USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=28 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= -0.104 K(o=-0.1,f=-0.68) USER MOD Set 1.2: A1026 ASN : amide:sc= 0 K(o=-0.1,f=-1.5) USER MOD Set 2.1: A 937 HIS :FLIP no HE2:sc= 0.145 F(o=0.0061,f=1.5) USER MOD Set 2.2: A1016 SER OG : rot 84:sc= 1.35 USER MOD Set 3.1: A 991 GLN :FLIP amide:sc= -0.256 F(o=-0.98,f=-0.26) USER MOD Set 3.2: A1042 GLN : amide:sc= 0 K(o=-0.26,f=-1.6) USER MOD Set 4.1: A 922 LYS NZ :NH3+ 149:sc= 0.251 (180deg=0) USER MOD Set 4.2: A 974 GLN : amide:sc= -0.723 K(o=-0.47,f=-1.1) USER MOD Set 5.1: A 962 GLN : amide:sc= 0.884 K(o=2,f=-0.82) USER MOD Set 5.2: A 992 SER OG : rot -91:sc= 1.13 USER MOD Set 6.1: A 954 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.26) USER MOD Set 6.2: A 957 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 915 GLN : amide:sc= -1.7 X(o=-1,f=-0.87) USER MOD Set 7.2: A 919 HIS : no HE2:sc= 0.693 K(o=-1,f=-3!) USER MOD Single : A 923 GLN :FLIP amide:sc= -0.759 F(o=-3.3!,f=-0.76) USER MOD Single : A 927 SER OG : rot 82:sc= 1.21 USER MOD Single : A 929 THR OG1 : rot 77:sc= 0.522 USER MOD Single : A 930 GLN :FLIP amide:sc= -0.25 F(o=-1.8,f=-0.25) USER MOD Single : A 931 THR OG1 : rot 86:sc= 1 USER MOD Single : A 936 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 955 SER OG : rot -170:sc= -0.443 USER MOD Single : A 956 CYS SG : rot -28:sc= 0.253 USER MOD Single : A 968 GLN : amide:sc= -0.375 K(o=-0.37,f=-10!) USER MOD Single : A 973 SER OG : rot -110:sc= -1.25 USER MOD Single : A 976 GLN : amide:sc= 1.05 K(o=1,f=-0.031) USER MOD Single : A 979 SER OG : rot 180:sc= 0 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 983 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 990 SER OG : rot 86:sc= 0.675 USER MOD Single : A 995 GLN : amide:sc= -0.0384 K(o=-0.038,f=-1.3!) USER MOD Single : A 999 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1000 MET CE :methyl 168:sc= -0.912 (180deg=-1.27) USER MOD Single : A1005 LYS NZ :NH3+ -169:sc= -0.0134 (180deg=-0.137) USER MOD Single : A1007 SER OG : rot 90:sc= 1.34 USER MOD Single : A1010 THR OG1 : rot 7:sc= 0.596 USER MOD Single : A1012 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.44) USER MOD Single : A1014 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A1018 MET CE :methyl -140:sc= -0.134 (180deg=-0.667) USER MOD Single : A1019 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.5) USER MOD Single : A1021 SER OG : rot 72:sc= 0.479 USER MOD Single : A1023 CYS SG : rot 68:sc= 1.03 USER MOD Single : A1025 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1029 THR OG1 : rot 83:sc= 1.17 USER MOD Single : A1036 THR OG1 : rot 92:sc= 1.19 USER MOD Single : A1039 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A1040 LYS NZ :NH3+ -169:sc=-0.00912 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 913 18.391 4.796 -2.420 1.00 0.00 N ATOM 90 CA LEU A 913 17.493 3.841 -3.087 1.00 0.00 C ATOM 91 C LEU A 913 16.622 3.100 -2.081 1.00 0.00 C ATOM 92 O LEU A 913 15.397 3.113 -2.181 1.00 0.00 O ATOM 93 CB LEU A 913 18.268 2.852 -3.966 1.00 0.00 C ATOM 94 CG LEU A 913 18.971 3.478 -5.173 1.00 0.00 C ATOM 95 CD1 LEU A 913 19.619 2.401 -6.030 1.00 0.00 C ATOM 96 CD2 LEU A 913 17.988 4.299 -5.998 1.00 0.00 C ATOM 0 HA LEU A 913 16.838 4.421 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 913 19.013 2.348 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.578 2.087 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 913 19.753 4.144 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.114 2.864 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.353 1.856 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 913 18.855 1.710 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 913 18.506 4.736 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 913 17.184 3.655 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 913 17.570 5.094 -5.381 1.00 0.00 H new ATOM 108 N VAL A 914 17.249 2.476 -1.104 1.00 0.00 N ATOM 109 CA VAL A 914 16.516 1.818 -0.034 1.00 0.00 C ATOM 110 C VAL A 914 15.912 2.869 0.889 1.00 0.00 C ATOM 111 O VAL A 914 14.921 2.624 1.568 1.00 0.00 O ATOM 112 CB VAL A 914 17.411 0.848 0.769 1.00 0.00 C ATOM 113 CG1 VAL A 914 17.874 -0.301 -0.113 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.607 1.574 1.369 1.00 0.00 C ATOM 0 H VAL A 914 18.264 2.409 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 914 15.722 1.223 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 914 16.818 0.442 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 914 18.503 -0.975 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 914 17.007 -0.846 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 914 18.444 0.093 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 914 19.219 0.866 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 914 19.202 2.016 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 914 18.257 2.360 2.039 1.00 0.00 H new ATOM 124 N GLN A 915 16.510 4.058 0.852 1.00 0.00 N ATOM 125 CA GLN A 915 16.047 5.207 1.622 1.00 0.00 C ATOM 126 C GLN A 915 14.578 5.489 1.324 1.00 0.00 C ATOM 127 O GLN A 915 13.751 5.620 2.234 1.00 0.00 O ATOM 128 CB GLN A 915 16.904 6.425 1.248 1.00 0.00 C ATOM 129 CG GLN A 915 16.893 7.564 2.260 1.00 0.00 C ATOM 130 CD GLN A 915 15.614 8.388 2.268 1.00 0.00 C ATOM 131 OE1 GLN A 915 15.209 8.901 3.310 1.00 0.00 O ATOM 132 NE2 GLN A 915 14.990 8.554 1.112 1.00 0.00 N ATOM 0 H GLN A 915 17.334 4.251 0.283 1.00 0.00 H new ATOM 0 HA GLN A 915 16.144 4.997 2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 915 17.933 6.095 1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 915 16.559 6.810 0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 915 17.050 7.150 3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 915 17.735 8.225 2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 915 15.355 8.113 0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 915 14.145 9.123 1.066 1.00 0.00 H new ATOM 141 N ARG A 916 14.265 5.582 0.038 1.00 0.00 N ATOM 142 CA ARG A 916 12.910 5.869 -0.401 1.00 0.00 C ATOM 143 C ARG A 916 12.014 4.650 -0.209 1.00 0.00 C ATOM 144 O ARG A 916 10.822 4.791 0.045 1.00 0.00 O ATOM 145 CB ARG A 916 12.902 6.332 -1.862 1.00 0.00 C ATOM 146 CG ARG A 916 13.569 5.361 -2.822 1.00 0.00 C ATOM 147 CD ARG A 916 13.605 5.902 -4.243 1.00 0.00 C ATOM 148 NE ARG A 916 14.440 7.097 -4.359 1.00 0.00 N ATOM 149 CZ ARG A 916 14.007 8.268 -4.822 1.00 0.00 C ATOM 150 NH1 ARG A 916 12.731 8.420 -5.161 1.00 0.00 N ATOM 151 NH2 ARG A 916 14.847 9.290 -4.932 1.00 0.00 N ATOM 0 H ARG A 916 14.936 5.462 -0.721 1.00 0.00 H new ATOM 0 HA ARG A 916 12.514 6.679 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 916 11.870 6.488 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 916 13.405 7.297 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 916 14.586 5.158 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 916 13.033 4.412 -2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 916 13.983 5.131 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 916 12.591 6.137 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 916 15.415 7.029 -4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 916 12.082 7.639 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 916 12.401 9.318 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 916 15.824 9.178 -4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 916 14.515 10.187 -5.287 1.00 0.00 H new ATOM 165 N LEU A 917 12.600 3.458 -0.311 1.00 0.00 N ATOM 166 CA LEU A 917 11.860 2.222 -0.077 1.00 0.00 C ATOM 167 C LEU A 917 11.322 2.176 1.346 1.00 0.00 C ATOM 168 O LEU A 917 10.128 1.974 1.553 1.00 0.00 O ATOM 169 CB LEU A 917 12.740 0.999 -0.335 1.00 0.00 C ATOM 170 CG LEU A 917 12.870 0.589 -1.800 1.00 0.00 C ATOM 171 CD1 LEU A 917 13.809 -0.598 -1.940 1.00 0.00 C ATOM 172 CD2 LEU A 917 11.505 0.251 -2.372 1.00 0.00 C ATOM 0 H LEU A 917 13.582 3.323 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 917 11.022 2.203 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.736 1.198 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 917 12.337 0.156 0.227 1.00 0.00 H new ATOM 0 HG LEU A 917 13.288 1.426 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 917 13.889 -0.876 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 917 14.794 -0.329 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 917 13.417 -1.441 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 917 11.610 -0.040 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 917 11.068 -0.573 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.855 1.123 -2.302 1.00 0.00 H new ATOM 184 N GLU A 918 12.211 2.379 2.315 1.00 0.00 N ATOM 185 CA GLU A 918 11.833 2.401 3.724 1.00 0.00 C ATOM 186 C GLU A 918 10.666 3.350 3.953 1.00 0.00 C ATOM 187 O GLU A 918 9.630 2.967 4.487 1.00 0.00 O ATOM 188 CB GLU A 918 13.012 2.857 4.584 1.00 0.00 C ATOM 189 CG GLU A 918 14.239 1.974 4.479 1.00 0.00 C ATOM 190 CD GLU A 918 15.425 2.571 5.203 1.00 0.00 C ATOM 191 OE1 GLU A 918 15.549 2.361 6.425 1.00 0.00 O ATOM 192 OE2 GLU A 918 16.251 3.234 4.548 1.00 0.00 O ATOM 0 H GLU A 918 13.205 2.532 2.147 1.00 0.00 H new ATOM 0 HA GLU A 918 11.540 1.390 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.284 3.873 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.694 2.894 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 918 14.016 0.991 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.491 1.826 3.429 1.00 0.00 H new ATOM 199 N HIS A 919 10.844 4.588 3.515 1.00 0.00 N ATOM 200 CA HIS A 919 9.869 5.646 3.760 1.00 0.00 C ATOM 201 C HIS A 919 8.547 5.382 3.052 1.00 0.00 C ATOM 202 O HIS A 919 7.477 5.532 3.647 1.00 0.00 O ATOM 203 CB HIS A 919 10.439 6.997 3.327 1.00 0.00 C ATOM 204 CG HIS A 919 11.399 7.579 4.315 1.00 0.00 C ATOM 205 ND1 HIS A 919 12.719 7.190 4.416 1.00 0.00 N ATOM 206 CD2 HIS A 919 11.216 8.521 5.270 1.00 0.00 C ATOM 207 CE1 HIS A 919 13.300 7.865 5.393 1.00 0.00 C ATOM 208 NE2 HIS A 919 12.409 8.679 5.922 1.00 0.00 N ATOM 0 H HIS A 919 11.661 4.888 2.983 1.00 0.00 H new ATOM 0 HA HIS A 919 9.667 5.663 4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 919 10.943 6.880 2.367 1.00 0.00 H new ATOM 0 HB3 HIS A 919 9.618 7.697 3.173 1.00 0.00 H new ATOM 0 HD1 HIS A 919 13.175 6.491 3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 919 10.298 9.050 5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 919 14.329 7.766 5.704 1.00 0.00 H new ATOM 216 N ALA A 920 8.616 4.974 1.795 1.00 0.00 N ATOM 217 CA ALA A 920 7.412 4.746 1.013 1.00 0.00 C ATOM 218 C ALA A 920 6.650 3.526 1.511 1.00 0.00 C ATOM 219 O ALA A 920 5.425 3.541 1.576 1.00 0.00 O ATOM 220 CB ALA A 920 7.750 4.599 -0.460 1.00 0.00 C ATOM 0 H ALA A 920 9.488 4.795 1.297 1.00 0.00 H new ATOM 0 HA ALA A 920 6.767 5.616 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 920 6.835 4.429 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.234 5.509 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.424 3.753 -0.596 1.00 0.00 H new ATOM 226 N ALA A 921 7.377 2.478 1.880 1.00 0.00 N ATOM 227 CA ALA A 921 6.752 1.247 2.350 1.00 0.00 C ATOM 228 C ALA A 921 6.068 1.451 3.699 1.00 0.00 C ATOM 229 O ALA A 921 5.008 0.880 3.950 1.00 0.00 O ATOM 230 CB ALA A 921 7.770 0.124 2.428 1.00 0.00 C ATOM 0 H ALA A 921 8.397 2.455 1.863 1.00 0.00 H new ATOM 0 HA ALA A 921 5.985 0.967 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.283 -0.785 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.194 -0.052 1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.565 0.401 3.120 1.00 0.00 H new ATOM 236 N LYS A 922 6.668 2.274 4.559 1.00 0.00 N ATOM 237 CA LYS A 922 6.072 2.578 5.859 1.00 0.00 C ATOM 238 C LYS A 922 4.721 3.261 5.680 1.00 0.00 C ATOM 239 O LYS A 922 3.712 2.822 6.237 1.00 0.00 O ATOM 240 CB LYS A 922 6.984 3.483 6.695 1.00 0.00 C ATOM 241 CG LYS A 922 8.283 2.827 7.127 1.00 0.00 C ATOM 242 CD LYS A 922 9.166 3.802 7.892 1.00 0.00 C ATOM 243 CE LYS A 922 10.565 3.244 8.095 1.00 0.00 C ATOM 244 NZ LYS A 922 11.456 4.201 8.797 1.00 0.00 N ATOM 0 H LYS A 922 7.559 2.738 4.381 1.00 0.00 H new ATOM 0 HA LYS A 922 5.939 1.632 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.216 4.378 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.441 3.807 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 922 8.065 1.962 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.817 2.460 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 922 9.224 4.745 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 922 8.716 4.020 8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 922 10.505 2.319 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 922 10.997 2.992 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 12.152 3.676 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 11.952 4.790 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 10.889 4.809 9.422 1.00 0.00 H new ATOM 258 N GLN A 923 4.701 4.327 4.881 1.00 0.00 N ATOM 259 CA GLN A 923 3.474 5.081 4.663 1.00 0.00 C ATOM 260 C GLN A 923 2.485 4.271 3.830 1.00 0.00 C ATOM 261 O GLN A 923 1.273 4.454 3.946 1.00 0.00 O ATOM 262 CB GLN A 923 3.759 6.437 4.000 1.00 0.00 C ATOM 263 CG GLN A 923 4.258 6.345 2.566 1.00 0.00 C ATOM 264 CD GLN A 923 4.442 7.707 1.924 1.00 