ILE A 987 12.267 -4.627 -1.894 1.00 0.00 N ATOM 1148 CA ILE A 987 11.989 -4.283 -3.288 1.00 0.00 C ATOM 1149 C ILE A 987 10.914 -5.195 -3.881 1.00 0.00 C ATOM 1150 O ILE A 987 9.929 -4.720 -4.450 1.00 0.00 O ATOM 1151 CB ILE A 987 13.269 -4.370 -4.151 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.360 -3.460 -3.573 1.00 0.00 C ATOM 1153 CG2 ILE A 987 12.968 -3.990 -5.596 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.710 -3.609 -4.245 1.00 0.00 C ATOM 0 H ILE A 987 13.243 -4.861 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 987 11.625 -3.256 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 987 13.628 -5.399 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 987 14.036 -2.423 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.470 -3.673 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 987 13.881 -4.057 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.221 -4.671 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.587 -2.969 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.425 -2.932 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.059 -4.636 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.618 -3.367 -5.304 1.00 0.00 H new ATOM 1166 N ALA A 988 11.099 -6.502 -3.725 1.00 0.00 N ATOM 1167 CA ALA A 988 10.159 -7.479 -4.262 1.00 0.00 C ATOM 1168 C ALA A 988 8.793 -7.347 -3.597 1.00 0.00 C ATOM 1169 O ALA A 988 7.757 -7.466 -4.256 1.00 0.00 O ATOM 1170 CB ALA A 988 10.704 -8.888 -4.089 1.00 0.00 C ATOM 0 H ALA A 988 11.893 -6.909 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 988 10.035 -7.282 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 988 9.991 -9.606 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 988 11.652 -8.979 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 988 10.860 -9.090 -3.029 1.00 0.00 H new ATOM 1176 N ALA A 989 8.798 -7.086 -2.293 1.00 0.00 N ATOM 1177 CA ALA A 989 7.563 -6.916 -1.542 1.00 0.00 C ATOM 1178 C ALA A 989 6.806 -5.683 -2.015 1.00 0.00 C ATOM 1179 O ALA A 989 5.584 -5.708 -2.138 1.00 0.00 O ATOM 1180 CB ALA A 989 7.852 -6.816 -0.052 1.00 0.00 C ATOM 0 H ALA A 989 9.647 -6.988 -1.736 1.00 0.00 H new ATOM 0 HA ALA A 989 6.938 -7.792 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 989 6.916 -6.689 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.347 -7.727 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.500 -5.960 0.136 1.00 0.00 H new ATOM 1186 N SER A 990 7.543 -4.612 -2.294 1.00 0.00 N ATOM 1187 CA SER A 990 6.951 -3.370 -2.769 1.00 0.00 C ATOM 1188 C SER A 990 6.246 -3.585 -4.105 1.00 0.00 C ATOM 1189 O SER A 990 5.107 -3.157 -4.295 1.00 0.00 O ATOM 1190 CB SER A 990 8.030 -2.296 -2.908 1.00 0.00 C ATOM 1191 OG SER A 990 8.711 -2.103 -1.681 1.00 0.00 O ATOM 0 H SER A 990 8.558 -4.582 -2.198 1.00 0.00 H new ATOM 0 HA SER A 990 6.211 -3.038 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.741 -2.587 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.576 -1.358 -3.228 1.00 0.00 H new ATOM 0 HG SER A 990 9.282 -2.878 -1.498 1.00 0.00 H new ATOM 1197 N GLN A 991 6.924 -4.268 -5.021 1.00 0.00 N ATOM 1198 CA GLN A 991 6.352 -4.592 -6.325 1.00 0.00 C ATOM 1199 C GLN A 991 5.079 -5.416 -6.161 1.00 0.00 C ATOM 1200 O GLN A 991 4.061 -5.157 -6.809 1.00 0.00 O ATOM 1201 CB GLN A 991 7.365 -5.373 -7.163 1.00 0.00 C ATOM 1202 CG GLN A 991 8.620 -4.588 -7.504 1.00 0.00 C ATOM 1203 CD GLN A 991 9.690 -5.461 -8.128 1.00 0.00 C ATOM 1204 OE1 GLN A 991 9.798 -6.645 -7.818 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.480 -4.888 -9.019 1.00 0.00 N ATOM 0 H GLN A 991 7.875 -4.610 -4.884 1.00 0.00 H new ATOM 0 HA GLN A 991 6.105 -3.660 -6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.649 -6.276 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.886 -5.693 -8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 991 8.366 -3.781 -8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 991 9.014 -4.125 -6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 991 10.358 -3.902 -9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 991 11.212 -5.432 -9.477 1.00 0.00 H new ATOM 1214 N SER A 992 5.138 -6.387 -5.261 1.00 0.00 N ATOM 1215 CA SER A 992 4.022 -7.288 -5.022 1.00 0.00 C ATOM 1216 C SER A 992 2.976 -6.633 -4.119 1.00 0.00 C ATOM 1217 O SER A 992 1.974 -7.249 -3.770 1.00 0.00 O ATOM 1218 CB SER A 992 4.529 -8.592 -4.398 1.00 0.00 C ATOM 1219 OG SER A 992 3.511 -9.581 -4.349 1.00 0.00 O ATOM 0 H SER A 992 5.956 -6.571 -4.680 1.00 0.00 H new ATOM 0 HA SER A 992 3.547 -7.513 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 992 5.374 -8.967 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 992 4.894 -8.395 -3.390 1.00 0.00 H new ATOM 0 HG SER A 992 2.659 -9.161 -4.109 1.00 0.00 H new ATOM 1225 N PHE A 993 3.220 -5.389 -3.734 1.00 0.00 N ATOM 1226 CA PHE A 993 2.251 -4.631 -2.959 1.00 0.00 C ATOM 1227 C PHE A 993 1.536 -3.635 -3.860 1.00 0.00 C ATOM 1228 O PHE A 993 0.368 -3.313 -3.650 1.00 0.00 O ATOM 1229 CB PHE A 993 2.932 -3.900 -1.801 1.00 0.00 C ATOM 1230 CG PHE A 993 1.969 -3.174 -0.908 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.207 -3.870 0.013 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.826 -1.800 -0.988 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.319 -3.211 0.839 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.939 -1.134 -0.165 1.00 0.00 C ATOM 1235 CZ PHE A 993 0.185 -1.842 0.749 1.00 0.00 C ATOM 0 H PHE A 993 4.080 -4.884 -3.946 1.00 0.00 H new ATOM 0 HA PHE A 993 1.522 -5.325 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.495 -4.620 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.651 -3.187 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.308 -4.943 0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.414 -1.242 -1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.269 -3.767 1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.836 -0.061 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.510 -1.324 1.393 1.00 0.00 H new ATOM 1245 N LEU A 994 2.254 -3.158 -4.870 1.00 0.00 N ATOM 1246 CA LEU A 994 1.693 -2.242 -5.855 1.00 0.00 C ATOM 1247 C LEU A 994 0.493 -2.872 -6.547 1.00 0.00 C ATOM 1248 O LEU A 994 -0.528 -2.216 -6.754 1.00 0.00 O