USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1035 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: A1008 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A1017 TYR OH : rot 49:sc= -0.726! USER MOD Set 2.1: A1001 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.26) USER MOD Set 2.2: A1020 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.17) USER MOD Single : A 922 ASN : amide:sc= -0.0831 X(o=-0.083,f=-0.026) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -2.5 K(o=-2.5,f=-9.4!) USER MOD Single : A 930 THR OG1 : rot -107:sc= -1.98! USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 155:sc= -0.561 (180deg=-2.34!) USER MOD Single : A 940 SER OG : rot -58:sc= 1.18 USER MOD Single : A 941 SER OG : rot 180:sc= 0.00667 USER MOD Single : A 942 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 944 GLN : amide:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 951 TYR OH : rot 180:sc= 0 USER MOD Single : A 954 MET CE :methyl -116:sc= -3.64 (180deg=-5.03) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot -23:sc= -2.4 USER MOD Single : A 972 SER OG : rot -170:sc= 0 USER MOD Single : A 979 SER OG : rot 92:sc= -0.114 USER MOD Single : A 980 THR OG1 : rot -119:sc= 0.822 USER MOD Single : A 981 HIS : no HD1:sc= -0.0496 X(o=-0.05,f=-0.043) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.1) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.436 K(o=-0.44,f=-2.2!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.414 K(o=-0.41,f=-4!) USER MOD Single : A1002 MET CE :methyl -164:sc= -3.17! (180deg=-4.24!) USER MOD Single : A1003 LYS NZ :NH3+ -107:sc= -0.0078 (180deg=-0.737) USER MOD Single : A1006 GLN : amide:sc= -8.09! C(o=-8.1!,f=-6.1!) USER MOD Single : A1007 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1010 MET CE :methyl -116:sc= -3.06! (180deg=-5.37!) USER MOD Single : A1011 THR OG1 : rot -51:sc= 0.812 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc=-0.00716 X(o=-0.0072,f=0) USER MOD Single : A1015 GLN : amide:sc= -0.306 K(o=-0.31,f=-0.86) USER MOD Single : A1018 LYS NZ :NH3+ -113:sc= -0.0644 (180deg=-2.04!) USER MOD Single : A1019 LYS NZ :NH3+ -151:sc= -0.117 (180deg=-0.712) USER MOD Single : A1021 MET CE :methyl -159:sc= -0.314 (180deg=-0.917) USER MOD Single : A1023 THR OG1 : rot 92:sc= 0.408 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : A1041 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl -167:sc= -1.72 (180deg=-2.89!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.742 -10.118 -6.790 1.00 0.00 N ATOM 108 CA ASN A 922 5.362 -9.574 -5.497 1.00 0.00 C ATOM 109 C ASN A 922 6.320 -8.441 -5.125 1.00 0.00 C ATOM 110 O ASN A 922 6.048 -7.669 -4.206 1.00 0.00 O ATOM 111 CB ASN A 922 5.444 -10.642 -4.404 1.00 0.00 C ATOM 112 CG ASN A 922 6.829 -11.291 -4.375 1.00 0.00 C ATOM 113 OD1 ASN A 922 7.125 -12.216 -5.114 1.00 0.00 O ATOM 114 ND2 ASN A 922 7.659 -10.757 -3.484 1.00 0.00 N ATOM 0 HA ASN A 922 4.336 -9.213 -5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 922 5.229 -10.193 -3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 922 4.685 -11.404 -4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 922 8.607 -11.120 -3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 922 7.347 -9.984 -2.896 1.00 0.00 H new ATOM 121 N ASP A 923 7.423 -8.377 -5.856 1.00 0.00 N ATOM 122 CA ASP A 923 8.423 -7.352 -5.614 1.00 0.00 C ATOM 123 C ASP A 923 7.934 -6.021 -6.190 1.00 0.00 C ATOM 124 O ASP A 923 8.229 -4.959 -5.646 1.00 0.00 O ATOM 125 CB ASP A 923 9.748 -7.702 -6.294 1.00 0.00 C ATOM 126 CG ASP A 923 10.993 -7.502 -5.428 1.00 0.00 C ATOM 127 OD1 ASP A 923 10.808 -7.188 -4.232 1.00 0.00 O ATOM 128 OD2 ASP A 923 12.102 -7.668 -5.980 1.00 0.00 O ATOM 0 H ASP A 923 7.646 -9.019 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 