0.00 C ATOM 265 OE1 GLN A 923 4.220 7.784 0.622 1.00 0.00 O flip ATOM 266 NE2 GLN A 923 4.771 8.687 2.593 1.00 0.00 N flip ATOM 0 H GLN A 923 5.514 4.683 4.379 1.00 0.00 H new ATOM 0 HA GLN A 923 3.027 5.276 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 923 2.847 7.034 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.500 6.970 4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.207 5.808 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 923 3.551 5.762 1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 923 4.934 8.589 3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 923 4.881 9.597 2.145 1.00 0.00 H new ATOM 275 N ALA A 924 3.000 3.371 2.998 1.00 0.00 N ATOM 276 CA ALA A 924 2.150 2.473 2.227 1.00 0.00 C ATOM 277 C ALA A 924 1.442 1.503 3.157 1.00 0.00 C ATOM 278 O ALA A 924 0.227 1.348 3.092 1.00 0.00 O ATOM 279 CB ALA A 924 2.959 1.718 1.184 1.00 0.00 C ATOM 0 H ALA A 924 4.000 3.245 2.841 1.00 0.00 H new ATOM 0 HA ALA A 924 1.403 3.070 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.301 1.055 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.426 2.428 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.731 1.129 1.679 1.00 0.00 H new ATOM 285 N ALA A 925 2.214 0.872 4.035 1.00 0.00 N ATOM 286 CA ALA A 925 1.670 -0.054 5.019 1.00 0.00 C ATOM 287 C ALA A 925 0.636 0.642 5.903 1.00 0.00 C ATOM 288 O ALA A 925 -0.429 0.091 6.195 1.00 0.00 O ATOM 289 CB ALA A 925 2.798 -0.632 5.867 1.00 0.00 C ATOM 0 H ALA A 925 3.226 0.987 4.084 1.00 0.00 H new ATOM 0 HA ALA A 925 1.171 -0.868 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.384 -1.324 6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.501 -1.162 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.316 0.176 6.383 1.00 0.00 H new ATOM 295 N ALA A 926 0.958 1.864 6.309 1.00 0.00 N ATOM 296 CA ALA A 926 0.064 2.669 7.131 1.00 0.00 C ATOM 297 C ALA A 926 -1.232 2.988 6.391 1.00 0.00 C ATOM 298 O ALA A 926 -2.328 2.741 6.893 1.00 0.00 O ATOM 299 CB ALA A 926 0.758 3.957 7.542 1.00 0.00 C ATOM 0 H ALA A 926 1.840 2.322 6.080 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.189 2.093 8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 926 0.084 4.554 8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.656 3.720 8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 926 1.033 4.522 6.652 1.00 0.00 H new ATOM 305 N SER A 927 -1.096 3.531 5.190 1.00 0.00 N ATOM 306 CA SER A 927 -2.245 3.947 4.399 1.00 0.00 C ATOM 307 C SER A 927 -3.086 2.747 3.965 1.00 0.00 C ATOM 308 O SER A 927 -4.313 2.837 3.888 1.00 0.00 O ATOM 309 CB SER A 927 -1.772 4.740 3.182 1.00 0.00 C ATOM 310 OG SER A 927 -1.012 5.868 3.584 1.00 0.00 O ATOM 0 H SER A 927 -0.195 3.695 4.740 1.00 0.00 H new ATOM 0 HA SER A 927 -2.877 4.583 5.018 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.170 4.101 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 927 -2.632 5.065 2.596 1.00 0.00 H new ATOM 0 HG SER A 927 -0.090 5.593 3.767 1.00 0.00 H new ATOM 316 N ALA A 928 -2.428 1.625 3.697 1.00 0.00 N ATOM 317 CA ALA A 928 -3.122 0.404 3.310 1.00 0.00 C ATOM 318 C ALA A 928 -4.054 -0.062 4.416 1.00 0.00 C ATOM 319 O ALA A 928 -5.226 -0.342 4.173 1.00 0.00 O ATOM 320 CB ALA A 928 -2.124 -0.690 2.973 1.00 0.00 C ATOM 0 H ALA A 928 -1.413 1.536 3.741 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.719 0.621 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.659 -1.595 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.493 -0.364 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.503 -0.897 3.844 1.00 0.00 H new ATOM 326 N THR A 929 -3.523 -0.121 5.633 1.00 0.00 N ATOM 327 CA THR A 929 -4.298 -0.535 6.796 1.00 0.00 C ATOM 328 C THR A 929 -5.540 0.342 6.964 1.00 0.00 C ATOM 329 O THR A 929 -6.640 -0.156 7.220 1.00 0.00 O ATOM 330 CB THR A 929 -3.431 -0.469 8.072 1.00 0.00 C ATOM 331 OG1 THR A 929 -2.237 -1.244 7.888 1.00 0.00 O ATOM 332 CG2 THR A 929 -4.191 -0.990 9.282 1.00 0.00 C ATOM 0 H THR A 929 -2.552 0.115 5.839 1.00 0.00 H new ATOM 0 HA THR A 929 -4.620 -1.564 6.638 1.00 0.00 H new ATOM 0 HB THR A 929 -3.172 0.575 8.251 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.603 -0.742 7.334 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.554 -0.931 10.165 1.00 0.00 H new ATOM 0 HG22 THR A 929 -5.085 -0.386 9.438 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.479 -2.027 9.112 1.00 0.00 H new ATOM 340 N GLN A 930 -5.356 1.646 6.781 1.00 0.00 N ATOM 341 CA GLN A 930 -6.449 2.605 6.887 1.00 0.00 C ATOM 342 C GLN A 930 -7.483 2.383 5.784 1.00 0.00 C ATOM 343 O GLN A 930 -8.687 2.428 6.033 1.00 0.00 O ATOM 344 CB GLN A 930 -5.902 4.031 6.814 1.00 0.00 C ATOM 345 CG GLN A 930 -4.963 4.378 7.957 1.00 0.00 C ATOM 346 CD GLN A 930 -4.292 5.721 7.766 1.00 0.00 C ATOM 347 OE1 GLN A 930 -3.134 5.710 7.128 1.00 0.00 O flip ATOM 348 NE2 GLN A 930 -4.800 6.752 8.199 1.00 0.00 N flip ATOM 0 H GLN A 930 -4.453 2.064 6.557 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.941 2.457 7.848 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.375 4.162 5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.736 4.732 6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -5.521 4.384 8.893 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -4.201 3.604 8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -5.696 6.714 8.685 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -4.326 7.646 8.072 1.00 0.00 H new ATOM 357 N THR A 931 -7.006 2.133 4.568 1.00 0.00 N ATOM 358 CA THR A 931 -7.891 1.901 3.432 1.00 0.00 C ATOM 359 C THR A 931 -8.716 0.633 3.641 1.00 0.00 C ATOM 360 O THR A 931 -9.918 0.614 3.382 1.00 0.00 O ATOM 361 CB THR A 931 -7.093 1.795 2.117 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.217 2.921 1.990 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.027 1.744 0.915 1.00 0.00 C ATOM 0 H THR A 931 -6.012 2.086 4.345 1.00 0.00 H new ATOM 0 HA THR A 931 -8.565 2.755 3.360 1.00 0.00 H new ATOM 0 HB THR A 931 -6.511 0.874 2.145 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.379 2.738 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.439 1.669 0.000 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.680 0.875 0.998 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.631 2.651 0.885 1.00 0.00 H new ATOM 371 N ILE A 932 -8.064 -0.416 4.134 1.00 0.00 N ATOM 372 CA ILE A 932 -8.740 -1.673 4.428 1.00 0.00 C ATOM 373 C ILE A 932 -9.854 -1.460 5.450 1.00 0.00 C ATOM 374 O ILE A 932 -10.987 -1.899 5.249 1.00 0.00 O ATOM 375 CB ILE A 932 -7.747 -2.730 4.964 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.714 -3.078 3.891 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.482 -3.983 5.430 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.623 -4.006 4.374 1.00 0.00 C ATOM 0 H ILE A 932 -7.065 -0.419 4.338 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.171 -2.038 3.496 1.00 0.00 H new ATOM 0 HB ILE A 932 -7.228 -2.307 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.224 -3.540 3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.260 -2.157 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.761 -4.711 5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -9.178 -3.721 6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -9.033 -4.414 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -4.929 -4.207 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -5.087 -3.538 5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -6.066 -4.943 4.713 1.00 0.00 H new ATOM 390 N ALA A 933 -9.526 -0.749 6.525 1.00 0.00 N ATOM 391 CA ALA A 933 -10.469 -0.513 7.613 1.00 0.00 C ATOM 392 C ALA A 933 -11.699 0.259 7.139 1.00 0.00 C ATOM 393 O ALA A 933 -12.782 0.125 7.710 1.00 0.00 O ATOM 394 CB ALA A 933 -9.783 0.233 8.747 1.00 0.00 C ATOM 0 H ALA A 933 -8.609 -0.324 6.666 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.809 -1.484 7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.496 0.404 9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.948 -0.360 9.120 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.413 1.191 8.381 1.00 0.00 H new ATOM 400 N ALA A 934 -11.527 1.061 6.097 1.00 0.00 N ATOM 401 CA ALA A 934 -12.619 1.853 5.553 1.00 0.00 C ATOM 402 C ALA A 934 -13.407 1.068 4.509 1.00 0.00 C ATOM 403 O ALA A 934 -14.638 1.106 4.491 1.00 0.00 O ATOM 404 CB ALA A 934 -12.081 3.141 4.947 1.00 0.00 C ATOM 0 H ALA A 934 -10.638 1.180 5.611 1.00 0.00 H new ATOM 0 HA ALA A 934 -13.297 2.098 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.907 3.726 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.569 3.719 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -11.380 2.902 4.147 1.00 0.00 H new ATOM 410 N ALA A 935 -12.691 0.345 3.657 1.00 0.00 N ATOM 411 CA ALA A 935 -13.303 -0.383 2.550 1.00 0.00 C ATOM 412 C ALA A 935 -14.293 -1.433 3.041 1.00 0.00 C ATOM 413 O ALA A 935 -15.446 -1.469 2.602 1.00 0.00 O ATOM 414 CB ALA A 935 -12.228 -1.031 1.695 1.00 0.00 C ATOM 0 H ALA A 935 -11.677 0.246 3.712 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.859 0.335 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.695 -1.572 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.568 -0.261 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.649 -1.726 2.303 1.00 0.00 H new ATOM 420 N GLN A 936 -13.852 -2.276 3.964 1.00 0.00 N ATOM 421 CA GLN A 936 -14.686 -3.366 4.457 1.00 0.00 C ATOM 422 C GLN A 936 -15.590 -2.907 5.601 1.00 0.00 C ATOM 423 O GLN A 936 -16.284 -3.716 6.216 1.00 0.00 O ATOM 424 CB GLN A 936 -13.819 -4.551 4.900 1.00 0.00 C ATOM 425 CG GLN A 936 -12.821 -4.211 5.996 1.00 0.00 C ATOM 426 CD GLN A 936 -11.892 -5.364 6.323 1.00 0.00 C ATOM 427 OE1 GLN A 936 -11.581 -6.196 5.469 1.00 0.00 O ATOM 428 NE2 GLN A 936 -11.437 -5.419 7.563 1.00 0.00 N ATOM 0 H GLN A 936 -12.925 -2.228 4.386 1.00 0.00 H new ATOM 0 HA GLN A 936 -15.327 -3.689 3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -14.469 -5.353 5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -13.277 -4.935 4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -12.229 -3.350 5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -13.362 -3.920 6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -11.718 -4.711 8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -10.805 -6.170 7.841 1.00 0.00 H new ATOM 437 N HIS A 937 -15.594 -1.605 5.871 1.00 0.00 N ATOM 438 CA HIS A 937 -16.454 -1.048 6.910 1.00 0.00 C ATOM 439 C HIS A 937 -17.888 -0.946 6.399 1.00 0.00 C ATOM 440 O HIS A 937 -18.842 -1.014 7.173 1.00 0.00 O ATOM 441 CB HIS A 937 -15.944 0.334 7.348 1.00 0.00 C ATOM 442 CG HIS A 937 -16.680 0.927 8.519 1.00 0.00 C ATOM 443 ND1 HIS A 937 -17.840 1.624 8.580 1.00 0.00 N flip ATOM 444 CD2 HIS A 937 -16.217 0.852 9.814 1.00 0.00 C flip ATOM 445 CE1 HIS A 937 -18.051 1.952 9.894 1.00 0.00 C flip ATOM 446 NE2 HIS A 937 -17.057 1.476 10.620 1.00 0.00 N flip ATOM 0 H HIS A 937 -15.014 -0.919 5.387 1.00 0.00 H new ATOM 0 HA HIS A 937 -16.433 -1.711 7.775 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -14.887 0.254 7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -16.018 1.019 6.504 1.00 0.00 H new ATOM 0 HD1 HIS A 937 -18.445 1.861 7.793 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -15.307 0.359 10.123 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -18.894 2.510 10.274 1.00 0.00 H new ATOM 614 N LEU A 951 -14.678 -6.012 -4.752 1.00 0.00 N ATOM 615 CA LEU A 951 -13.268 -6.076 -5.117 1.00 0.00 C ATOM 616 C LEU A 951 -12.425 -5.496 -3.985 1.00 0.00 C ATOM 617 O LEU A 951 -11.290 -5.921 -3.757 1.00 0.00 O ATOM 618 CB LEU A 951 -13.041 -5.319 -6.437 1.00 0.00 C ATOM 619 CG LEU A 951 -11.769 -5.674 -7.224 1.00 0.00 C ATOM 620 CD1 LEU A 951 -10.541 -5.001 -6.634 1.00 0.00 C ATOM 621 CD2 LEU A 951 -11.574 -7.183 -7.274 1.00 0.00 C ATOM 0 HA LEU A 951 -12.966 -7.112 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -13.901 -5.495 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -13.019 -4.251 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 951 -11.897 -5.302 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -9.661 -5.275 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -10.671 -3.919 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -10.409 -5.326 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -10.669 -7.414 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -11.482 -7.572 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -12.432 -7.645 -7.763 1.00 0.00 H new ATOM 633 N LEU A 952 -13.006 -4.531 -3.272 1.00 0.00 N ATOM 634 CA LEU A 952 -12.394 -3.976 -2.068 1.00 0.00 C ATOM 635 C LEU A 952 -11.969 -5.079 -1.108 1.00 0.00 C ATOM 636 O LEU A 952 -10.783 -5.273 -0.876 1.00 0.00 O ATOM 637 CB LEU A 952 -13.367 -3.035 -1.353 1.00 0.00 C ATOM 638 CG LEU A 952 -13.592 -1.685 -2.028 1.00 0.00 C ATOM 639 CD1 LEU A 952 -14.636 -0.882 -1.269 1.00 0.00 C ATOM 640 CD2 LEU A 952 -12.284 -0.917 -2.110 1.00 0.00 C ATOM 0 H LEU A 952 -13.906 -4.116 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 952 -11.511 -3.418 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.329 -3.539 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -12.998 -2.859 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 952 -13.959 -1.855 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -14.786 0.078 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -15.577 -1.432 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -14.295 -0.716 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -12.456 0.045 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -11.895 -0.753 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -11.561 -1.490 -2.690 1.00 0.00 H new ATOM 652 N VAL A 953 -12.945 -5.817 -0.586 1.00 0.00 N ATOM 653 CA VAL A 953 -12.691 -6.831 0.437 1.00 0.00 C ATOM 654 C VAL A 953 -11.743 -7.918 -0.071 1.00 0.00 C ATOM 655 O VAL A 953 -10.895 -8.413 0.675 1.00 0.00 O ATOM 656 CB VAL A 953 -14.009 -7.475 0.926 1.00 0.00 C ATOM 657 CG1 VAL A 953 -13.741 -8.558 1.963 1.00 0.00 C ATOM 658 CG2 VAL A 953 -14.936 -6.412 1.497 1.00 0.00 C ATOM 0 H VAL A 953 -13.925 -5.732 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.215 -6.322 1.275 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.494 -7.943 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -14.686 -8.992 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.116 -9.336 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.228 -8.122 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -15.860 -6.880 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -14.449 -5.918 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.164 -5.676 0.726 1.00 0.00 H new ATOM 668 N GLN A 954 -11.878 -8.272 -1.343 1.00 0.00 N ATOM 669 CA GLN A 954 -11.004 -9.269 -1.950 1.00 0.00 C ATOM 670 C GLN A 954 -9.558 -8.780 -1.958 1.00 0.00 C ATOM 671 O GLN A 954 -8.623 -9.547 -1.717 1.00 0.00 O ATOM 672 CB GLN A 954 -11.466 -9.590 -3.374 1.00 0.00 C ATOM 673 CG GLN A 954 -12.863 -10.185 -3.435 1.00 0.00 C ATOM 674 CD GLN A 954 -12.993 -11.448 -2.606 1.00 0.00 C ATOM 675 OE1 GLN A 954 -13.328 -11.401 -1.423 1.00 0.00 O ATOM 676 NE2 GLN A 954 -12.729 -12.588 -3.221 1.00 0.00 N ATOM 0 H GLN A 954 -12.581 -7.886 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 954 -11.057 -10.180 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -11.441 -8.678 -3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -10.762 -10.287 -3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -13.584 -9.447 -3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -13.115 -10.407 -4.472 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -12.454 -12.586 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -12.800 -13.470 -2.713 1.00 0.00 H new ATOM 685 N SER A 955 -9.381 -7.493 -2.211 1.00 0.00 N ATOM 686 CA SER A 955 -8.055 -6.905 -2.218 1.00 0.00 C ATOM 687 C SER A 955 -7.595 -6.594 -0.797 1.00 0.00 C ATOM 688 O SER A 955 -6.411 -6.686 -0.496 1.00 0.00 O ATOM 689 CB SER A 955 -8.046 -5.645 -3.079 1.00 0.00 C ATOM 690 OG SER A 955 -8.490 -5.939 -4.392 1.00 0.00 O ATOM 0 H SER A 955 -10.137 -6.839 -2.413 1.00 0.00 H new ATOM 0 HA SER A 955 -7.356 -7.624 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 955 -8.690 -4.887 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 955 -7.039 -5.228 -3.114 1.00 0.00 H new ATOM 0 HG SER A 955 -8.331 -5.165 -4.972 1.00 0.00 H new ATOM 696 N CYS A 956 -8.537 -6.245 0.073 1.00 0.00 N ATOM 697 CA CYS A 956 -8.232 -5.954 1.472 1.00 0.00 C ATOM 698 C CYS A 956 -7.517 -7.125 2.135 1.00 0.00 C ATOM 699 O CYS A 956 -6.502 -6.938 2.800 1.00 0.00 O ATOM 700 CB CYS A 956 -9.510 -5.623 2.246 1.00 0.00 C ATOM 701 SG CYS A 956 -10.257 -4.037 1.801 1.00 0.00 S ATOM 0 H CYS A 956 -9.524 -6.156 -0.167 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.570 -5.088 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -10.239 -6.415 2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -9.285 -5.619 3.312 1.00 0.00 H new ATOM 0 HG CYS A 956 -9.332 -3.223 1.385 1.00 0.00 H new ATOM 707 N LYS A 957 -8.040 -8.331 1.940 1.00 0.00 N ATOM 708 CA LYS A 957 -7.433 -9.517 2.534 1.00 0.00 C ATOM 709 C LYS A 957 -6.056 -9.775 1.921 1.00 0.00 C ATOM 710 O LYS A 957 -5.128 -10.204 2.608 1.00 0.00 O ATOM 711 CB LYS A 957 -8.347 -10.739 2.366 1.00 0.00 C ATOM 712 CG LYS A 957 -8.610 -11.126 0.917 1.00 0.00 C ATOM 713 CD LYS A 957 -9.545 -12.321 0.812 1.00 0.00 C ATOM 714 CE LYS A 957 -10.956 -11.977 1.263 1.00 0.00 C ATOM 715 NZ LYS A 957 -11.856 -13.159 1.219 1.00 0.00 N ATOM 0 H LYS A 957 -8.874 -8.513 1.381 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.304 -9.340 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -7.898 -11.588 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -9.300 -10.536 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.044 -10.278 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -7.665 -11.359 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -9.569 -12.674 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -9.159 -13.139 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -10.926 -11.581 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -11.359 -11.190 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -12.808 -12.882 1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -11.905 -13.522 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -11.486 -13.901 1.847 1.00 0.00 H new ATOM 729 N ALA A 958 -5.921 -9.487 0.630 1.00 0.00 N ATOM 730 CA ALA A 958 -4.646 -9.638 -0.054 1.00 0.00 C ATOM 731 C ALA A 958 -3.633 -8.629 0.478 1.00 0.00 C ATOM 732 O ALA A 958 -2.534 -8.993 0.898 1.00 0.00 O ATOM 733 CB ALA A 958 -4.832 -9.473 -1.554 1.00 0.00 C ATOM 0 H ALA A 958 -6.680 -9.148 0.039 1.00 0.00 H new ATOM 0 HA ALA A 958 -4.262 -10.640 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -3.871 -9.588 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.525 -10.231 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.234 -8.482 -1.764 1.00 0.00 H new ATOM 739 N VAL A 959 -4.034 -7.363 0.483 1.00 0.00 N ATOM 740 CA VAL A 959 -3.191 -6.273 0.956 1.00 0.00 C ATOM 741 C VAL A 959 -2.797 -6.472 2.418 1.00 0.00 C ATOM 742 O VAL A 959 -1.645 -6.257 2.789 1.00 0.00 O ATOM 743 CB VAL A 959 -3.906 -4.910 0.790 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.108 -3.787 1.429 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.150 -4.611 -0.683 1.00 0.00 C ATOM 0 H VAL A 959 -4.954 -7.064 0.159 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.286 -6.275 0.348 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.867 -4.974 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.637 -2.843 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -2.986 -3.987 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.127 -3.724 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.653 -3.649 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.197 -4.577 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -4.775 -5.393 -1.114 1.00 0.00 H new ATOM 755 N ALA A 960 -3.750 -6.916 3.234 1.00 0.00 N ATOM 756 CA ALA A 960 -3.523 -7.106 4.666 1.00 0.00 C ATOM 757 C ALA A 960 -2.346 -8.037 4.940 1.00 0.00 C ATOM 758 O ALA A 960 -1.622 -7.854 5.917 1.00 0.00 O ATOM 759 CB ALA A 960 -4.777 -7.643 5.335 1.00 0.00 C ATOM 0 H ALA A 960 -4.693 -7.153 2.926 1.00 0.00 H new ATOM 0 HA ALA A 960 -3.278 -6.131 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.591 -7.779 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.595 -6.936 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -5.046 -8.600 4.889 1.00 0.00 H new ATOM 765 N GLU A 961 -2.151 -9.027 4.076 1.00 0.00 N ATOM 766 CA GLU A 961 -1.070 -9.989 4.254 1.00 0.00 C ATOM 767 C GLU A 961 0.232 -9.487 3.633 1.00 0.00 C ATOM 768 O GLU A 961 1.305 -10.021 3.908 1.00 0.00 O ATOM 769 CB GLU A 961 -1.456 -11.340 3.649 1.00 0.00 C ATOM 770 CG GLU A 961 -2.582 -12.038 4.393 1.00 0.00 C ATOM 771 CD GLU A 961 -2.225 -12.339 5.836 1.00 0.00 C ATOM 772 OE1 GLU A 961 -1.477 -13.311 6.077 1.00 0.00 O ATOM 773 OE2 GLU A 961 -2.691 -11.607 6.736 1.00 0.00 O ATOM 0 H GLU A 961 -2.725 -9.184 3.248 1.00 0.00 H new ATOM 0 HA GLU A 961 -0.906 -10.111 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.754 -11.192 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.580 -11.989 3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -3.474 -11.412 4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -2.829 -12.968 3.882 1.00 0.00 H new ATOM 780 N GLN A 962 0.135 -8.457 2.803 1.00 0.00 N ATOM 781 CA GLN A 962 1.313 -7.889 2.152 1.00 0.00 C ATOM 782 C GLN A 962 1.906 -6.768 3.003 1.00 0.00 C ATOM 783 O GLN A 962 3.099 -6.480 2.923 1.00 0.00 O ATOM 784 CB GLN A 962 0.961 -7.356 0.761 1.00 0.00 C ATOM 785 CG GLN A 962 0.388 -8.404 -0.181 1.00 0.00 C ATOM 786 CD GLN A 962 1.336 -9.561 -0.429 1.00 0.00 C ATOM 787 OE1 GLN A 962 2.155 -9.526 -1.348 1.00 0.00 O ATOM 788 NE2 GLN A 962 1.213 -10.602 0.374 1.00 0.00 N ATOM 0 H GLN A 962 -0.743 -7.997 2.564 1.00 0.00 H new ATOM 0 HA GLN A 962 2.054 -8.681 2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.240 -6.545 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 962 1.857 -6.929 0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.543 -8.788 0.235 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.142 -7.933 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 962 0.521 -10.589 1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 962 1.810 -11.419 0.245 1.00 0.00 H new ATOM 797 N ILE A 963 1.057 -6.145 3.820 1.00 0.00 N ATOM 798 CA ILE A 963 1.481 -5.067 4.719 1.00 0.00 C ATOM 799 C ILE A 963 2.668 -5.484 5.605 1.00 0.00 C ATOM 800 O ILE A 963 3.688 -4.792 5.628 1.00 0.00 O ATOM 801 CB ILE A 963 0.311 -4.584 5.612 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.809 -4.000 4.749 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.794 -3.554 6.627 1.00 0.00 C ATOM 804 CD1 ILE A 963 -2.048 -3.624 5.531 1.00 0.00 C ATOM 0 H ILE A 963 0.064 -6.369 3.879 1.00 0.00 H new ATOM 0 HA ILE A 963 1.804 -4.245 4.081 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.080 -5.442 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.434 -3.116 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -1.081 -4.726 3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -0.045 -3.229 7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.559 -4.000 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.213 -2.695 6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.797 -3.217 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.449 -4.509 6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.792 -2.874 6.280 1.00 0.00 H new ATOM 816 N PRO A 964 2.566 -6.615 6.346 1.00 0.00 N ATOM 817 CA PRO A 964 3.666 -7.094 7.191 1.00 0.00 C ATOM 818 C PRO A 964 4.947 -7.324 6.396 1.00 0.00 C ATOM 819 O PRO A 964 6.044 -7.089 6.898 1.00 0.00 O ATOM 820 CB PRO A 964 3.145 -8.421 7.755 1.00 0.00 C ATOM 821 CG PRO A 964 1.666 -8.311 7.669 1.00 0.00 C ATOM 822 CD PRO A 964 1.390 -7.499 6.440 1.00 0.00 C ATOM 0 HA PRO A 964 3.929 -6.367 7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.514 -9.269 7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 964 3.472 -8.570 8.784 1.00 0.00 H new ATOM 0 HG2 PRO A 964 1.204 -9.296 7.600 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.257 -7.829 8.557 1.00 0.00 H new ATOM 0 HD2 PRO A 964 1.289 -8.129 5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.465 -6.930 6.533 1.00 0.00 H new ATOM 830 N LEU A 965 4.798 -7.763 5.151 1.00 0.00 N ATOM 831 CA LEU A 965 5.941 -8.018 4.281 1.00 0.00 C ATOM 832 C LEU A 965 6.697 -6.733 3.991 1.00 0.00 C ATOM 833 O LEU A 965 7.930 -6.716 3.992 1.00 0.00 O ATOM 834 CB LEU A 965 5.488 -8.658 2.972 1.00 0.00 C ATOM 835 CG LEU A 965 4.865 -10.041 3.118 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.446 -10.574 1.760 1.00 0.00 C ATOM 837 CD2 LEU A 965 5.843 -10.988 3.794 1.00 0.00 C ATOM 0 H LEU A 965 3.893 -7.950 4.720 1.00 0.00 H new ATOM 0 HA LEU A 965 6.608 -8.707 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.765 -7.998 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.346 -8.730 2.303 1.00 0.00 H new ATOM 0 HG LEU A 965 3.976 -9.965 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 965 4.002 -11.563 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.715 -9.899 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 965 5.319 -10.643 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.387 -11.973 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.748 -11.066 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 965 6.096 -10.605 4.782 1.00 0.00 H new ATOM 849 N LEU A 966 5.952 -5.661 3.739 1.00 0.00 N ATOM 850 CA LEU A 966 6.550 -4.350 3.535 1.00 0.00 C ATOM 851 C LEU A 966 7.396 -3.979 4.736 1.00 0.00 C ATOM 852 O LEU A 966 8.590 -3.736 4.613 1.00 0.00 O ATOM 853 CB LEU A 966 5.478 -3.278 3.345 1.00 0.00 C ATOM 854 CG LEU A 966 4.611 -3.409 2.101 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.581 -2.295 2.082 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.469 -3.372 0.842 1.00 0.00 C ATOM 0 H LEU A 966 4.934 -5.676 3.672 1.00 0.00 H new ATOM 0 HA LEU A 966 7.166 -4.401 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.827 -3.286 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 966 5.967 -2.304 3.321 1.00 0.00 H new ATOM 0 HG LEU A 966 4.095 -4.369 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 966 2.960 -2.389 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 966 2.954 -2.364 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.088 -1.330 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 966 4.831 -3.467 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 