ATOM 1249 CB LEU A 994 2.750 -1.878 -6.898 1.00 0.00 C ATOM 1250 CG LEU A 994 3.988 -1.163 -6.358 1.00 0.00 C ATOM 1251 CD1 LEU A 994 5.064 -1.096 -7.426 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.630 0.235 -5.872 1.00 0.00 C ATOM 0 H LEU A 994 3.234 -3.393 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 994 1.370 -1.339 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.069 -2.791 -7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.286 -1.244 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 994 4.374 -1.730 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 994 5.940 -0.584 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.340 -2.106 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.686 -0.549 -8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.524 0.728 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 994 3.221 0.814 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.888 0.165 -5.077 1.00 0.00 H new ATOM 1264 N GLN A 995 0.626 -4.152 -6.886 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.431 -4.879 -7.585 1.00 0.00 C ATOM 1266 C GLN A 995 -1.754 -4.874 -6.793 1.00 0.00 C ATOM 1267 O GLN A 995 -2.739 -4.299 -7.257 1.00 0.00 O ATOM 1268 CB GLN A 995 0.016 -6.314 -7.896 1.00 0.00 C ATOM 1269 CG GLN A 995 -1.002 -7.110 -8.695 1.00 0.00 C ATOM 1270 CD GLN A 995 -0.644 -8.578 -8.804 1.00 0.00 C ATOM 1271 OE1 GLN A 995 -1.525 -9.433 -8.901 1.00 0.00 O ATOM 1272 NE2 GLN A 995 0.645 -8.885 -8.792 1.00 0.00 N ATOM 0 H GLN A 995 1.457 -4.708 -6.687 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.618 -4.362 -8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 995 0.954 -6.281 -8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.217 -6.834 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -1.981 -7.013 -8.226 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -1.084 -6.685 -9.696 1.00 0.00 H new ATOM 0 HE21 GLN A 995 1.344 -8.147 -8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 995 0.938 -9.859 -8.865 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.816 -5.496 -5.588 1.00 0.00 N ATOM 1282 CA PRO A 996 -3.055 -5.536 -4.805 1.00 0.00 C ATOM 1283 C PRO A 996 -3.425 -4.166 -4.241 1.00 0.00 C ATOM 1284 O PRO A 996 -4.602 -3.847 -4.076 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.741 -6.519 -3.675 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.262 -6.461 -3.522 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.712 -6.196 -4.896 1.00 0.00 C ATOM 0 HA PRO A 996 -3.910 -5.834 -5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -3.246 -6.235 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -3.074 -7.527 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -0.972 -5.673 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -0.874 -7.397 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 996 0.188 -5.582 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 996 -0.444 -7.122 -5.405 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.409 -3.357 -3.957 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.635 -2.031 -3.425 1.00 0.00 C ATOM 1297 C GLY A 997 -3.345 -1.135 -4.414 1.00 0.00 C ATOM 1298 O GLY A 997 -4.384 -0.554 -4.097 1.00 0.00 O ATOM 0 H GLY A 997 -1.427 -3.601 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.226 -2.103 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.680 -1.583 -3.151 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.798 -1.039 -5.623 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.400 -0.215 -6.654 1.00 0.00 C ATOM 1304 C GLY A 998 -4.783 -0.698 -7.022 1.00 0.00 C ATOM 1305 O GLY A 998 -5.676 0.100 -7.320 1.00 0.00 O ATOM 0 H GLY A 998 -1.945 -1.520 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.456 0.817 -6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -2.765 -0.220 -7.540 1.00 0.00 H new ATOM 1309 N LYS A 999 -4.961 -2.011 -6.990 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.257 -2.614 -7.246 1.00 0.00 C ATOM 1311 C LYS A 999 -7.256 -2.246 -6.159 1.00 0.00 C ATOM 1312 O LYS A 999 -8.421 -1.988 -6.449 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.124 -4.132 -7.358 1.00 0.00 C ATOM 1314 CG LYS A 999 -5.620 -4.590 -8.717 1.00 0.00 C ATOM 1315 CD LYS A 999 -5.247 -6.062 -8.709 1.00 0.00 C ATOM 1316 CE LYS A 999 -5.038 -6.589 -10.120 1.00 0.00 C ATOM 1317 NZ LYS A 999 -4.160 -5.706 -10.932 1.00 0.00 N ATOM 0 H LYS A 999 -4.218 -2.680 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.631 -2.224 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -5.442 -4.489 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.094 -4.591 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -6.389 -4.413 -9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.752 -3.996 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -4.337 -6.205 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -6.033 -6.635 -8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -4.600 -7.586 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -6.004 -6.689 -10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -3.842 -6.217 -11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -4.689 -4.858 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -3.333 -5.424 -10.367 1.00 0.00 H new ATOM 1331 N MET A1000 -6.801 -2.192 -4.911 1.00 0.00 N ATOM 1332 CA MET A1000 -7.692 -1.852 -3.813 1.00 0.00 C ATOM 1333 C MET A1000 -8.039 -0.370 -3.852 1.00 0.00 C ATOM 1334 O MET A1000 -9.133 0.024 -3.462 1.00 0.00 O ATOM 1335 CB MET A1000 -7.085 -2.221 -2.458 1.00 0.00 C ATOM 1336 CG MET A1000 -8.097 -2.166 -1.321 1.00 0.00 C ATOM 1337 SD MET A1000 -7.438 -2.757 0.250 1.00 0.00 S ATOM 1338 CE MET A1000 -6.270 -1.460 0.640 1.00 0.00 C ATOM 0 H MET A1000 -5.835 -2.377 -4.640 1.00 0.00 H new ATOM 0 HA MET A1000 -8.605 -2.434 -3.936 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.664 -3.225 -2.515 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.261 -1.542 -2.238 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.441 -1.139 -1.199 1.00 0.00 H new ATOM 0 HG3 MET A1000 -8.968 -2.764 -1.590 1.00 0.00 H new ATOM 0 HE1 MET A1000 -6.142 -1.398 1.721 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.310 -1.682 0.173 