966 6.009 -2.426 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.182 -4.196 0.863 1.00 0.00 H new ATOM 868 N VAL A 967 6.761 -3.976 5.899 1.00 0.00 N ATOM 869 CA VAL A 967 7.412 -3.573 7.135 1.00 0.00 C ATOM 870 C VAL A 967 8.585 -4.493 7.468 1.00 0.00 C ATOM 871 O VAL A 967 9.613 -4.040 7.966 1.00 0.00 O ATOM 872 CB VAL A 967 6.403 -3.548 8.301 1.00 0.00 C ATOM 873 CG1 VAL A 967 7.056 -3.034 9.576 1.00 0.00 C ATOM 874 CG2 VAL A 967 5.199 -2.694 7.927 1.00 0.00 C ATOM 0 H VAL A 967 5.785 -4.251 6.012 1.00 0.00 H new ATOM 0 HA VAL A 967 7.802 -2.565 6.990 1.00 0.00 H new ATOM 0 HB VAL A 967 6.065 -4.567 8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.323 -3.026 10.383 1.00 0.00 H new ATOM 0 HG12 VAL A 967 7.887 -3.685 9.847 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.426 -2.022 9.413 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.491 -2.681 8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.527 -1.677 7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.717 -3.112 7.044 1.00 0.00 H new ATOM 884 N GLN A 968 8.438 -5.781 7.170 1.00 0.00 N ATOM 885 CA GLN A 968 9.527 -6.737 7.345 1.00 0.00 C ATOM 886 C GLN A 968 10.704 -6.344 6.458 1.00 0.00 C ATOM 887 O GLN A 968 11.856 -6.337 6.898 1.00 0.00 O ATOM 888 CB GLN A 968 9.049 -8.155 7.009 1.00 0.00 C ATOM 889 CG GLN A 968 10.121 -9.236 7.107 1.00 0.00 C ATOM 890 CD GLN A 968 10.680 -9.421 8.510 1.00 0.00 C ATOM 891 OE1 GLN A 968 10.792 -8.473 9.292 1.00 0.00 O ATOM 892 NE2 GLN A 968 11.020 -10.653 8.845 1.00 0.00 N ATOM 0 H GLN A 968 7.576 -6.187 6.806 1.00 0.00 H new ATOM 0 HA GLN A 968 9.850 -6.723 8.386 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.230 -8.415 7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 968 8.645 -8.156 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 968 9.702 -10.182 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 968 10.938 -8.987 6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 968 10.914 -11.412 8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 968 11.389 -10.845 9.776 1.00 0.00 H new ATOM 901 N GLY A 969 10.397 -5.997 5.213 1.00 0.00 N ATOM 902 CA GLY A 969 11.415 -5.514 4.302 1.00 0.00 C ATOM 903 C GLY A 969 12.022 -4.209 4.779 1.00 0.00 C ATOM 904 O GLY A 969 13.239 -4.033 4.741 1.00 0.00 O ATOM 0 H GLY A 969 9.458 -6.042 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 969 12.199 -6.265 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 969 10.980 -5.373 3.312 1.00 0.00 H new ATOM 908 N VAL A 970 11.164 -3.301 5.239 1.00 0.00 N ATOM 909 CA VAL A 970 11.600 -2.017 5.776 1.00 0.00 C ATOM 910 C VAL A 970 12.590 -2.220 6.917 1.00 0.00 C ATOM 911 O VAL A 970 13.705 -1.707 6.879 1.00 0.00 O ATOM 912 CB VAL A 970 10.415 -1.174 6.299 1.00 0.00 C ATOM 913 CG1 VAL A 970 10.907 0.145 6.861 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.389 -0.922 5.207 1.00 0.00 C ATOM 0 H VAL A 970 10.153 -3.435 5.250 1.00 0.00 H new ATOM 0 HA VAL A 970 12.076 -1.482 4.954 1.00 0.00 H new ATOM 0 HB VAL A 970 9.933 -1.742 7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.059 0.725 7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.596 -0.045 7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.421 0.705 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.569 -0.326 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.859 -0.384 4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 970 9.002 -1.874 4.845 1.00 0.00 H new ATOM 924 N ARG A 971 12.179 -2.988 7.921 1.00 0.00 N ATOM 925 CA ARG A 971 13.015 -3.234 9.091 1.00 0.00 C ATOM 926 C ARG A 971 14.312 -3.931 8.696 1.00 0.00 C ATOM 927 O ARG A 971 15.362 -3.692 9.298 1.00 0.00 O ATOM 928 CB ARG A 971 12.265 -4.075 10.125 1.00 0.00 C ATOM 929 CG ARG A 971 11.010 -3.410 10.663 1.00 0.00 C ATOM 930 CD ARG A 971 10.321 -4.280 11.702 1.00 0.00 C ATOM 931 NE ARG A 971 10.084 -5.638 11.211 1.00 0.00 N ATOM 932 CZ ARG A 971 8.907 -6.260 11.276 1.00 0.00 C ATOM 933 NH1 ARG A 971 7.851 -5.641 11.790 1.00 0.00 N ATOM 934 NH2 ARG A 971 8.789 -7.499 10.820 1.00 0.00 N ATOM 0 H ARG A 971 11.271 -3.451 7.948 1.00 0.00 H new ATOM 0 HA ARG A 971 13.260 -2.269 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.994 -5.030 9.675 1.00 0.00 H new ATOM 0 HB3 ARG A 971 12.935 -4.293 10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 971 11.268 -2.448 11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 971 10.323 -3.209 9.841 1.00 0.00 H new ATOM 0 HD2 ARG A 971 10.933 -4.322 12.603 1.00 0.00 H new ATOM 0 HD3 ARG A 971 9.371 -3.825 11.983 1.00 0.00 H new ATOM 0 HE ARG A 971 10.868 -6.139 10.793 1.00 0.00 H new ATOM 0 HH11 ARG A 971 7.939 -4.686 12.137 1.00 0.00 H new ATOM 0 HH12 ARG A 971 6.952 -6.121 11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 971 9.598 -7.975 10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 971 7.889 -7.977 10.869 1.00 0.00 H new ATOM 948 N GLY A 972 14.233 -4.788 7.686 1.00 0.00 N ATOM 949 CA GLY A 972 15.421 -5.437 7.169 1.00 0.00 C ATOM 950 C GLY A 972 16.372 -4.441 6.537 1.00 0.00 C ATOM 951 O GLY A 972 17.581 -4.509 6.745 1.00 0.00 O ATOM 0 H GLY A 972 13.365 -5.045 7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.929 -5.964 7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 972 15.135 -6.186 6.431 1.00 0.00 H new ATOM 955 N SER A 973 15.815 -3.502 5.781 1.00 0.00 N ATOM 956 CA SER A 973 16.604 -2.466 5.128 1.00 0.00 C ATOM 957 C SER A 973 17.206 -1.514 6.160 1.00 0.00 C ATOM 958 O SER A 973 18.331 -1.045 6.000 1.00 0.00 O ATOM 959 CB SER A 973 15.733 -1.689 4.135 1.00 0.00 C ATOM 960 OG SER A 973 16.496 -0.751 3.397 1.00 0.00 O ATOM 0 H SER A 973 14.812 -3.438 5.605 1.00 0.00 H new ATOM 0 HA SER A 973 17.420 -2.944 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.250 -2.386 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 973 14.940 -1.171 4.674 1.00 0.00 H new ATOM 0 HG SER A 973 16.257 0.157 3.676 1.00 0.00 H new ATOM 966 N GLN A 974 16.451 -1.235 7.219 1.00 0.00 N ATOM 967 CA GLN A 974 16.939 -0.384 8.300 1.00 0.00 C ATOM 968 C GLN A 974 18.165 -1.008 8.951 1.00 0.00 C ATOM 969 O GLN A 974 19.131 -0.319 9.290 1.00 0.00 O ATOM 970 CB GLN A 974 15.856 -0.173 9.361 1.00 0.00 C ATOM 971 CG GLN A 974 14.589 0.482 8.839 1.00 0.00 C ATOM 972 CD GLN A 974 13.584 0.768 9.937 1.00 0.00 C ATOM 973 OE1 GLN A 974 12.798 1.710 9.847 1.00 0.00 O ATOM 974 NE2 GLN A 974 13.601 -0.039 10.988 1.00 0.00 N ATOM 0 H GLN A 974 15.502 -1.584 7.352 1.00 0.00 H new ATOM 0 HA GLN A 974 17.206 0.582 7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 974 15.599 -1.138 9.798 1.00 0.00 H new ATOM 0 HB3 GLN A 974 16.265 0.441 10.163 1.00 0.00 H new ATOM 0 HG2 GLN A 974 14.847 1.414 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 974 14.131 -0.166 8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 974 14.267 -0.810 11.028 1.00 0.00 H new ATOM 0 HE22 GLN A 974 12.948 0.111 11.757 1.00 0.00 H new ATOM 983 N ALA A 975 18.118 -2.320 9.124 1.00 0.00 N ATOM 984 CA ALA A 975 19.207 -3.047 9.751 1.00 0.00 C ATOM 985 C ALA A 975 20.362 -3.238 8.779 1.00 0.00 C ATOM 986 O ALA A 975 21.517 -2.984 9.116 1.00 0.00 O ATOM 987 CB ALA A 975 18.716 -4.389 10.268 1.00 0.00 C ATOM 0 H ALA A 975 17.333 -2.904 8.837 1.00 0.00 H new ATOM 0 HA ALA A 975 19.570 -2.460 10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 975 19.543 -4.923 10.736 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.926 -4.229 11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 975 18.326 -4.978 9.438 1.00 0.00 H new ATOM 993 N GLN A 976 20.048 -3.673 7.567 1.00 0.00 N ATOM 994 CA GLN A 976 21.069 -3.964 6.570 1.00 0.00 C ATOM 995 C GLN A 976 20.765 -3.277 5.240 1.00 0.00 C ATOM 996 O GLN A 976 20.219 -3.894 4.325 1.00 0.00 O ATOM 997 CB GLN A 976 21.178 -5.475 6.360 1.00 0.00 C ATOM 998 CG GLN A 976 21.659 -6.235 7.584 1.00 0.00 C ATOM 999 CD GLN A 976 23.122 -5.982 7.889 1.00 0.00 C ATOM 1000 OE1 GLN A 976 23.996 -6.698 7.404 1.00 0.00 O ATOM 1001 NE2 GLN A 976 23.399 -4.965 8.689 1.00 0.00 N ATOM 0 H GLN A 976 19.092 -3.833 7.250 1.00 0.00 H new ATOM 0 HA GLN A 976 22.018 -3.576 6.940 1.00 0.00 H new ATOM 0 HB2 GLN A 976 20.203 -5.862 6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 976 21.861 -5.668 5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 976 21.057 -5.947 8.446 1.00 0.00 H new ATOM 0 HG3 GLN A 976 21.503 -7.303 7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 976 22.643 -4.396 9.070 1.00 0.00 H new ATOM 0 HE22 GLN A 976 24.368 -4.750 8.924 1.00 0.00 H new ATOM 1010 N PRO A 977 21.107 -1.983 5.116 1.00 0.00 N ATOM 1011 CA PRO A 977 20.916 -1.229 3.873 1.00 0.00 C ATOM 1012 C PRO A 977 21.903 -1.663 2.794 1.00 0.00 C ATOM 1013 O PRO A 977 21.704 -1.412 1.605 1.00 0.00 O ATOM 1014 CB PRO A 977 21.182 0.231 4.277 1.00 0.00 C ATOM 1015 CG PRO A 977 21.251 0.235 5.769 1.00 0.00 C ATOM 1016 CD PRO A 977 21.680 -1.144 6.174 1.00 0.00 C ATOM 0 HA PRO A 977 19.923 -1.386 3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 977 22.113 0.594 3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 977 20.387 0.886 3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 977 21.960 0.983 6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 977 20.282 0.484 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 977 22.765 -1.234 6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 977 21.297 -1.415 7.158 1.00 0.00 H new ATOM 1024 N ASP A 978 22.969 -2.327 3.224 1.00 0.00 N ATOM 1025 CA ASP A 978 24.012 -2.786 2.315 1.00 0.00 C ATOM 1026 C ASP A 978 23.906 -4.287 2.089 1.00 0.00 C ATOM 1027 O ASP A 978 24.882 -4.940 1.721 1.00 0.00 O ATOM 1028 CB ASP A 978 25.396 -2.447 2.871 1.00 0.00 C ATOM 1029 CG ASP A 978 25.621 -0.957 3.006 1.00 0.00 C ATOM 1030 OD1 ASP A 978 26.043 -0.322 2.015 1.00 0.00 O ATOM 1031 OD2 ASP A 978 25.380 -0.413 4.099 1.00 0.00 O ATOM 0 H ASP A 978 23.134 -2.561 4.203 1.00 0.00 H new ATOM 0 HA ASP A 978 23.876 -2.275 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 978 25.517 -2.919 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 978 26.159 -2.868 2.217 1.00 0.00 H new ATOM 1036 N SER A 979 22.722 -4.831 2.311 1.00 0.00 N ATOM 1037 CA SER A 979 22.489 -6.249 2.097 1.00 0.00 C ATOM 1038 C SER A 979 21.545 -6.461 0.925 1.00 0.00 C ATOM 1039 O SER A 979 20.376 -6.072 0.981 1.00 0.00 O ATOM 1040 CB SER A 979 21.909 -6.896 3.354 1.00 0.00 C ATOM 1041 OG SER A 979 21.558 -8.251 3.116 1.00 0.00 O ATOM 0 H SER A 979 21.907 -4.313 2.639 1.00 0.00 H new ATOM 0 HA SER A 979 23.446 -6.719 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 979 22.637 -6.843 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 979 21.029 -6.341 3.680 1.00 0.00 H new ATOM 0 HG SER A 979 21.191 -8.643 3.936 1.00 0.00 H new ATOM 1047 N PRO A 980 22.037 -7.090 -0.154 1.00 0.00 N ATOM 1048 CA PRO A 980 21.222 -7.391 -1.333 1.00 0.00 C ATOM 1049 C PRO A 980 20.041 -8.291 -0.986 1.00 0.00 C ATOM 1050 O PRO A 980 19.008 -8.266 -1.653 1.00 0.00 O ATOM 1051 CB PRO A 980 22.189 -8.113 -2.280 1.00 0.00 C ATOM 1052 CG PRO A 980 23.323 -8.559 -1.418 1.00 0.00 C ATOM 1053 CD PRO A 980 23.425 -7.550 -0.312 1.00 0.00 C ATOM 0 HA PRO A 980 20.788 -6.491 -1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 980 21.706 -8.961 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 980 22.534 -7.448 -3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 980 23.141 -9.557 -1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 980 24.251 -8.608 -1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 980 23.810 -7.995 0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.094 -6.731 -0.574 1.00 0.00 H new ATOM 1061 N SER A 981 20.193 -9.076 0.072 1.00 0.00 N ATOM 1062 CA SER A 981 19.132 -9.954 0.530 1.00 0.00 C ATOM 1063 C SER A 981 17.951 -9.133 1.039 1.00 0.00 C ATOM 1064 O SER A 981 16.802 -9.386 0.670 1.00 0.00 O ATOM 1065 CB SER A 981 19.659 -10.868 1.634 1.00 0.00 C ATOM 1066 OG SER A 981 20.860 -11.500 1.224 1.00 0.00 O ATOM 0 H SER A 981 21.046 -9.120 0.629 1.00 0.00 H new ATOM 0 HA SER A 981 18.792 -10.567 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 981 19.837 -10.289 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 981 18.910 -11.621 1.879 1.00 0.00 H new ATOM 0 HG SER A 981 21.186 -12.081 1.943 1.00 0.00 H new ATOM 1072 N ALA A 982 18.246 -8.132 1.862 1.00 0.00 N ATOM 1073 CA ALA A 982 17.216 -7.261 2.408 1.00 0.00 C ATOM 1074 C ALA A 982 16.687 -6.319 1.334 1.00 0.00 C ATOM 1075 O ALA A 982 15.487 -6.047 1.268 1.00 0.00 O ATOM 1076 CB ALA A 982 17.762 -6.471 3.588 1.00 0.00 C ATOM 0 H ALA A 982 19.193 -7.905 2.165 1.00 0.00 H new ATOM 0 HA ALA A 982 16.390 -7.880 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 982 16.980 -5.824 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 982 18.093 -7.160 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 982 18.604 -5.862 3.260 1.00 0.00 H new ATOM 1082 N GLN A 983 17.597 -5.835 0.491 1.00 0.00 N ATOM 1083 CA GLN A 983 17.237 -4.956 -0.617 1.00 0.00 C ATOM 1084 C GLN A 983 16.214 -5.617 -1.533 1.00 0.00 C ATOM 1085 O GLN A 983 15.097 -5.127 -1.675 1.00 0.00 O ATOM 1086 CB GLN A 983 18.483 -4.562 -1.416 1.00 0.00 C ATOM 1087 CG GLN A 983 19.380 -3.574 -0.690 1.00 0.00 C ATOM 1088 CD GLN A 983 20.691 -3.327 -1.406 1.00 0.00 C ATOM 1089 OE1 GLN A 983 21.679 -4.030 -1.188 1.00 0.00 O ATOM 1090 NE2 GLN A 983 20.709 -2.326 -2.265 1.00 0.00 N ATOM 0 H GLN A 983 18.594 -6.039 0.556 1.00 0.00 H new ATOM 0 HA GLN A 983 16.788 -4.056 -0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 983 19.056 -5.460 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 983 18.173 -4.129 -2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 983 18.851 -2.628 -0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 983 19.585 -3.948 0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 983 19.868 -1.768 -2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 983 21.564 -2.110 -2.778 1.00 0.00 H new ATOM 1099 N LEU A 984 16.589 -6.746 -2.129 1.00 0.00 N ATOM 1100 CA LEU A 984 15.714 -7.440 -3.073 1.00 0.00 C ATOM 1101 C LEU A 984 14.417 -7.884 -2.403 1.00 0.00 C ATOM 1102 O LEU A 984 13.368 -7.915 -3.043 1.00 0.00 O ATOM 1103 CB LEU A 984 16.422 -8.648 -3.701 1.00 0.00 C ATOM 1104 CG LEU A 984 17.295 -8.345 -4.926 1.00 0.00 C ATOM 1105 CD1 LEU A 984 16.470 -7.690 -6.024 1.00 0.00 C ATOM 1106 CD2 LEU A 984 18.480 -7.464 -4.556 1.00 0.00 C ATOM 0 H LEU A 984 17.490 -7.200 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 984 15.468 -6.732 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 984 17.046 -9.116 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 984 15.667 -9.380 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 984 17.683 -9.293 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 984 17.107 -7.483 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 984 15.664 -8.360 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 984 16.047 -6.756 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 984 19.079 -7.267 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 984 18.118 -6.521 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 984 19.092 -7.972 -3.811 1.00 0.00 H new ATOM 1118 N ALA A 985 14.487 -8.209 -1.116 1.00 0.00 N ATOM 1119 CA ALA A 985 13.297 -8.585 -0.360 1.00 0.00 C ATOM 1120 C ALA A 985 12.297 -7.437 -0.333 1.00 0.00 C ATOM 1121 O ALA A 985 11.119 -7.618 -0.642 1.00 0.00 O ATOM 1122 CB ALA A 985 13.668 -8.991 1.057 1.00 0.00 C ATOM 0 H ALA A 985 15.352 -8.220 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 985 12.835 -9.439 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 985 12.767 -9.268 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.349 -9.842 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.155 -8.155 1.559 1.00 0.00 H new ATOM 1128 N LEU A 986 12.782 -6.250 0.023 1.00 0.00 N ATOM 1129 CA LEU A 986 11.945 -5.058 0.072 1.00 0.00 C ATOM 1130 C LEU A 986 11.438 -4.722 -1.330 1.00 0.00 C ATOM 1131 O LEU A 986 10.251 -4.469 -1.527 1.00 0.00 O ATOM 1132 CB LEU A 986 12.743 -3.878 0.647 1.00 0.00 C ATOM 1133 CG LEU A 986 11.949 -2.882 1.507 1.00 0.00 C ATOM 1134 CD1 LEU A 986 12.876 -1.807 2.054 1.00 0.00 C ATOM 1135 CD2 LEU A 986 10.817 -2.241 0.722 1.00 0.00 C ATOM 0 H LEU A 986 13.755 -6.090 0.283 1.00 0.00 H new ATOM 0 HA LEU A 986 11.089 -5.249 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 986 13.560 -4.277 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 986 13.195 -3.332 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 986 11.509 -3.437 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 986 12.303 -1.107 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 986 13.649 -2.271 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.341 -1.272 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 986 10.279 -1.543 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.226 -1.705 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.133 -3.014 0.373 1.00 0.00 H new ATOM 1147 N ILE A 987 12.346 -4.749 -2.300 1.00 0.00 N ATOM 1148 CA ILE A 987 12.012 -4.436 -3.688 1.00 0.00 C ATOM 1149 C ILE A 987 10.929 -5.379 -4.220 1.00 0.00 C ATOM 1150 O ILE A 987 9.962 -4.937 -4.849 1.00 0.00 O ATOM 1151 CB ILE A 987 13.262 -4.518 -4.594 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.337 -3.544 -4.098 1.00 0.00 C ATOM 1153 CG2 ILE A 987 12.900 -4.214 -6.041 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.684 -3.722 -4.766 1.00 0.00 C ATOM 0 H ILE A 987 13.327 -4.986 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 987 11.631 -3.415 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 987 13.656 -5.533 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 987 13.993 -2.523 -4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.457 -3.669 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 987 13.794 -4.277 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.164 -4.937 -6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.482 -3.209 -6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.390 -2.997 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.053 -4.730 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.581 -3.567 -5.840 1.00 0.00 H new ATOM 1166 N ALA A 988 11.087 -6.670 -3.958 1.00 0.00 N ATOM 1167 CA ALA A 988 10.112 -7.663 -4.393 1.00 0.00 C ATOM 1168 C ALA A 988 8.787 -7.481 -3.660 1.00 0.00 C ATOM 1169 O ALA A 988 7.722 -7.499 -4.276 1.00 0.00 O ATOM 1170 CB ALA A 988 10.647 -9.071 -4.181 1.00 0.00 C ATOM 0 H ALA A 988 11.881 -7.055 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 988 9.936 -7.518 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 988 9.904 -9.796 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 988 11.564 -9.202 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 988 10.858 -9.225 -3.123 1.00 0.00 H new ATOM 1176 N ALA A 989 8.862 -7.289 -2.345 1.00 0.00 N ATOM 1177 CA ALA A 989 7.670 -7.101 -1.524 1.00 0.00 C ATOM 1178 C ALA A 989 6.888 -5.872 -1.970 1.00 0.00 C ATOM 1179 O ALA A 989 5.660 -5.894 -2.022 1.00 0.00 O ATOM 1180 CB ALA A 989 8.044 -6.983 -0.053 1.00 0.00 C ATOM 0 H ALA A 989 9.739 -7.260 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 989 7.034 -7.977 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.141 -6.843 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.553 -7.892 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.706 -6.129 0.087 1.00 0.00 H new ATOM 1186 N SER A 990 7.609 -4.809 -2.305 1.00 0.00 N ATOM 1187 CA SER A 990 6.991 -3.579 -2.780 1.00 0.00 C ATOM 1188 C SER A 990 6.174 -3.837 -4.041 1.00 0.00 C ATOM 1189 O SER A 990 5.003 -3.468 -4.120 1.00 0.00 O ATOM 1190 CB SER A 990 8.065 -2.528 -3.061 1.00 0.00 C ATOM 1191 OG SER A 990 8.826 -2.253 -1.899 1.00 0.00 O ATOM 0 H SER A 990 8.627 -4.775 -2.256 1.00 0.00 H new ATOM 0 HA SER A 990 6.321 -3.209 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.723 -2.880 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.596 -1.611 -3.418 1.00 0.00 H new ATOM 0 HG SER A 990 9.559 -2.900 -1.827 1.00 0.00 H new ATOM 1197 N GLN A 991 6.793 -4.493 -5.014 1.00 0.00 N ATOM 1198 CA GLN A 991 6.137 -4.785 -6.281 1.00 0.00 C ATOM 1199 C GLN A 991 5.008 -5.794 -6.092 1.00 0.00 C ATOM 1200 O GLN A 991 3.998 -5.752 -6.797 1.00 0.00 O ATOM 1201 CB GLN A 991 7.159 -5.303 -7.291 1.00 0.00 C ATOM 1202 CG GLN A 991 8.230 -4.278 -7.633 1.00 0.00 C ATOM 1203 CD GLN A 991 9.314 -4.835 -8.530 1.00 0.00 C ATOM 1204 OE1 GLN A 991 10.365 -5.362 -7.928 1.00 0.00 O flip ATOM 1205 NE2 GLN A 991 9.209 -4.787 -9.755 1.00 0.00 N flip ATOM 0 H GLN A 991 7.752 -4.834 -4.949 1.00 0.00 H new ATOM 0 HA GLN A 991 5.699 -3.863 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.635 -6.198 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.642 -5.598 -8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 991 7.764 -3.423 -8.123 1.00 0.00 H new ATOM 0 HG3 GLN A 991 8.681 -3.910 -6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 991 8.380 -4.371 -10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 991 9.951 -5.163 -10.346 1.00 0.00 H new ATOM 1214 N SER A 992 5.180 -6.686 -5.125 1.00 0.00 N ATOM 1215 CA SER A 992 4.155 -7.663 -4.791 1.00 0.00 C ATOM 1216 C SER A 992 2.958 -6.975 -4.138 1.00 0.00 C ATOM 1217 O SER A 992 1.820 -7.399 -4.307 1.00 0.00 O ATOM 1218 CB SER A 992 4.732 -8.731 -3.852 1.00 0.00 C ATOM 1219 OG SER A 992 3.781 -9.743 -3.568 1.00 0.00 O ATOM 0 H SER A 992 6.024 -6.752 -4.557 1.00 0.00 H new ATOM 0 HA SER A 992 3.819 -8.146 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 992 5.615 -9.178 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 992 5.055 -8.263 -2.922 1.00 0.00 H new ATOM 0 HG SER A 992 3.281 -9.505 -2.760 1.00 0.00 H new ATOM 1225 N PHE A 993 3.230 -5.903 -3.404 1.00 0.00 N ATOM 1226 CA PHE A 993 2.189 -5.141 -2.728 1.00 0.00 C ATOM 1227 C PHE A 993 1.418 -4.274 -3.723 1.00 0.00 C ATOM 1228 O PHE A 993 0.208 -4.086 -3.593 1.00 0.00 O ATOM 1229 CB PHE A 993 2.819 -4.266 -1.638 1.00 0.00 C ATOM 1230 CG PHE A 993 1.832 -3.458 -0.844 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.145 -4.026 0.217 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.584 -2.136 -1.165 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.233 -3.287 0.944 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.673 -1.392 -0.442 1.00 0.00 C ATOM 1235 CZ PHE A 993 0.017 -1.965 0.632 1.00 0.00 C ATOM 0 H PHE A 993 4.172 -5.540 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 993 1.486 -5.837 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.380 -4.904 -0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.535 -3.588 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.325 -5.058 0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.109 -1.680 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.310 -3.746 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.473 -0.366 -0.714 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.665 -1.374 1.226 1.00 0.00 H new ATOM 1245 N LEU A 994 2.131 -3.759 -4.719 1.00 0.00 N ATOM 1246 CA LEU A 994 1.538 -2.898 -5.742 1.00 0.00 C ATOM 1247 C LEU A 994 0.406 -3.604 -6.483 1.00 0.00 C ATOM 1248 O LEU A 994 -0.614 -2.990 -6.800 1.00 0.00 O ATOM 1249 CB LEU A 994 2.605 -2.470 -6.750 1.00 0.00 C ATOM 1250 CG LEU A 994 3.752 -1.636 -6.183 1.00 0.00 C ATOM 1251 CD1 LEU A 994 4.876 -1.537 -7.197 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.264 -0.250 -5.789 1.00 0.00 C ATOM 0 H LEU A 994 3.130 -3.924 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 994 1.128 -2.023 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.023 -3.365 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.122 -1.899 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 994 4.131 -2.129 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 994 5.689 -0.940 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.243 -2.536 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.505 -1.063 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.096 0.328 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 994 2.860 0.256 -6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.486 -0.340 -5.031 1.00 0.00 H new ATOM 1264 N GLN A 995 0.592 -4.894 -6.740 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.349 -5.664 -7.547 1.00 0.00 C ATOM 1266 C GLN A 995 -1.773 -5.647 -6.953 1.00 0.00 C ATOM 1267 O GLN A 995 -2.697 -5.170 -7.614 1.00 0.00 O ATOM 1268 CB GLN A 995 0.171 -7.094 -7.735 1.00 0.00 C ATOM 1269 CG GLN A 995 -0.602 -7.909 -8.759 1.00 0.00 C ATOM 1270 CD GLN A 995 0.099 -9.211 -9.100 1.00 0.00 C ATOM 1271 OE1 GLN A 995 1.327 -9.299 -9.040 1.00 0.00 O ATOM 1272 NE2 GLN A 995 -0.666 -10.224 -9.465 1.00 0.00 N ATOM 0 H GLN A 995 1.390 -5.431 -6.400 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.422 -5.191 -8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 995 1.218 -7.051 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.137 -7.610 -6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -1.598 -8.125 -8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -0.733 -7.320 -9.667 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -1.679 -10.111 -9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -0.244 -11.120 -9.710 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.991 -6.144 -5.711 1.00 0.00 N ATOM 1282 CA PRO A 996 -3.313 -6.098 -5.081 1.00 0.00 C ATOM 1283 C PRO A 996 -3.637 -4.715 -4.517 1.00 0.00 C ATOM 1284 O PRO A 996 -4.802 -4.325 -4.425 1.00 0.00 O ATOM 1285 CB PRO A 996 -3.202 -7.127 -3.956 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.765 -7.107 -3.573 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.999 -6.807 -4.835 1.00 0.00 C ATOM 0 HA PRO A 996 -4.114 -6.308 -5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -3.841 -6.864 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -3.509 -8.117 -4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -1.575 -6.349 -2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -1.461 -8.065 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 996 -0.145 -6.159 -4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 996 -0.610 -7.717 -5.291 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.595 -3.976 -4.149 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.778 -2.653 -3.586 1.00 0.00 C ATOM 1297 C GLY A 997 -3.398 -1.693 -4.576 1.00 0.00 C ATOM 1298 O GLY A 997 -4.351 -0.985 -4.249 1.00 0.00 O ATOM 0 H GLY A 997 -1.623 -4.273 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.412 -2.721 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.814 -2.263 -3.258 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.868 -1.684 -5.796 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.397 -0.822 -6.835 1.00 0.00 C ATOM 1304 C GLY A 998 -4.838 -1.146 -7.161 1.00 0.00 C ATOM 1305 O GLY A 998 -5.629 -0.253 -7.474 1.00 0.00 O ATOM 0 H GLY A 998 -2.078 -2.262 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.322 0.218 -6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -2.790 -0.924 -7.735 1.00 0.00 H new ATOM 1309 N LYS A 999 -5.179 -2.427 -7.065 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.540 -2.881 -7.308 1.00 0.00 C ATOM 1311 C LYS A 999 -7.493 -2.287 -6.284 1.00 0.00 C ATOM 1312 O LYS A 999 -8.584 -1.837 -6.628 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.617 -4.405 -7.247 1.00 0.00 C ATOM 1314 CG LYS A 999 -5.801 -5.103 -8.315 1.00 0.00 C ATOM 1315 CD LYS A 999 -5.806 -6.603 -8.111 1.00 0.00 C ATOM 1316 CE LYS A 999 -4.976 -7.310 -9.163 1.00 0.00 C ATOM 1317 NZ LYS A 999 -4.887 -8.768 -8.901 1.00 0.00 N ATOM 0 H LYS A 999 -4.526 -3.171 -6.819 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.832 -2.547 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -6.275 -4.738 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.659 -4.711 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -6.205 -4.865 -9.299 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.776 -4.733 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -5.416 -6.838 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -6.831 -6.972 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -5.415 -7.143 -10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -3.974 -6.882 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -4.312 -9.219 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -4.445 -8.928 -7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -5.842 -9.180 -8.905 1.00 0.00 H new ATOM 1331 N MET A1000 -7.069 -2.268 -5.024 1.00 0.00 N ATOM 1332 CA MET A1000 -7.923 -1.778 -3.958 1.00 0.00 C ATOM 1333 C MET A1000 -8.106 -0.272 -4.085 1.00 0.00 C ATOM 1334 O MET A1000 -9.161 0.257 -3.763 1.00 0.00 O ATOM 1335 CB MET A1000 -7.357 -2.140 -2.584 1.00 0.00 C ATOM 1336 CG MET A1000 -8.355 -1.933 -1.453 1.00 0.00 C ATOM 1337 SD MET A1000 -7.759 -2.552 0.133 1.00 0.00 S ATOM 1338 CE MET A1000 -6.349 -1.486 0.402 1.00 0.00 C ATOM 0 H MET A1000 -6.147 -2.584 -4.722 1.00 0.00 H new ATOM 0 HA MET A1000 -8.896 -2.260 -4.051 1.00 0.00 H new ATOM 0 HB2 MET A1000 -7.038 -3.182 -2.592 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.470 -1.536 -2.393 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.577 -0.870 -1.362 1.00 0.00 H new ATOM 0 HG3 MET A1000 -9.290 -2.434 -1.704 1.00 0.00 H new ATOM 0 HE1 MET A1000 -6.001 -1.595 1.429 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.548 -1.762 -0.284 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.637 -0.450 0.225 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.076 0.410 -4.581 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.161 1.845 -4.833 1.00 0.00 C ATOM 1350 C VAL A1001 -8.180 2.126 -5.933 1.00 0.00 C ATOM 1351 O VAL A1001 -9.076 2.958 -5.771 1.00 0.00 O ATOM 1352 CB VAL A1001 -5.798 2.443 -5.248 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -5.918 3.936 -5.510 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -4.748 2.177 -4.183 1.00 0.00 C ATOM 0 H VAL A1001 -6.175 -0.007 -4.816 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.472 2.315 -3.900 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.485 1.957 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -4.946 4.334 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -6.635 4.108 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.260 4.438 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -3.796 2.606 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.060 2.632 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.633 1.102 -4.046 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.043 1.411 -7.045 1.00 0.00 N ATOM 1365 CA ALA A1002 -8.945 1.571 -8.177 1.00 0.00 C ATOM 1366 C ALA A1002 -10.376 1.234 -7.779 1.00 0.00 C ATOM 1367 O ALA A1002 -11.316 1.949 -8.132 1.00 0.00 O ATOM 1368 CB ALA A1002 -8.497 0.697 -9.340 1.00 0.00 C ATOM 0 H ALA A1002 -7.313 0.713 -7.185 1.00 0.00 H new ATOM 0 HA ALA A1002 -8.915 2.614 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -9.181 0.828 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -7.491 0.985 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -8.498 -0.348 -9.031 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.531 0.149 -7.030 1.00 0.00 N ATOM 1375 CA ALA A1003 -11.839 -0.272 -6.553 1.00 0.00 C ATOM 1376 C ALA A1003 -12.418 0.750 -5.584 1.00 0.00 C ATOM 1377 O ALA A1003 -13.589 1.108 -5.684 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.748 -1.637 -5.889 1.00 0.00 C ATOM 0 H ALA A1003 -9.763 -0.456 -6.740 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.506 -0.345 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.735 -1.937 -5.538 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -11.381 -2.368 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -11.062 -1.585 -5.043 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.585 1.225 -4.663 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.017 2.164 -3.633 1.00 0.00 C ATOM 1386 C ALA A1004 -12.650 3.410 -4.234 1.00 0.00 C ATOM 1387 O ALA A1004 -13.772 3.768 -3.889 1.00 0.00 O ATOM 1388 CB ALA A1004 -10.847 2.547 -2.739 1.00 0.00 C ATOM 0 H ALA A1004 -10.598 0.972 -4.609 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.777 1.664 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.186 3.248 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.448 1.653 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.067 3.015 -3.340 1.00 0.00 H new ATOM 1394 N LYS A1005 -11.936 4.046 -5.157 1.00 0.00 N ATOM 1395 CA LYS A1005 -12.400 5.287 -5.772 1.00 0.00 C ATOM 1396 C LYS A1005 -13.753 5.102 -6.458 1.00 0.00 C ATOM 1397 O LYS A1005 -14.577 6.017 -6.483 1.00 0.00 O ATOM 1398 CB LYS A1005 -11.376 5.794 -6.785 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.048 6.193 -6.163 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.074 6.698 -7.214 1.00 0.00 C ATOM 1401 CE LYS A1005 -7.745 7.107 -6.599 1.00 0.00 C ATOM 1402 NZ LYS A1005 -7.883 8.259 -5.669 1.00 0.00 N ATOM 0 H LYS A1005 -11.031 3.722 -5.497 1.00 0.00 H new ATOM 0 HA LYS A1005 -12.518 6.022 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.200 5.018 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -11.793 6.652 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -10.213 6.968 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -9.615 5.337 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -8.906 5.920 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -9.511 7.549 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -7.319 6.259 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -7.044 7.366 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -6.940 8.620 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -8.432 9.013 -6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -8.374 7.951 -4.806 1.00 0.00 H new ATOM 1416 N ALA A1006 -13.978 3.912 -6.997 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.211 3.619 -7.715 1.00 0.00 C ATOM 1418 C ALA A1006 -16.301 3.124 -6.771 1.00 0.00 C ATOM 1419 O ALA A1006 -17.478 3.099 -7.127 1.00 0.00 O ATOM 1420 CB ALA A1006 -14.947 2.590 -8.800 1.00 0.00 C ATOM 0 H ALA A1006 -13.322 3.132 -6.951 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.563 4.543 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -15.874 2.376 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.208 2.981 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.569 1.673 -8.348 1.00 0.00 H new ATOM 1426 N SER A1007 -15.907 2.729 -5.569 1.00 0.00 N ATOM 1427 CA SER A1007 -16.852 2.207 -4.594 1.00 0.00 C ATOM 1428 C SER A1007 -17.355 3.314 -3.670 1.00 0.00 C ATOM 1429 O SER A1007 -18.412 3.185 -3.059 1.00 0.00 O ATOM 1430 CB SER A1007 -16.205 1.088 -3.779 1.00 0.00 C ATOM 1431 OG SER A1007 -15.763 0.033 -4.619 1.00 0.00 O ATOM 0 H SER A1007 -14.940 2.760 -5.246 1.00 0.00 H new ATOM 0 HA SER A1007 -17.708 1.802 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A1007 -15.361 1.486 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A1007 -16.920 0.703 -3.052 1.00 0.00 H new ATOM 0 HG SER A1007 -14.838 0.202 -4.897 1.00 0.00 H new ATOM 1437 N VAL A1008 -16.592 4.402 -3.580 1.00 0.00 N ATOM 1438 CA VAL A1008 -16.960 5.539 -2.733 1.00 0.00 C ATOM 1439 C VAL A1008 -18.388 6.044 -3.011 1.00 0.00 C ATOM 1440 O VAL A1008 -19.197 6.129 -2.084 1.00 0.00 O ATOM 1441 CB VAL A1008 -15.958 6.711 -2.883 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -16.442 7.942 -2.130 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -14.577 6.304 -2.388 1.00 0.00 C ATOM 0 H VAL A1008 -15.713 4.522 -4.084 1.00 0.00 H new ATOM 0 HA VAL A1008 -16.925 5.170 -1.708 1.00 0.00 H new ATOM 0 HB VAL A1008 -15.891 6.959 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -15.720 8.750 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -17.408 8.255 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -16.545 7.704 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -13.888 7.141 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -14.636 6.023 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.217 5.456 -2.971 1.00 0.00 H new ATOM 1453 N PRO A1009 -18.739 6.370 -4.275 1.00 0.00 N ATOM 1454 CA PRO A1009 -20.069 6.906 -4.595 1.00 0.00 C ATOM 1455 C PRO A1009 -21.176 5.862 -4.455 1.00 0.00 C ATOM 1456 O PRO A1009 -22.361 6.195 -4.479 1.00 0.00 O ATOM 1457 CB PRO A1009 -19.938 7.355 -6.050 1.00 0.00 C ATOM 1458 CG PRO A1009 -18.850 6.510 -6.613 1.00 0.00 C ATOM 1459 CD PRO A1009 -17.894 6.258 -5.482 1.00 0.00 C ATOM 0 HA PRO A1009 -20.352 7.707 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -20.872 7.211 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -19.690 8.414 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.247 5.573 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -18.351 7.016 -7.440 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.434 5.273 -5.559 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -17.084 6.988 -5.473 1.00 0.00 H new ATOM 1467 N THR A1010 -20.792 4.601 -4.305 1.00 0.00 N ATOM 1468 CA THR A1010 -21.763 3.531 -4.173 1.00 0.00 C ATOM 1469 C THR A1010 -21.850 3.038 -2.729 1.00 0.00 C ATOM 1470 O THR A1010 -22.552 2.070 -2.431 1.00 0.00 O ATOM 1471 CB THR A1010 -21.435 2.363 -5.124 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.096 1.902 -4.909 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.587 2.791 -6.573 1.00 0.00 C ATOM 0 H THR A1010 -19.819 4.298 -4.272 1.00 0.00 H new ATOM 0 HA THR A1010 -22.736 3.935 -4.452 1.00 0.00 H new ATOM 0 HB THR A1010 -22.135 1.555 -4.913 1.00 0.00 H new ATOM 0 HG1 THR A1010 -19.714 2.357 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.351 1.952 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.613 3.113 -6.752 1.00 0.00 H new ATOM 0 HG23 THR A1010 -20.906 3.616 -6.782 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.133 3.707 -1.831 1.00 0.00 N ATOM 1482 CA ILE A1011 -21.242 3.426 -0.406 1.00 0.00 C ATOM 1483 C ILE A1011 -22.400 4.222 0.185 1.00 0.00 C ATOM 1484 O ILE A1011 -22.497 5.435 -0.019 1.00 0.00 O ATOM 1485 CB ILE A1011 -19.939 3.761 0.361 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -18.799 2.848 -0.091 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -20.150 3.628 1.862 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -17.489 3.104 0.623 1.00 0.00 C ATOM 0 H ILE A1011 -20.471 4.447 -2.066 1.00 0.00 H new ATOM 0 HA ILE A1011 -21.422 2.357 -0.296 1.00 0.00 H new ATOM 0 HB ILE A1011 -19.670 4.793 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -19.092 1.810 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -18.648 2.975 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -19.223 3.868 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -20.933 4.315 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -20.445 2.606 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -16.730 2.418 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -17.171 4.131 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -17.622 2.948 1.694 1.00 0.00 H new ATOM 1500 N GLN A1012 -23.277 3.538 0.903 1.00 0.00 N ATOM 1501 CA GLN A1012 -24.445 4.181 1.484 1.00 0.00 C ATOM 1502 C GLN A1012 -24.055 4.997 2.713 1.00 0.00 C ATOM 1503 O GLN A1012 -24.608 6.072 2.958 1.00 0.00 O ATOM 1504 CB GLN A1012 -25.506 3.140 1.858 1.00 0.00 C ATOM 1505 CG GLN A1012 -26.826 3.762 2.284 1.00 0.00 C ATOM 1506 CD GLN A1012 -27.484 4.541 1.161 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -27.199 5.722 0.958 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -28.387 3.901 0.441 1.00 0.00 N ATOM 0 H GLN A1012 -23.202 2.539 1.097 1.00 0.00 H new ATOM 0 HA GLN A1012 -24.866 4.855 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -25.679 2.483 1.005 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -25.126 2.517 2.668 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -27.502 2.977 2.624 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -26.656 4.425 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -28.597 