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.645 -0.508 0.264 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.107 0.451 -4.334 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.382 1.869 -4.541 1.00 0.00 C ATOM 1350 C VAL A1001 -8.512 2.034 -5.549 1.00 0.00 C ATOM 1351 O VAL A1001 -9.475 2.764 -5.309 1.00 0.00 O ATOM 1352 CB VAL A1001 -6.138 2.639 -5.047 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.471 4.103 -5.297 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -4.989 2.520 -4.062 1.00 0.00 C ATOM 0 H VAL A1001 -6.162 0.160 -4.586 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.667 2.286 -3.575 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.829 2.190 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.581 4.623 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -7.257 4.174 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.814 4.562 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -4.127 3.069 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.290 2.935 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.724 1.470 -3.937 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.395 1.330 -6.669 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.412 1.363 -7.709 1.00 0.00 C ATOM 1366 C ALA A1002 -10.728 0.792 -7.194 1.00 0.00 C ATOM 1367 O ALA A1002 -11.794 1.367 -7.415 1.00 0.00 O ATOM 1368 CB ALA A1002 -8.937 0.597 -8.935 1.00 0.00 C ATOM 0 H ALA A1002 -7.600 0.726 -6.879 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.582 2.401 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -9.707 0.630 -9.705 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -8.023 1.052 -9.317 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -8.740 -0.440 -8.662 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.643 -0.336 -6.495 1.00 0.00 N ATOM 1375 CA ALA A1003 -11.816 -0.970 -5.908 1.00 0.00 C ATOM 1376 C ALA A1003 -12.494 -0.041 -4.905 1.00 0.00 C ATOM 1377 O ALA A1003 -13.720 0.054 -4.874 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.433 -2.283 -5.240 1.00 0.00 C ATOM 0 H ALA A1003 -9.768 -0.831 -6.321 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.524 -1.180 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.321 -2.743 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -11.000 -2.955 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -10.703 -2.092 -4.453 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.693 0.640 -4.093 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.215 1.593 -3.120 1.00 0.00 C ATOM 1386 C ALA A1004 -12.980 2.707 -3.821 1.00 0.00 C ATOM 1387 O ALA A1004 -14.105 3.030 -3.445 1.00 0.00 O ATOM 1388 CB ALA A1004 -11.086 2.171 -2.278 1.00 0.00 C ATOM 0 H ALA A1004 -10.677 0.549 -4.089 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.902 1.066 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.495 2.880 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.579 1.365 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.374 2.682 -2.926 1.00 0.00 H new ATOM 1394 N LYS A1005 -12.367 3.267 -4.858 1.00 0.00 N ATOM 1395 CA LYS A1005 -12.983 4.334 -5.638 1.00 0.00 C ATOM 1396 C LYS A1005 -14.289 3.873 -6.267 1.00 0.00 C ATOM 1397 O LYS A1005 -15.267 4.615 -6.296 1.00 0.00 O ATOM 1398 CB LYS A1005 -12.031 4.802 -6.733 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.804 5.518 -6.203 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.845 5.872 -7.325 1.00 0.00 C ATOM 1401 CE LYS A1005 -8.731 6.784 -6.843 1.00 0.00 C ATOM 1402 NZ LYS A1005 -9.261 8.066 -6.312 1.00 0.00 N ATOM 0 H LYS A1005 -11.437 2.997 -5.180 1.00 0.00 H new ATOM 0 HA LYS A1005 -13.197 5.160 -4.960 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.714 3.940 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -12.567 5.468 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -11.107 6.425 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -10.297 4.885 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -9.415 4.959 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -10.392 6.360 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -8.157 6.278 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -8.045 6.987 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -8.505 8.780 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -10.045 8.393 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -9.605 7.924 -5.341 1.00 0.00 H new ATOM 1416 N ALA A1006 -14.293 2.643 -6.762 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.468 2.082 -7.413 1.00 0.00 C ATOM 1418 C ALA A1006 -16.562 1.748 -6.403 1.00 0.00 C ATOM 1419 O ALA A1006 -17.728 1.580 -6.763 1.00 0.00 O ATOM 1420 CB ALA A1006 -15.079 0.845 -8.203 1.00 0.00 C ATOM 0 H ALA A1006 -13.492 2.013 -6.725 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.869 2.832 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -15.963 0.430 -8.688 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.342 1.114 -8.960 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.652 0.102 -7.529 1.00 0.00 H new ATOM 1426 N SER A1007 -16.186 1.654 -5.137 1.00 0.00 N ATOM 1427 CA SER A1007 -17.139 1.330 -4.087 1.00 0.00 C ATOM 1428 C SER A1007 -17.813 2.589 -3.554 1.00 0.00 C ATOM 1429 O SER A1007 -18.956 2.539 -3.108 1.00 0.00 O ATOM 1430 CB SER A1007 -16.442 0.580 -2.952 1.00 0.00 C ATOM 1431 OG SER A1007 -15.824 -0.603 -3.434 1.00 0.00 O ATOM 0 H SER A1007 -15.230 1.797 -4.812 1.00 0.00 H new ATOM 0 HA SER A1007 -17.909 0.687 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A1007 -15.694 1.224 -2.490 1.00 0.00 H new ATOM 0 HB3 SER A1007 -17.167 0.328 -2.178 1.00 0.00 H new ATOM 0 HG SER A1007 -14.893 -0.412 -3.673 1.00 0.00 H new ATOM 1437 N VAL A1008 -17.110 3.715 -3.631 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.615 4.989 -3.113 1.00 0.00 C ATOM 1439 C VAL A1008 -19.028 5.323 -3.635 1.00 0.00 C ATOM 1440 O VAL A1008 -19.929 5.580 -2.837 1.00 0.00 O ATOM 1441 CB VAL A1008 -16.643 6.153 -3.433 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -17.189 7.482 -2.927 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -15.271 5.882 -2.830 1.00 0.00 C ATOM 0 H VAL A1008 -16.182 3.774 -4.050 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.682 4.871 -2.031 1.00 0.00 H new ATOM 0 HB VAL A1008 -16.545 6.219 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -16.485 8.279 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -18.147 7.688 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -17.326 7.431 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -14.601 6.709 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -15.362 5.784 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.867 4.959 -3.245 1.00 0.00 H new ATOM 1453 N PRO A1009 -19.265 5.312 -4.969 1.00 0.00 N ATOM 1454 CA PRO A1009 -20.585 5.637 -5.523 1.00 0.00 C ATOM 1455 C PRO A1009 -21.645 4.584 -5.190 1.00 0.00 C ATOM 1456 O PRO A1009 -22.839 4.884 -5.145 1.00 0.00 O ATOM 1457 CB PRO A1009 -20.340 5.697 -7.033 1.00 0.00 C ATOM 1458 CG PRO A1009 -19.136 4.855 -7.261 1.00 0.00 C ATOM 1459 CD PRO A1009 -18.288 5.004 -6.031 1.00 0.00 C ATOM 0 HA PRO A1009 -20.976 6.565 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -21.198 5.317 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -20.174 6.722 -7.366 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.413 3.813 -7.420 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -18.595 5.180 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.734 4.091 -5.813 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -17.555 5.802 -6.144 1.00 0.00 H new ATOM 1467 N THR A1010 -21.208 3.356 -4.931 1.00 0.00 N ATOM 1468 CA THR A1010 -22.132 2.268 -4.634 1.00 0.00 C ATOM 1469 C THR A1010 -22.468 2.219 -3.143 1.00 0.00 C ATOM 1470 O THR A1010 -23.121 1.289 -2.667 1.00 0.00 O ATOM 1471 CB THR A1010 -21.564 0.906 -5.087 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.291 0.660 -4.474 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.411 0.862 -6.600 1.00 0.00 C ATOM 0 H THR A1010 -20.223 3.090 -4.921 1.00 0.00 H new ATOM 0 HA THR A1010 -23.047 2.465 -5.193 1.00 0.00 H new ATOM 0 HB THR A1010 -22.267 0.133 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A1010 -20.097 1.370 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.009 -0.107 -6.897 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.384 1.010 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A1010 -20.730 1.651 -6.920 1.00 0.00 H new ATOM 1481 N ILE A1011 -22.013 3.227 -2.413 1.00 0.00 N ATOM 1482 CA ILE A1011 -22.290 3.332 -0.991 1.00 0.00 C ATOM 1483 C ILE A1011 -23.060 4.615 -0.707 1.00 0.00 C ATOM 1484 O ILE A1011 -22.664 5.694 -1.149 1.00 0.00 O ATOM 1485 CB ILE A1011 -20.983 3.311 -0.165 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -20.237 1.998 -0.401 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -21.273 3.497 1.319 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -18.877 1.949 0.252 1.00 0.00 C ATOM 0 H ILE A1011 -21.446 3.988 -2.787 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.893 2.472 -0.697 1.00 0.00 H new ATOM 0 HB ILE A1011 -20.355 4.140 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -20.842 1.173 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -20.121 1.843 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -20.337 3.478 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -21.770 4.454 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -21.920 2.691 1.667 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -18.407 0.988 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -18.255 2.752 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -18.986 2.071 1.330 1.00 0.00 H new ATOM 1500 N GLN A1012 -24.164 4.494 0.012 1.00 0.00 N ATOM 1501 CA GLN A1012 -25.000 5.649 0.319 1.00 0.00 C ATOM 1502 C GLN A1012 -24.518 6.341 1.587 1.00 0.00 C ATOM 1503 O GLN A1012 -24.888 7.482 1.868 1.00 0.00 O ATOM 1504 CB GLN A1012 -26.471 5.242 0.459 1.00 0.00 C ATOM 1505 CG GLN A1012 -27.137 4.877 -0.862 1.00 0.00 C ATOM 1506 CD GLN A1012 -26.699 3.531 -1.409 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -26.624 3.341 -2.623 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -26.440 2.580 -0.525 1.00 0.00 N ATOM 0 H GLN A1012 -24.504 3.611 0.394 1.00 0.00 H new ATOM 0 HA GLN A1012 -24.919 6.351 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -26.540 4.391 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -27.023 6.062 0.919 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -28.218 4.870 -0.725 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -26.914 5.649 -1.598 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -26.514 2.778 0.473 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -26.167 1.650 -0.842 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.696 5.642 2.352 1.00 0.00 N ATOM 1518 CA ASP A1013 -23.092 6.214 3.546 1.00 0.00 C ATOM 1519 C ASP A1013 -21.892 7.062 3.147 1.00 0.00 C ATOM 1520 O ASP A1013 -20.902 6.543 2.631 1.00 0.00 O ATOM 1521 CB ASP A1013 -22.660 5.108 4.510 1.00 0.00 C ATOM 1522 CG ASP A1013 -22.132 5.659 5.818 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -20.973 6.113 5.854 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -22.881 5.650 6.817 1.00 0.00 O ATOM 0 H ASP A1013 -23.430 4.675 2.167 1.00 0.00 H new ATOM 0 HA ASP A1013 -23.826 6.840 4.053 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -23.507 4.452 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -21.890 4.498 4.038 1.00 0.00 H new ATOM 1529 N GLN A1014 -21.981 8.366 3.374 1.00 0.00 N ATOM 1530 CA GLN A1014 -20.948 9.277 2.905 1.00 0.00 C ATOM 1531 C GLN A1014 -19.745 9.296 3.839 1.00 0.00 C ATOM 1532 O GLN A1014 -18.674 9.772 3.466 1.00 0.00 O ATOM 1533 CB GLN A1014 -21.511 10.694 2.687 1.00 0.00 C ATOM 1534 CG GLN A1014 -22.218 11.330 3.883 1.00 0.00 C ATOM 1535 CD GLN A1014 -21.266 11.863 4.942 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -20.976 11.193 5.929 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -20.754 13.064 4.724 1.00 0.00 N ATOM 0 H GLN A1014 -22.750 8.812 3.875 1.00 0.00 H new ATOM 0 HA GLN A1014 -20.601 8.905 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -20.691 11.346 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -22.212 10.660 1.853 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -22.848 12.146 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -22.878 