2.923 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -28.875 4.385 -0.313 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.096 4.491 3.478 1.00 0.00 N ATOM 1518 CA ASP A1013 -22.630 5.187 4.673 1.00 0.00 C ATOM 1519 C ASP A1013 -21.676 6.314 4.297 1.00 0.00 C ATOM 1520 O ASP A1013 -20.586 6.075 3.775 1.00 0.00 O ATOM 1521 CB ASP A1013 -21.944 4.217 5.637 1.00 0.00 C ATOM 1522 CG ASP A1013 -21.449 4.908 6.893 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -22.286 5.306 7.727 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -20.218 5.050 7.054 1.00 0.00 O ATOM 0 H ASP A1013 -22.626 3.604 3.294 1.00 0.00 H new ATOM 0 HA ASP A1013 -23.499 5.614 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -22.642 3.426 5.911 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -21.104 3.740 5.132 1.00 0.00 H new ATOM 1529 N GLN A1014 -22.096 7.542 4.573 1.00 0.00 N ATOM 1530 CA GLN A1014 -21.339 8.730 4.193 1.00 0.00 C ATOM 1531 C GLN A1014 -19.964 8.755 4.859 1.00 0.00 C ATOM 1532 O GLN A1014 -18.970 9.131 4.232 1.00 0.00 O ATOM 1533 CB GLN A1014 -22.125 9.985 4.569 1.00 0.00 C ATOM 1534 CG GLN A1014 -21.511 11.276 4.054 1.00 0.00 C ATOM 1535 CD GLN A1014 -22.314 12.495 4.462 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -22.939 12.516 5.521 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -22.307 13.513 3.620 1.00 0.00 N ATOM 0 H GLN A1014 -22.967 7.743 5.064 1.00 0.00 H new ATOM 0 HA GLN A1014 -21.186 8.703 3.114 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -23.139 9.896 4.180 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -22.204 10.040 5.655 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -20.494 11.369 4.434 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -21.443 11.235 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -21.775 13.453 2.752 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -22.834 14.359 3.838 1.00 0.00 H new ATOM 1546 N ALA A1015 -19.912 8.343 6.123 1.00 0.00 N ATOM 1547 CA ALA A1015 -18.659 8.320 6.872 1.00 0.00 C ATOM 1548 C ALA A1015 -17.628 7.433 6.183 1.00 0.00 C ATOM 1549 O ALA A1015 -16.492 7.851 5.951 1.00 0.00 O ATOM 1550 CB ALA A1015 -18.898 7.844 8.296 1.00 0.00 C ATOM 0 H ALA A1015 -20.723 8.020 6.650 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.267 9.336 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -17.953 7.833 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -19.595 8.519 8.793 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -19.318 6.838 8.278 1.00 0.00 H new ATOM 1556 N SER A1016 -18.040 6.215 5.847 1.00 0.00 N ATOM 1557 CA SER A1016 -17.167 5.264 5.174 1.00 0.00 C ATOM 1558 C SER A1016 -16.744 5.782 3.803 1.00 0.00 C ATOM 1559 O SER A1016 -15.583 5.655 3.419 1.00 0.00 O ATOM 1560 CB SER A1016 -17.868 3.915 5.024 1.00 0.00 C ATOM 1561 OG SER A1016 -18.319 3.434 6.277 1.00 0.00 O ATOM 0 H SER A1016 -18.979 5.863 6.032 1.00 0.00 H new ATOM 0 HA SER A1016 -16.273 5.138 5.786 1.00 0.00 H new ATOM 0 HB2 SER A1016 -18.713 4.014 4.343 1.00 0.00 H new ATOM 0 HB3 SER A1016 -17.183 3.193 4.579 1.00 0.00 H new ATOM 0 HG SER A1016 -19.192 3.829 6.484 1.00 0.00 H new ATOM 1567 N ALA A1017 -17.687 6.373 3.077 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.416 6.897 1.744 1.00 0.00 C ATOM 1569 C ALA A1017 -16.312 7.950 1.785 1.00 0.00 C ATOM 1570 O ALA A1017 -15.306 7.841 1.079 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.684 7.479 1.137 1.00 0.00 C ATOM 0 H ALA A1017 -18.649 6.501 3.391 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.074 6.073 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.466 7.866 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.444 6.701 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -19.052 8.288 1.769 1.00 0.00 H new ATOM 1577 N MET A1018 -16.492 8.954 2.634 1.00 0.00 N ATOM 1578 CA MET A1018 -15.519 10.033 2.760 1.00 0.00 C ATOM 1579 C MET A1018 -14.193 9.515 3.305 1.00 0.00 C ATOM 1580 O MET A1018 -13.124 9.963 2.887 1.00 0.00 O ATOM 1581 CB MET A1018 -16.058 11.145 3.659 1.00 0.00 C ATOM 1582 CG MET A1018 -17.154 11.974 3.008 1.00 0.00 C ATOM 1583 SD MET A1018 -16.574 12.855 1.543 1.00 0.00 S ATOM 1584 CE MET A1018 -15.320 13.918 2.257 1.00 0.00 C ATOM 0 H MET A1018 -17.303 9.044 3.246 1.00 0.00 H new ATOM 0 HA MET A1018 -15.345 10.441 1.764 1.00 0.00 H new ATOM 0 HB2 MET A1018 -16.445 10.703 4.578 1.00 0.00 H new ATOM 0 HB3 MET A1018 -15.236 11.802 3.943 1.00 0.00 H new ATOM 0 HG2 MET A1018 -17.983 11.322 2.732 1.00 0.00 H new ATOM 0 HG3 MET A1018 -17.540 12.692 3.731 1.00 0.00 H new ATOM 0 HE1 MET A1018 -15.370 14.902 1.792 1.00 0.00 H new ATOM 0 HE2 MET A1018 -15.492 14.014 3.329 1.00 0.00 H new ATOM 0 HE3 MET A1018 -14.335 13.485 2.085 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.269 8.558 4.221 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.076 7.970 4.816 1.00 0.00 C ATOM 1596 C GLN A1019 -12.284 7.205 3.763 1.00 0.00 C ATOM 1597 O GLN A1019 -11.069 7.369 3.643 1.00 0.00 O ATOM 1598 CB GLN A1019 -13.460 7.035 5.965 1.00 0.00 C ATOM 1599 CG GLN A1019 -12.277 6.546 6.783 1.00 0.00 C ATOM 1600 CD GLN A1019 -12.684 5.545 7.846 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -13.805 5.576 8.352 1.00 0.00 O ATOM 1602 NE2 GLN A1019 -11.769 4.661 8.201 1.00 0.00 N ATOM 0 H GLN A1019 -15.147 8.172 4.569 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.454 8.773 5.211 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -14.156 7.553 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -13.989 6.173 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -11.544 6.089 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -11.790 7.398 7.257 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -10.851 4.670 7.756 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -11.980 3.969 8.920 1.00 0.00 H new ATOM 1611 N LEU A1020 -12.987 6.388 2.988 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.367 5.594 1.934 1.00 0.00 C ATOM 1613 C LEU A1020 -11.707 6.498 0.898 1.00 0.00 C ATOM 1614 O LEU A1020 -10.630 6.188 0.391 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.412 4.699 1.263 1.00 0.00 C ATOM 1616 CG LEU A1020 -12.873 3.750 0.190 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -11.857 2.789 0.785 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -14.012 2.982 -0.464 1.00 0.00 C ATOM 0 H LEU A1020 -13.995 6.257 3.071 1.00 0.00 H new ATOM 0 HA LEU A1020 -11.599 4.965 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -13.906 4.106 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -14.174 5.335 0.812 1.00 0.00 H new ATOM 0 HG LEU A1020 -12.374 4.346 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -11.486 2.123 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -11.025 3.354 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -12.330 2.200 1.571 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -13.610 2.312 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -14.539 2.399 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -14.705 3.684 -0.928 1.00 0.00 H new ATOM 1630 N SER A1021 -12.354 7.622 0.601 1.00 0.00 N ATOM 1631 CA SER A1021 -11.827 8.589 -0.344 1.00 0.00 C ATOM 1632 C SER A1021 -10.434 9.058 0.073 1.00 0.00 C ATOM 1633 O SER A1021 -9.501 9.065 -0.733 1.00 0.00 O ATOM 1634 CB SER A1021 -12.775 9.780 -0.428 1.00 0.00 C ATOM 1635 OG SER A1021 -14.084 9.373 -0.784 1.00 0.00 O ATOM 0 H SER A1021 -13.252 7.882 1.008 1.00 0.00 H new ATOM 0 HA SER A1021 -11.745 8.114 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A1021 -12.801 10.295 0.532 1.00 0.00 H new ATOM 0 HB3 SER A1021 -12.402 10.493 -1.163 1.00 0.00 H new ATOM 0 HG SER A1021 -14.498 8.905 -0.029 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.300 9.434 1.339 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.032 9.923 1.864 1.00 0.00 C ATOM 1643 C GLN A1022 -8.007 8.791 1.941 1.00 0.00 C ATOM 1644 O GLN A1022 -6.841 8.976 1.594 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.241 10.552 3.246 1.00 0.00 C ATOM 1646 CG GLN A1022 -7.989 11.181 3.842 1.00 0.00 C ATOM 1647 CD GLN A1022 -7.397 12.273 2.968 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -8.106 12.951 2.223 1.00 0.00 O ATOM 1649 NE2 GLN A1022 -6.090 12.458 3.064 1.00 0.00 N ATOM 0 H GLN A1022 -11.057 9.409 2.023 1.00 0.00 H new ATOM 0 HA GLN A1022 -8.647 10.685 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.017 11.314 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -9.610 9.787 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -8.229 11.597 4.820 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -7.240 10.405 4.001 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -5.537 11.875 3.693 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -5.635 13.183 2.509 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.457 7.619 2.373 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.580 6.462 2.508 1.00 0.00 C ATOM 1660 C CYS A1023 -6.987 6.054 1.161 1.00 0.00 C ATOM 1661 O CYS A1023 -5.774 5.890 1.036 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.344 5.290 3.122 1.00 0.00 C ATOM 1663 SG CYS A1023 -9.014 5.635 4.765 1.00 0.00 S ATOM 0 H CYS A1023 -9.427 7.444 2.636 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.758 6.739 3.168 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -9.162 5.014 2.457 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.679 4.428 3.185 1.00 0.00 H new ATOM 0 HG CYS A1023 -9.958 6.524 4.671 1.00 0.00 H new ATOM 1669 N ALA A1024 -7.841 5.920 0.151 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.394 5.527 -1.182 1.00 0.00 C ATOM 1671 C ALA A1024 -6.478 6.588 -1.781 1.00 0.00 C ATOM 1672 O ALA A1024 -5.571 6.277 -2.551 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.585 5.283 -2.094 1.00 0.00 C ATOM 0 H ALA A1024 -8.846 6.078 0.230 1.00 0.00 H new ATOM 0 HA ALA A1024 -6.830 4.599 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.232 4.991 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.203 4.487 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.175 6.196 -2.174 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.719 7.840 -1.412 1.00 0.00 N ATOM 1680 CA LYS A1025 -5.897 8.951 -1.870 1.00 0.00 C ATOM 1681 C LYS A1025 -4.502 8.858 -1.259 1.00 0.00 C ATOM 1682 O LYS A1025 -3.499 9.193 -1.897 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.564 10.278 -1.498 1.00 0.00 C ATOM 1684 CG LYS A1025 -5.831 11.509 -2.004 1.00 0.00 C ATOM 1685 CD LYS A1025 -6.589 12.781 -1.660 1.00 0.00 C ATOM 1686 CE LYS A1025 -7.935 12.839 -2.369 1.00 0.00 C ATOM 1687 NZ LYS A1025 -8.723 14.034 -1.972 1.00 0.00 N ATOM 0 H LYS A1025 -7.483 8.111 -0.793 1.00 0.00 H new ATOM 0 HA LYS A1025 -5.800 8.903 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -7.579 10.285 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -6.646 10.339 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -4.834 11.547 -1.566 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -5.702 11.440 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -6.742 12.834 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -5.992 13.649 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -7.776 12.851 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -8.504 11.938 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -9.632 14.034 -2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -8.897 14.010 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -8.192 14.895 -2.213 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.445 8.390 -0.020 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.173 8.177 0.658 1.00 0.00 C ATOM 1703 C ASN A1026 -2.469 6.962 0.081 1.00 0.00 C ATOM 1704 O ASN A1026 -1.291 7.024 -0.260 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.371 7.988 2.166 1.00 0.00 C ATOM 1706 CG ASN A1026 -3.900 9.229 2.855 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -3.679 10.352 2.400 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -4.596 9.036 3.965 1.00 0.00 N ATOM 0 H ASN A1026 -5.265 8.150 0.537 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.559 9.064 0.500 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -4.063 7.163 2.335 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.421 7.705 2.619 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -4.972 9.834 4.477 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -4.757 8.089 4.308 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.205 5.863 -0.042 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.655 4.614 -0.552 1.00 0.00 C ATOM 1717 C LEU A1027 -2.159 4.782 -1.986 1.00 0.00 C ATOM 1718 O LEU A1027 -1.085 4.297 -2.333 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.707 3.502 -0.480 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.225 2.115 -0.915 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -2.054 1.659 -0.058 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.366 1.111 -0.839 1.00 0.00 C ATOM 0 H LEU A1027 -4.193 5.813 0.207 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.805 4.336 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -4.073 3.436 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.555 3.786 -1.103 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.885 2.177 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.727 0.672 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.231 2.366 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.364 1.612 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -4.009 0.130 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.733 1.054 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.175 1.429 -1.497 1.00 0.00 H new ATOM 1734 N GLY A1028 -2.934 5.482 -2.806 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.535 5.728 -4.178 1.00 0.00 C ATOM 1736 C GLY A1028 -1.219 6.481 -4.271 1.00 0.00 C ATOM 1737 O GLY A1028 -0.366 6.155 -5.098 1.00 0.00 O ATOM 0 H GLY A1028 -3.834 5.884 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.445 4.777 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.314 6.299 -4.683 1.00 0.00 H new ATOM 1741 N THR A1029 -1.054 7.474 -3.409 1.00 0.00 N ATOM 1742 CA THR A1029 0.169 8.261 -3.373 1.00 0.00 C ATOM 1743 C THR A1029 1.300 7.458 -2.729 1.00 0.00 C ATOM 1744 O THR A1029 2.465 7.579 -3.112 1.00 0.00 O ATOM 1745 CB THR A1029 -0.048 9.568 -2.591 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.216 10.241 -3.086 1.00 0.00 O ATOM 1747 CG2 THR A1029 1.156 10.490 -2.710 1.00 0.00 C ATOM 0 H THR A1029 -1.755 7.754 -2.723 1.00 0.00 H new ATOM 0 HA THR A1029 0.444 8.507 -4.399 1.00 0.00 H new ATOM 0 HB THR A1029 -0.183 9.314 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A1029 -2.015 9.864 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A1029 0.971 11.405 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A1029 2.038 9.990 -2.311 1.00 0.00 H new ATOM 0 HG23 THR A1029 1.323 10.737 -3.758 1.00 0.00 H new ATOM 1755 N ALA A1030 0.944 6.625 -1.758 1.00 0.00 N ATOM 1756 CA ALA A1030 1.903 5.735 -1.124 1.00 0.00 C ATOM 1757 C ALA A1030 2.477 4.766 -2.149 1.00 0.00 C ATOM 1758 O ALA A1030 3.687 4.534 -2.193 1.00 0.00 O ATOM 1759 CB ALA A1030 1.244 4.979 0.020 1.00 0.00 C ATOM 0 H ALA A1030 -0.006 6.549 -1.393 1.00 0.00 H new ATOM 0 HA ALA A1030 2.720 6.330 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A1030 1.973 4.316 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A1030 0.874 5.689 0.760 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.412 4.390 -0.365 1.00 0.00 H new ATOM 1765 N LEU A1031 1.600 4.222 -2.987 1.00 0.00 N ATOM 1766 CA LEU A1031 2.017 3.343 -4.070 1.00 0.00 C ATOM 1767 C LEU A1031 2.827 4.116 -5.098 1.00 0.00 C ATOM 1768 O LEU A1031 3.779 3.592 -5.666 1.00 0.00 O ATOM 1769 CB LEU A1031 0.803 2.701 -4.742 1.00 0.00 C ATOM 1770 CG LEU A1031 -0.052 1.818 -3.835 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.218 1.234 -4.612 1.00 0.00 C ATOM 1772 CD2 LEU A1031 0.788 0.709 -3.222 1.00 0.00 C ATOM 0 H LEU A1031 0.593 4.376 -2.935 1.00 0.00 H new ATOM 0 HA LEU A1031 2.640 2.555 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.174 3.492 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.149 2.102 -5.584 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.448 2.434 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.818 0.607 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.835 2.042 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.840 0.632 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.161 0.091 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.213 0.094 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.593 1.146 -2.632 1.00 0.00 H new ATOM 1784 N ALA A1032 2.448 5.370 -5.319 1.00 0.00 N ATOM 1785 CA ALA A1032 3.167 6.246 -6.239 1.00 0.00 C ATOM 1786 C ALA A1032 4.636 6.354 -5.840 1.00 0.00 C ATOM 1787 O ALA A1032 5.533 6.313 -6.688 1.00 0.00 O ATOM 1788 CB ALA A1032 2.513 7.621 -6.265 1.00 0.00 C ATOM 0 H ALA A1032 1.642 5.805 -4.871 1.00 0.00 H new ATOM 0 HA ALA A1032 3.121 5.818 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A1032 3.055 8.269 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.478 7.526 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.536 8.054 -5.265 1.00 0.00 H new ATOM 1794 N GLU A1033 4.876 6.486 -4.544 1.00 0.00 N ATOM 1795 CA GLU A1033 6.232 6.506 -4.016 1.00 0.00 C ATOM 1796 C GLU A1033 6.874 5.134 -4.147 1.00 0.00 C ATOM 1797 O GLU A1033 7.917 4.990 -4.773 1.00 0.00 O ATOM 1798 CB GLU A1033 6.234 6.913 -2.547 1.00 0.00 C ATOM 1799 CG GLU A1033 5.692 8.299 -2.286 1.00 0.00 C ATOM 1800 CD GLU A1033 6.523 9.387 -2.930 1.00 0.00 C ATOM 1801 OE1 GLU A1033 7.588 9.728 -2.376 1.00 0.00 O ATOM 1802 OE2 GLU A1033 6.113 9.909 -3.988 1.00 0.00 O ATOM 0 H GLU A1033 4.147 6.581 -3.837 1.00 0.00 H new ATOM 0 HA GLU A1033 6.802 7.234 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A1033 5.644 6.192 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A1033 7.254 6.857 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.670 8.360 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A1033 5.649 8.470 -1.210 1.00 0.00 H new ATOM 1809 N LEU A1034 6.220 4.137 -3.558 1.00 0.00 N ATOM 1810 CA LEU A1034 6.753 2.780 -3.467 1.00 0.00 C ATOM 1811 C LEU A1034 7.076 2.194 -4.840 1.00 0.00 C ATOM 1812 O LEU A1034 8.145 1.614 -5.040 1.00 0.00 O ATOM 1813 CB LEU A1034 5.742 1.887 -2.744 1.00 0.00 C ATOM 1814 CG LEU A1034 6.251 0.501 -2.358 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.376 0.617 -1.341 1.00 0.00 C ATOM 1816 CD2 LEU A1034 5.113 -0.346 -1.809 1.00 0.00 C ATOM 0 H LEU A1034 5.301 4.247 -3.128 1.00 0.00 H new ATOM 0 HA LEU A1034 7.687 2.824 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.412 2.399 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A1034 4.866 1.769 -3.382 1.00 0.00 H new ATOM 0 HG LEU A1034 6.643 0.010 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.730 -0.379 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.197 1.191 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A1034 7.008 1.123 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.491 -1.332 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.693 0.137 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.338 -0.451 -2.569 1.00 0.00 H new ATOM 1828 N ARG A1035 6.158 2.362 -5.781 1.00 0.00 N ATOM 1829 CA ARG A1035 6.325 1.835 -7.131 1.00 0.00 C ATOM 1830 C ARG A1035 7.556 2.437 -7.802 1.00 0.00 C ATOM 1831 O ARG A1035 8.320 1.739 -8.471 1.00 0.00 O ATOM 1832 CB ARG A1035 5.073 2.124 -7.965 1.00 0.00 C ATOM 1833 CG ARG A1035 5.114 1.538 -9.363 1.00 0.00 C ATOM 1834 CD ARG A1035 3.846 1.855 -10.136 1.00 0.00 C ATOM 1835 NE ARG A1035 3.841 1.217 -11.448 1.00 0.00 N ATOM 1836 CZ ARG A1035 2.742 0.833 -12.090 1.00 0.00 C ATOM 1837 NH1 ARG A1035 1.542 1.095 -11.584 1.00 0.00 N ATOM 1838 NH2 ARG A1035 2.852 0.205 -13.254 1.00 0.00 N ATOM 0 H ARG A1035 5.282 2.863 -5.634 1.00 0.00 H new ATOM 0 HA ARG A1035 6.468 0.756 -7.064 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.202 1.729 -7.442 1.00 0.00 H new ATOM 0 HB3 ARG A1035 4.939 3.203 -8.038 1.00 0.00 H new ATOM 0 HG2 ARG A1035 5.977 1.933 -9.899 1.00 0.00 H new ATOM 0 HG3 ARG A1035 5.244 0.457 -9.302 1.00 0.00 H new ATOM 0 HD2 ARG A1035 2.979 1.522 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A1035 3.753 2.934 -10.256 1.00 0.00 H new ATOM 0 HE ARG A1035 4.740 1.055 -11.903 1.00 0.00 H new ATOM 0 HH11 ARG A1035 1.460 1.594 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A1035 0.703 0.798 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A1035 3.774 0.021 -13.649 1.00 0.00 H new ATOM 0 HH22 ARG A1035 2.014 -0.093 -13.754 1.00 0.00 H new ATOM 1852 N THR A1036 7.751 3.732 -7.609 1.00 0.00 N ATOM 1853 CA THR A1036 8.899 4.421 -8.175 1.00 0.00 C ATOM 1854 C THR A1036 10.157 4.115 -7.357 1.00 0.00 C ATOM 1855 O THR A1036 11.264 4.034 -7.892 1.00 0.00 O ATOM 1856 CB THR A1036 8.656 5.941 -8.210 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.359 6.210 -8.767 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.718 6.646 -9.039 1.00 0.00 C ATOM 0 H THR A1036 7.128 4.328 -7.064 1.00 0.00 H new ATOM 0 HA THR A1036 9.042 4.066 -9.196 1.00 0.00 H new ATOM 0 HB THR A1036 8.708 6.318 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.698 6.265 -8.045 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.521 7.718 -9.046 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.701 6.460 -8.606 1.00 0.00 H new ATOM 0 HG23 THR A1036 9.694 6.266 -10.060 1.00 0.00 H new ATOM 1866 N ALA A1037 9.962 3.919 -6.059 1.00 0.00 N ATOM 1867 CA ALA A1037 11.052 3.635 -5.138 1.00 0.00 C ATOM 1868 C ALA A1037 11.719 2.309 -5.470 1.00 0.00 C ATOM 1869 O ALA A1037 12.935 2.244 -5.651 1.00 0.00 O ATOM 1870 CB ALA A1037 10.533 3.629 -3.706 1.00 0.00 C ATOM 0 H ALA A1037 9.044 3.953 -5.617 1.00 0.00 H new ATOM 0 HA ALA A1037 11.802 4.419 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A1037 11.355 3.416 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A1037 10.108 4.604 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A1037 9.765 2.863 -3.601 1.00 0.00 H new ATOM 1876 N ALA A1038 10.913 1.257 -5.564 1.00 0.00 N ATOM 1877 CA ALA A1038 11.419 -0.070 -5.878 1.00 0.00 C ATOM 1878 C ALA A1038 11.990 -0.108 -7.288 1.00 0.00 C ATOM 1879 O ALA A1038 12.936 -0.840 -7.565 1.00 0.00 O ATOM 1880 CB ALA A1038 10.323 -1.110 -5.718 1.00 0.00 C ATOM 0 H ALA A1038 9.903 1.300 -5.426 1.00 0.00 H new ATOM 0 HA ALA A1038 12.221 -0.304 -5.178 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.720 -2.097 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A1038 9.963 -1.103 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.499 -0.877 -6.393 1.00 0.00 H new ATOM 1886 N GLN A1039 11.411 0.698 -8.169 1.00 0.00 N ATOM 1887 CA GLN A1039 11.887 0.812 -9.540 1.00 0.00 C ATOM 1888 C GLN A1039 13.336 1.290 -9.559 1.00 0.00 C ATOM 1889 O GLN A1039 14.193 0.686 -10.208 1.00 0.00 O ATOM 1890 CB GLN A1039 10.985 1.776 -10.321 1.00 0.00 C ATOM 1891 CG GLN A1039 11.415 2.031 -11.759 1.00 0.00 C ATOM 1892 CD GLN A1039 12.106 3.371 -11.944 1.00 0.00 C ATOM 1893 OE1 GLN A1039 13.426 3.383 -11.856 1.00 0.00 O flip ATOM 1894 NE2 GLN A1039 11.456 4.388 -12.183 1.00 0.00 N flip ATOM 0 H GLN A1039 10.605 1.286 -7.955 1.00 0.00 H new ATOM 0 HA GLN A1039 11.848 -0.167 -10.017 1.00 0.00 H new ATOM 0 HB2 GLN A1039 9.970 1.378 -10.325 1.00 0.00 H new ATOM 0 HB3 GLN A1039 10.952 2.729 -9.792 1.00 0.00 H new ATOM 0 HG2 GLN A1039 12.088 1.235 -12.078 1.00 0.00 H new ATOM 0 HG3 GLN A1039 10.540 1.987 -12.407 1.00 0.00 H new ATOM 0 HE21 GLN A1039 10.439 4.341 -12.244 1.00 0.00 H new ATOM 0 HE22 GLN A1039 11.934 5.278 -12.321 1.00 0.00 H new ATOM 1903 N LYS A1040 13.603 2.364 -8.829 1.00 0.00 N ATOM 1904 CA LYS A1040 14.940 2.946 -8.779 1.00 0.00 C ATOM 1905 C LYS A1040 15.919 2.019 -8.073 1.00 0.00 C ATOM 1906 O LYS A1040 17.096 1.968 -8.415 1.00 0.00 O ATOM 1907 CB LYS A1040 14.906 4.298 -8.072 1.00 0.00 C ATOM 1908 CG LYS A1040 14.083 5.346 -8.797 1.00 0.00 C ATOM 1909 CD LYS A1040 14.068 6.662 -8.040 1.00 0.00 C ATOM 1910 CE LYS A1040 13.248 7.715 -8.766 1.00 0.00 C ATOM 1911 NZ LYS A1040 13.852 8.094 -10.071 1.00 0.00 N ATOM 0 H LYS A1040 12.910 2.852 -8.261 1.00 0.00 H new ATOM 0 HA LYS A1040 15.279 3.086 -9.805 1.00 0.00 H new ATOM 0 HB2 LYS A1040 14.503 4.163 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A1040 15.926 4.665 -7.959 1.00 0.00 H new ATOM 0 HG2 LYS A1040 14.491 5.504 -9.795 1.00 0.00 H new ATOM 0 HG3 LYS A1040 13.062 4.986 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A1040 13.658 6.504 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A1040 15.089 7.020 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A1040 12.239 7.338 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS A1040 13.159 8.601 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 13.372 8.938 -10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 14.863 8.301 -9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 13.745 7.309 -10.744 1.00 0.00 H new ATOM 1925 N ALA A1041 15.426 1.281 -7.090 1.00 0.00 N ATOM 1926 CA ALA A1041 16.271 0.387 -6.313 1.00 0.00 C ATOM 1927 C ALA A1041 16.588 -0.894 -7.076 1.00 0.00 C ATOM 1928 O ALA A1041 17.580 -1.565 -6.796 1.00 0.00 O ATOM 1929 CB ALA A1041 15.601 0.052 -4.993 1.00 0.00 C ATOM 0 H ALA A1041 14.445 1.284 -6.811 1.00 0.00 H new ATOM 0 HA ALA A1041 17.212 0.903 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.242 -0.618 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.434 0.968 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A1041 14.645 -0.436 -5.184 1.00 0.00 H new ATOM 1935 N GLN A1042 15.742 -1.229 -8.037 1.00 0.00 N ATOM 1936 CA GLN A1042 15.887 -2.475 -8.773 1.00 0.00 C ATOM 1937 C GLN A1042 16.786 -2.297 -9.994 1.00 0.00 C ATOM 1938 O GLN A1042 17.846 -2.921 -10.087 1.00 0.00 O ATOM 1939 CB GLN A1042 14.515 -2.999 -9.196 1.00 0.00 C ATOM 1940 CG GLN A1042 14.561 -4.377 -9.827 1.00 0.00 C ATOM 1941 CD GLN A1042 13.191 -4.871 -10.245 1.00 0.00 C ATOM 1942 OE1 GLN A1042 12.311 -4.082 -10.585 1.00 0.00 O ATOM 1943 NE2 GLN A1042 12.999 -6.178 -10.218 1.00 0.00 N ATOM 0 H GLN A1042 14.949 -0.656 -8.325 1.00 0.00 H new ATOM 0 HA GLN A1042 16.359 -3.204 -8.114 1.00 0.00 H new ATOM 0 HB2 GLN A1042 13.862 -3.029 -8.324 1.00 0.00 H new ATOM 0 HB3 GLN A1042 14.070 -2.299 -9.903 1.00 0.00 H new ATOM 0 HG2 GLN A1042 15.216 -4.352 -10.698 1.00 0.00 H new ATOM 0 HG3 GLN A1042 14.998 -5.082 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A1042 13.755 -6.799 -9.930 1.00 0.00 H new ATOM 0 HE22 GLN A1042 12.094 -6.566 -10.485 1.00 0.00 H new