10.592 4.339 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -21.021 13.589 3.891 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -20.092 13.465 5.389 1.00 0.00 H new ATOM 1546 N ALA A1015 -19.910 8.750 5.034 1.00 0.00 N ATOM 1547 CA ALA A1015 -18.825 8.708 5.998 1.00 0.00 C ATOM 1548 C ALA A1015 -17.796 7.677 5.569 1.00 0.00 C ATOM 1549 O ALA A1015 -16.599 7.966 5.505 1.00 0.00 O ATOM 1550 CB ALA A1015 -19.353 8.404 7.393 1.00 0.00 C ATOM 0 H ALA A1015 -20.782 8.332 5.357 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.346 9.686 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -18.523 8.377 8.099 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -20.059 9.179 7.692 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -19.857 7.437 7.389 1.00 0.00 H new ATOM 1556 N SER A1016 -18.273 6.480 5.248 1.00 0.00 N ATOM 1557 CA SER A1016 -17.413 5.430 4.729 1.00 0.00 C ATOM 1558 C SER A1016 -16.891 5.810 3.347 1.00 0.00 C ATOM 1559 O SER A1016 -15.741 5.533 3.008 1.00 0.00 O ATOM 1560 CB SER A1016 -18.180 4.110 4.658 1.00 0.00 C ATOM 1561 OG SER A1016 -18.689 3.748 5.931 1.00 0.00 O ATOM 0 H SER A1016 -19.254 6.215 5.339 1.00 0.00 H new ATOM 0 HA SER A1016 -16.564 5.308 5.402 1.00 0.00 H new ATOM 0 HB2 SER A1016 -19.001 4.200 3.947 1.00 0.00 H new ATOM 0 HB3 SER A1016 -17.523 3.323 4.288 1.00 0.00 H new ATOM 0 HG SER A1016 -18.312 2.885 6.201 1.00 0.00 H new ATOM 1567 N ALA A1017 -17.740 6.468 2.563 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.376 6.889 1.216 1.00 0.00 C ATOM 1569 C ALA A1017 -16.220 7.887 1.239 1.00 0.00 C ATOM 1570 O ALA A1017 -15.247 7.744 0.497 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.579 7.488 0.504 1.00 0.00 C ATOM 0 H ALA A1017 -18.688 6.722 2.840 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.046 6.007 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.290 7.797 -0.501 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.372 6.743 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -18.938 8.353 1.061 1.00 0.00 H new ATOM 1577 N MET A1018 -16.322 8.893 2.101 1.00 0.00 N ATOM 1578 CA MET A1018 -15.276 9.906 2.204 1.00 0.00 C ATOM 1579 C MET A1018 -14.026 9.329 2.850 1.00 0.00 C ATOM 1580 O MET A1018 -12.908 9.692 2.484 1.00 0.00 O ATOM 1581 CB MET A1018 -15.765 11.126 2.987 1.00 0.00 C ATOM 1582 CG MET A1018 -16.808 11.965 2.256 1.00 0.00 C ATOM 1583 SD MET A1018 -16.188 12.718 0.730 1.00 0.00 S ATOM 1584 CE MET A1018 -16.306 11.357 -0.431 1.00 0.00 C ATOM 0 H MET A1018 -17.111 9.029 2.734 1.00 0.00 H new ATOM 0 HA MET A1018 -15.026 10.228 1.193 1.00 0.00 H new ATOM 0 HB2 MET A1018 -16.186 10.790 3.935 1.00 0.00 H new ATOM 0 HB3 MET A1018 -14.909 11.758 3.224 1.00 0.00 H new ATOM 0 HG2 MET A1018 -17.667 11.337 2.019 1.00 0.00 H new ATOM 0 HG3 MET A1018 -17.162 12.752 2.922 1.00 0.00 H new ATOM 0 HE1 MET A1018 -15.305 11.013 -0.691 1.00 0.00 H new ATOM 0 HE2 MET A1018 -16.864 10.538 0.023 1.00 0.00 H new ATOM 0 HE3 MET A1018 -16.821 11.691 -1.332 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.221 8.421 3.798 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.109 7.737 4.442 1.00 0.00 C ATOM 1596 C GLN A1019 -12.330 6.938 3.400 1.00 0.00 C ATOM 1597 O GLN A1019 -11.100 6.960 3.380 1.00 0.00 O ATOM 1598 CB GLN A1019 -13.628 6.820 5.555 1.00 0.00 C ATOM 1599 CG GLN A1019 -12.536 6.188 6.407 1.00 0.00 C ATOM 1600 CD GLN A1019 -11.709 7.201 7.183 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -10.529 6.974 7.449 1.00 0.00 O ATOM 1602 NE2 GLN A1019 -12.315 8.319 7.560 1.00 0.00 N ATOM 0 H GLN A1019 -15.141 8.141 4.138 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.441 8.472 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -14.291 7.394 6.202 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -14.227 6.027 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -12.992 5.490 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -11.875 5.607 5.764 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -13.295 8.473 7.322 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -11.801 9.024 8.088 1.00 0.00 H new ATOM 1611 N LEU A1020 -13.061 6.252 2.524 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.457 5.524 1.412 1.00 0.00 C ATOM 1613 C LEU A1020 -11.678 6.459 0.500 1.00 0.00 C ATOM 1614 O LEU A1020 -10.518 6.202 0.183 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.531 4.803 0.594 1.00 0.00 C ATOM 1616 CG LEU A1020 -13.946 3.435 1.123 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -15.097 2.879 0.300 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -12.760 2.484 1.086 1.00 0.00 C ATOM 0 H LEU A1020 -14.078 6.185 2.564 1.00 0.00 H new ATOM 0 HA LEU A1020 -11.770 4.792 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.415 5.439 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.168 4.684 -0.427 1.00 0.00 H new ATOM 0 HG LEU A1020 -14.280 3.541 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -15.383 1.902 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -15.948 3.557 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.786 2.779 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -13.064 1.508 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.408 2.381 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -11.956 2.880 1.707 1.00 0.00 H new ATOM 1630 N SER A1021 -12.322 7.545 0.091 1.00 0.00 N ATOM 1631 CA SER A1021 -11.718 8.504 -0.825 1.00 0.00 C ATOM 1632 C SER A1021 -10.405 9.050 -0.264 1.00 0.00 C ATOM 1633 O SER A1021 -9.413 9.174 -0.989 1.00 0.00 O ATOM 1634 CB SER A1021 -12.698 9.650 -1.099 1.00 0.00 C ATOM 1635 OG SER A1021 -12.153 10.591 -2.011 1.00 0.00 O ATOM 0 H SER A1021 -13.270 7.785 0.382 1.00 0.00 H new ATOM 0 HA SER A1021 -11.495 7.992 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A1021 -13.628 9.247 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A1021 -12.946 10.150 -0.163 1.00 0.00 H new ATOM 0 HG SER A1021 -12.802 11.309 -2.167 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.397 9.352 1.029 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.215 9.900 1.676 1.00 0.00 C ATOM 1643 C GLN A1022 -8.110 8.848 1.770 1.00 0.00 C ATOM 1644 O GLN A1022 -6.946 9.126 1.472 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.568 10.419 3.072 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.455 11.233 3.714 1.00 0.00 C ATOM 1647 CD GLN A1022 -8.114 12.475 2.911 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -7.255 12.448 2.031 1.00 0.00 O ATOM 1649 NE2 GLN A1022 -8.790 13.572 3.204 1.00 0.00 N ATOM 0 H GLN A1022 -11.197 9.226 1.649 1.00 0.00 H new ATOM 0 HA GLN A1022 -8.849 10.730 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.466 11.033 3.007 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -9.807 9.573 3.716 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -8.755 11.525 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -7.565 10.612 3.814 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -9.495 13.555 3.941 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -8.607 14.436 2.693 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.480 7.640 2.176 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.517 6.556 2.320 1.00 0.00 C ATOM 1660 C CYS A1023 -6.936 6.159 0.967 1.00 0.00 C ATOM 1661 O CYS A1023 -5.721 6.018 0.830 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.171 5.350 2.992 1.00 0.00 C ATOM 1663 SG CYS A1023 -8.794 5.694 4.653 1.00 0.00 S ATOM 0 H CYS A1023 -9.440 7.386 2.411 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.700 6.909 2.950 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -8.995 5.001 2.370 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.446 4.538 3.046 1.00 0.00 H new ATOM 0 HG CYS A1023 -9.898 6.376 4.570 1.00 0.00 H new ATOM 1669 N ALA A1024 -7.802 6.000 -0.031 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.366 5.649 -1.379 1.00 0.00 C ATOM 1671 C ALA A1024 -6.425 6.708 -1.945 1.00 0.00 C ATOM 1672 O ALA A1024 -5.485 6.390 -2.673 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.567 5.465 -2.294 1.00 0.00 C ATOM 0 H ALA A1024 -8.811 6.109 0.069 1.00 0.00 H new ATOM 0 HA ALA A1024 -6.820 4.707 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.225 5.204 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.200 4.667 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.138 6.393 -2.336 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.679 7.966 -1.602 1.00 0.00 N ATOM 1680 CA LYS A1025 -5.827 9.067 -2.037 1.00 0.00 C ATOM 1681 C LYS A1025 -4.435 8.941 -1.420 1.00 0.00 C ATOM 1682 O LYS A1025 -3.420 9.053 -2.115 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.458 10.409 -1.652 1.00 0.00 C ATOM 1684 CG LYS A1025 -5.601 11.617 -1.997 1.00 0.00 C ATOM 1685 CD LYS A1025 -6.291 12.916 -1.618 1.00 0.00 C ATOM 1686 CE LYS A1025 -7.537 13.159 -2.458 1.00 0.00 C ATOM 1687 NZ LYS A1025 -7.209 13.401 -3.888 1.00 0.00 N ATOM 0 H LYS A1025 -7.470 8.249 -1.023 1.00 0.00 H new ATOM 0 HA LYS A1025 -5.730 9.023 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -7.421 10.504 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -6.656 10.411 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -4.645 11.547 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -5.384 11.617 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -6.563 12.889 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -5.598 13.747 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -8.200 12.298 -2.379 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -8.080 14.017 -2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -8.056 13.743 -4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -6.456 14.115 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -6.886 12.514 -4.325 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.397 8.693 -0.117 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.136 8.540 0.600 1.00 0.00 C ATOM 1703 C ASN A1026 -2.395 7.289 0.143 1.00 0.00 C ATOM 1704 O ASN A1026 -1.196 7.337 -0.130 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.379 8.490 2.112 1.00 0.00 C ATOM 1706 CG ASN A1026 -3.558 9.871 2.718 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -2.594 10.492 3.163 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -4.787 10.366 2.737 1.00 0.00 N ATOM 0 H ASN A1026 -5.227 8.593 0.467 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.515 9.406 0.374 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -4.266 7.890 2.315 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.539 7.991 2.595 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -4.958 11.292 3.130 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -5.562 9.821 2.359 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.120 6.180 0.048 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.555 4.918 -0.418 1.00 0.00 C ATOM 1717 C LEU A1027 -2.028 5.064 -1.842 1.00 0.00 C ATOM 1718 O LEU A1027 -0.943 4.583 -2.164 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.613 3.809 -0.352 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.153 2.427 -0.830 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -1.998 1.918 0.018 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.314 1.441 -0.797 1.00 0.00 C ATOM 0 H LEU A1027 -4.110 6.130 0.290 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.723 4.647 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -3.958 3.721 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.471 4.114 -0.951 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.804 2.520 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.689 0.936 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.160 2.611 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.316 1.841 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -3.972 0.464 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.691 1.357 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.111 1.795 -1.451 1.00 0.00 H new ATOM 1734 N GLY A1028 -2.795 5.748 -2.680 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.386 5.982 -4.050 1.00 0.00 C ATOM 1736 C GLY A1028 -1.068 6.729 -4.139 1.00 0.00 C ATOM 1737 O GLY A1028 -0.183 6.347 -4.905 1.00 0.00 O ATOM 0 H GLY A1028 -3.700 6.148 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.295 5.027 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.159 6.552 -4.565 1.00 0.00 H new ATOM 1741 N THR A1029 -0.932 7.785 -3.349 1.00 0.00 N ATOM 1742 CA THR A1029 0.296 8.567 -3.331 1.00 0.00 C ATOM 1743 C THR A1029 1.429 7.770 -2.684 1.00 0.00 C ATOM 1744 O THR A1029 2.592 7.888 -3.073 1.00 0.00 O ATOM 1745 CB THR A1029 0.098 9.887 -2.570 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.122 10.512 -2.995 1.00 0.00 O ATOM 1747 CG2 THR A1029 1.264 10.836 -2.811 1.00 0.00 C ATOM 0 H THR A1029 -1.656 8.119 -2.713 1.00 0.00 H new ATOM 0 HA THR A1029 0.560 8.794 -4.364 1.00 0.00 H new ATOM 0 HB THR A1029 0.048 9.663 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A1029 -1.886 10.023 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A1029 1.099 11.762 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A1029 2.188 10.371 -2.469 1.00 0.00 H new ATOM 0 HG23 THR A1029 1.341 11.055 -3.876 1.00 0.00 H new ATOM 1755 N ALA A1030 1.077 6.956 -1.693 1.00 0.00 N ATOM 1756 CA ALA A1030 2.038 6.073 -1.047 1.00 0.00 C ATOM 1757 C ALA A1030 2.618 5.095 -2.058 1.00 0.00 C ATOM 1758 O ALA A1030 3.827 4.887 -2.115 1.00 0.00 O ATOM 1759 CB ALA A1030 1.375 5.330 0.105 1.00 0.00 C ATOM 0 H ALA A1030 0.130 6.891 -1.320 1.00 0.00 H new ATOM 0 HA ALA A1030 2.855 6.673 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A1030 2.103 4.673 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A1030 1.003 6.049 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.544 4.736 -0.275 1.00 0.00 H new ATOM 1765 N LEU A1031 1.745 4.514 -2.872 1.00 0.00 N ATOM 1766 CA LEU A1031 2.165 3.603 -3.929 1.00 0.00 C ATOM 1767 C LEU A1031 2.917 4.355 -5.017 1.00 0.00 C ATOM 1768 O LEU A1031 3.829 3.815 -5.640 1.00 0.00 O ATOM 1769 CB LEU A1031 0.952 2.898 -4.530 1.00 0.00 C ATOM 1770 CG LEU A1031 0.177 2.014 -3.555 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.070 1.464 -4.219 1.00 0.00 C ATOM 1772 CD2 LEU A1031 1.058 0.883 -3.053 1.00 0.00 C ATOM 0 H LEU A1031 0.737 4.659 -2.819 1.00 0.00 H new ATOM 0 HA LEU A1031 2.832 2.858 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.275 3.651 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.284 2.286 -5.369 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.126 2.619 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.612 0.836 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.708 2.289 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.788 0.871 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.492 0.261 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.388 0.277 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.927 1.298 -2.542 1.00 0.00 H new ATOM 1784 N ALA A1032 2.528 5.604 -5.237 1.00 0.00 N ATOM 1785 CA ALA A1032 3.175 6.456 -6.226 1.00 0.00 C ATOM 1786 C ALA A1032 4.662 6.617 -5.922 1.00 0.00 C ATOM 1787 O ALA A1032 5.509 6.423 -6.797 1.00 0.00 O ATOM 1788 CB ALA A1032 2.490 7.816 -6.277 1.00 0.00 C ATOM 0 H ALA A1032 1.760 6.053 -4.738 1.00 0.00 H new ATOM 0 HA ALA A1032 3.082 5.979 -7.201 1.00 0.00 H new ATOM 0 HB1 ALA A1032 2.982 8.444 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.443 7.686 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.554 8.293 -5.299 1.00 0.00 H new ATOM 1794 N GLU A1033 4.983 6.953 -4.679 1.00 0.00 N ATOM 1795 CA GLU A1033 6.375 7.130 -4.289 1.00 0.00 C ATOM 1796 C GLU A1033 7.053 5.779 -4.075 1.00 0.00 C ATOM 1797 O GLU A1033 8.255 5.644 -4.297 1.00 0.00 O ATOM 1798 CB GLU A1033 6.498 8.008 -3.039 1.00 0.00 C ATOM 1799 CG GLU A1033 5.831 7.441 -1.797 1.00 0.00 C ATOM 1800 CD GLU A1033 5.968 8.362 -0.601 1.00 0.00 C ATOM 1801 OE1 GLU A1033 7.004 8.298 0.098 1.00 0.00 O ATOM 1802 OE2 GLU A1033 5.045 9.171 -0.359 1.00 0.00 O ATOM 0 H GLU A1033 4.306 7.107 -3.931 1.00 0.00 H new ATOM 0 HA GLU A1033 6.886 7.643 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.555 8.168 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.065 8.985 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.774 7.269 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.272 6.473 -1.560 1.00 0.00 H new ATOM 1809 N LEU A1034 6.273 4.783 -3.664 1.00 0.00 N ATOM 1810 CA LEU A1034 6.792 3.433 -3.460 1.00 0.00 C ATOM 1811 C LEU A1034 7.247 2.829 -4.784 1.00 0.00 C ATOM 1812 O LEU A1034 8.331 2.256 -4.873 1.00 0.00 O ATOM 1813 CB LEU A1034 5.724 2.540 -2.817 1.00 0.00 C ATOM 1814 CG LEU A1034 6.176 1.118 -2.474 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.287 1.145 -1.437 1.00 0.00 C ATOM 1816 CD2 LEU A1034 5.003 0.291 -1.975 1.00 0.00 C ATOM 0 H LEU A1034 5.278 4.885 -3.465 1.00 0.00 H new ATOM 0 HA LEU A1034 7.649 3.495 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.374 3.022 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A1034 4.871 2.479 -3.493 1.00 0.00 H new ATOM 0 HG LEU A1034 6.564 0.654 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.594 0.125 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.138 1.701 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A1034 6.926 1.629 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.344 -0.717 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.585 0.754 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.237 0.241 -2.749 1.00 0.00 H new ATOM 1828 N ARG A1035 6.416 2.970 -5.809 1.00 0.00 N ATOM 1829 CA ARG A1035 6.736 2.449 -7.132 1.00 0.00 C ATOM 1830 C ARG A1035 7.974 3.138 -7.695 1.00 0.00 C ATOM 1831 O ARG A1035 8.889 2.476 -8.184 1.00 0.00 O ATOM 1832 CB ARG A1035 5.546 2.629 -8.077 1.00 0.00 C ATOM 1833 CG ARG A1035 5.827 2.208 -9.512 1.00 0.00 C ATOM 1834 CD ARG A1035 4.594 2.356 -10.387 1.00 0.00 C ATOM 1835 NE ARG A1035 4.051 3.710 -10.343 1.00 0.00 N ATOM 1836 CZ ARG A1035 2.759 4.001 -10.494 1.00 0.00 C ATOM 1837 NH1 ARG A1035 1.886 3.044 -10.794 1.00 0.00 N ATOM 1838 NH2 ARG A1035 2.338 5.250 -10.370 1.00 0.00 N ATOM 0 H ARG A1035 5.514 3.442 -5.749 1.00 0.00 H new ATOM 0 HA ARG A1035 6.949 1.384 -7.041 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.703 2.051 -7.698 1.00 0.00 H new ATOM 0 HB3 ARG A1035 5.244 3.676 -8.069 1.00 0.00 H new ATOM 0 HG2 ARG A1035 6.637 2.814 -9.918 1.00 0.00 H new ATOM 0 HG3 ARG A1035 6.164 1.172 -9.529 1.00 0.00 H new ATOM 0 HD2 ARG A1035 4.847 2.100 -11.416 1.00 0.00 H new ATOM 0 HD3 ARG A1035 3.831 1.649 -10.061 1.00 0.00 H new ATOM 0 HE ARG A1035 4.700 4.481 -10.187 1.00 0.00 H new ATOM 0 HH11 ARG A1035 2.204 2.082 -10.910 1.00 0.00 H new ATOM 0 HH12 ARG A1035 0.898 3.272 -10.908 1.00 0.00 H new ATOM 0 HH21 ARG A1035 3.003 5.994 -10.158 1.00 0.00 H new ATOM 0 HH22 ARG A1035 1.349 5.469 -10.486 1.00 0.00 H new ATOM 1852 N THR A1036 8.010 4.462 -7.604 1.00 0.00 N ATOM 1853 CA THR A1036 9.151 5.228 -8.086 1.00 0.00 C ATOM 1854 C THR A1036 10.418 4.843 -7.318 1.00 0.00 C ATOM 1855 O THR A1036 11.516 4.790 -7.882 1.00 0.00 O ATOM 1856 CB THR A1036 8.898 6.741 -7.946 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.596 7.061 -8.451 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.945 7.541 -8.709 1.00 0.00 C ATOM 0 H THR A1036 7.262 5.027 -7.201 1.00 0.00 H new ATOM 0 HA THR A1036 9.288 4.994 -9.142 1.00 0.00 H new ATOM 0 HB THR A1036 8.962 7.002 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.930 6.932 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.744 8.606 -8.594 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.935 7.314 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A1036 9.906 7.276 -9.766 1.00 0.00 H new ATOM 1866 N ALA A1037 10.252 4.560 -6.031 1.00 0.00 N ATOM 1867 CA ALA A1037 11.358 4.130 -5.195 1.00 0.00 C ATOM 1868 C ALA A1037 11.842 2.750 -5.617 1.00 0.00 C ATOM 1869 O ALA A1037 13.030 2.558 -5.867 1.00 0.00 O ATOM 1870 CB ALA A1037 10.959 4.141 -3.728 1.00 0.00 C ATOM 0 H ALA A1037 9.357 4.622 -5.546 1.00 0.00 H new ATOM 0 HA ALA A1037 12.181 4.833 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A1037 11.802 3.815 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A1037 10.670 5.151 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.118 3.465 -3.575 1.00 0.00 H new ATOM 1876 N ALA A1038 10.912 1.806 -5.725 1.00 0.00 N ATOM 1877 CA ALA A1038 11.238 0.431 -6.096 1.00 0.00 C ATOM 1878 C ALA A1038 11.850 0.365 -7.490 1.00 0.00 C ATOM 1879 O ALA A1038 12.776 -0.409 -7.733 1.00 0.00 O ATOM 1880 CB ALA A1038 9.996 -0.445 -6.024 1.00 0.00 C ATOM 0 H ALA A1038 9.919 1.969 -5.560 1.00 0.00 H new ATOM 0 HA ALA A1038 11.976 0.058 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.255 -1.466 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A1038 9.602 -0.435 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.240 -0.062 -6.710 1.00 0.00 H new ATOM 1886 N GLN A1039 11.325 1.181 -8.396 1.00 0.00 N ATOM 1887 CA GLN A1039 11.827 1.249 -9.762 1.00 0.00 C ATOM 1888 C GLN A1039 13.318 1.572 -9.773 1.00 0.00 C ATOM 1889 O GLN A1039 14.138 0.773 -10.229 1.00 0.00 O ATOM 1890 CB GLN A1039 11.055 2.310 -10.551 1.00 0.00 C ATOM 1891 CG GLN A1039 11.562 2.511 -11.968 1.00 0.00 C ATOM 1892 CD GLN A1039 10.819 3.606 -12.706 1.00 0.00 C ATOM 1893 OE1 GLN A1039 9.632 3.846 -12.467 1.00 0.00 O ATOM 1894 NE2 GLN A1039 11.514 4.291 -13.597 1.00 0.00 N ATOM 0 H GLN A1039 10.545 1.810 -8.206 1.00 0.00 H new ATOM 0 HA GLN A1039 11.681 0.277 -10.232 1.00 0.00 H new ATOM 0 HB2 GLN A1039 10.003 2.027 -10.588 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.111 3.259 -10.017 1.00 0.00 H new ATOM 0 HG2 GLN A1039 12.624 2.755 -11.938 1.00 0.00 H new ATOM 0 HG3 GLN A1039 11.465 1.576 -12.520 1.00 0.00 H new ATOM 0 HE21 GLN A1039 12.493 4.062 -13.766 1.00 0.00 H new ATOM 0 HE22 GLN A1039 11.071 5.049 -14.116 1.00 0.00 H new ATOM 1903 N LYS A1040 13.669 2.731 -9.223 1.00 0.00 N ATOM 1904 CA LYS A1040 15.052 3.195 -9.241 1.00 0.00 C ATOM 1905 C LYS A1040 15.880 2.538 -8.141 1.00 0.00 C ATOM 1906 O LYS A1040 16.976 2.984 -7.837 1.00 0.00 O ATOM 1907 CB LYS A1040 15.112 4.721 -9.113 1.00 0.00 C ATOM 1908 CG LYS A1040 14.542 5.451 -10.322 1.00 0.00 C ATOM 1909 CD LYS A1040 14.853 6.940 -10.289 1.00 0.00 C ATOM 1910 CE LYS A1040 14.088 7.665 -9.192 1.00 0.00 C ATOM 1911 NZ LYS A1040 14.390 9.122 -9.181 1.00 0.00 N ATOM 0 H LYS A1040 13.017 3.364 -8.761 1.00 0.00 H new ATOM 0 HA LYS A1040 15.482 2.905 -10.200 1.00 0.00 H new ATOM 0 HB2 LYS A1040 14.563 5.026 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A1040 16.149 5.026 -8.969 1.00 0.00 H new ATOM 0 HG2 LYS A1040 14.951 5.016 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A1040 13.462 5.307 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A1040 15.923 7.082 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A1040 14.606 7.382 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A1040 13.018 7.516 -9.335 1.00 0.00 H new ATOM 0 HE3 LYS A1040 14.343 7.233 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 13.851 9.583 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 15.407 9.264 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 14.123 9.539 -10.096 1.00 0.00 H new ATOM 1925 N ALA A1041 15.348 1.484 -7.543 1.00 0.00 N ATOM 1926 CA ALA A1041 16.106 0.683 -6.594 1.00 0.00 C ATOM 1927 C ALA A1041 16.349 -0.707 -7.165 1.00 0.00 C ATOM 1928 O ALA A1041 17.084 -1.511 -6.591 1.00 0.00 O ATOM 1929 CB ALA A1041 15.380 0.589 -5.261 1.00 0.00 C ATOM 0 H ALA A1041 14.392 1.162 -7.698 1.00 0.00 H new ATOM 0 HA ALA A1041 17.066 1.169 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A1041 15.967 -0.015 -4.569 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.247 1.589 -4.848 1.00 0.00 H new ATOM 0 HB3 ALA A1041 14.405 0.126 -5.410 1.00 0.00 H new ATOM 1935 N GLN A1042 15.723 -0.979 -8.303 1.00 0.00 N ATOM 1936 CA GLN A1042 15.835 -2.277 -8.953 1.00 0.00 C ATOM 1937 C GLN A1042 16.692 -2.172 -10.211 1.00 0.00 C ATOM 1938 O GLN A1042 17.731 -2.823 -10.328 1.00 0.00 O ATOM 1939 CB GLN A1042 14.449 -2.802 -9.326 1.00 0.00 C ATOM 1940 CG GLN A1042 14.467 -4.185 -9.955 1.00 0.00 C ATOM 1941 CD GLN A1042 13.509 -4.308 -11.125 1.00 0.00 C ATOM 1942 OE1 GLN A1042 13.734 -5.095 -12.043 1.00 0.00 O ATOM 1943 NE2 GLN A1042 12.446 -3.520 -11.117 1.00 0.00 N ATOM 0 H GLN A1042 15.129 -0.313 -8.797 1.00 0.00 H new ATOM 0 HA GLN A1042 16.308 -2.968 -8.256 1.00 0.00 H new ATOM 0 HB2 GLN A1042 13.827 -2.828 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A1042 13.980 -2.104 -10.019 1.00 0.00 H new ATOM 0 HG2 GLN A1042 15.478 -4.413 -10.293 1.00 0.00 H new ATOM 0 HG3 GLN A1042 14.209 -4.927 -9.199 1.00 0.00 H new ATOM 0 HE21 GLN A1042 12.292 -2.879 -10.338 1.00 0.00 H new ATOM 0 HE22 GLN A1042 11.781 -3.553 -11.890 1.00 0.00 H new