923 8.578 -7.281 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.710 -8.743 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 923 9.849 -7.095 -7.194 1.00 0.00 H new ATOM 133 N LYS A 924 7.193 -6.124 -7.284 1.00 0.00 N ATOM 134 CA LYS A 924 6.660 -4.942 -7.940 1.00 0.00 C ATOM 135 C LYS A 924 5.564 -4.330 -7.066 1.00 0.00 C ATOM 136 O LYS A 924 5.559 -3.124 -6.824 1.00 0.00 O ATOM 137 CB LYS A 924 6.198 -5.279 -9.359 1.00 0.00 C ATOM 138 CG LYS A 924 7.189 -4.751 -10.398 1.00 0.00 C ATOM 139 CD LYS A 924 6.711 -3.423 -10.987 1.00 0.00 C ATOM 140 CE LYS A 924 7.595 -2.265 -10.517 1.00 0.00 C ATOM 141 NZ LYS A 924 7.971 -1.404 -11.661 1.00 0.00 N ATOM 0 H LYS A 924 6.949 -7.007 -7.732 1.00 0.00 H new ATOM 0 HA LYS A 924 7.437 -4.186 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 924 6.095 -6.359 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.214 -4.846 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 924 8.168 -4.617 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 924 7.310 -5.484 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 924 6.725 -3.478 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 924 5.678 -3.240 -10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 924 7.065 -1.675 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 924 8.493 -2.656 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 8.571 -0.623 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 8.495 -1.967 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 7.112 -1.016 -12.101 1.00 0.00 H new ATOM 155 N VAL A 925 4.661 -5.189 -6.616 1.00 0.00 N ATOM 156 CA VAL A 925 3.562 -4.748 -5.774 1.00 0.00 C ATOM 157 C VAL A 925 4.125 -4.085 -4.515 1.00 0.00 C ATOM 158 O VAL A 925 3.807 -2.933 -4.222 1.00 0.00 O ATOM 159 CB VAL A 925 2.634 -5.925 -5.466 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.347 -5.446 -4.791 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.325 -6.726 -6.732 1.00 0.00 C ATOM 0 H VAL A 925 4.668 -6.189 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 925 2.958 -4.003 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 925 3.151 -6.586 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 925 0.705 -6.302 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 925 1.592 -4.941 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 925 0.826 -4.754 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.664 -7.556 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.838 -6.079 -7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.253 -7.114 -7.153 1.00 0.00 H new ATOM 171 N TYR A 926 4.949 -4.840 -3.805 1.00 0.00 N ATOM 172 CA TYR A 926 5.559 -4.340 -2.584 1.00 0.00 C ATOM 173 C TYR A 926 6.397 -3.090 -2.863 1.00 0.00 C ATOM 174 O TYR A 926 6.516 -2.215 -2.006 1.00 0.00 O ATOM 175 CB TYR A 926 6.479 -5.455 -2.084 1.00 0.00 C ATOM 176 CG TYR A 926 5.758 -6.547 -1.291 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.471 -6.910 -1.630 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.396 -7.170 -0.238 1.00 0.00 C ATOM 179 CE1 TYR A 926 3.792 -7.938 -0.884 1.00 0.00 C ATOM 180 CE2 TYR A 926 5.718 -8.198 0.509 1.00 0.00 C ATOM 181 CZ TYR A 926 4.449 -8.531 0.149 1.00 0.00 C ATOM 182 OH TYR A 926 3.809 -9.502 0.853 1.00 0.00 O ATOM 0 H TYR A 926 5.209 -5.795 -4.051 1.00 0.00 H new ATOM 0 HA TYR A 926 4.794 -4.071 -1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 926 6.979 -5.911 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.256 -5.017 -1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 926 3.972 -6.423 -2.455 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.404 -6.887 0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 926 2.784 -8.231 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.206 -8.693 1.336 1.00 0.00 H new ATOM 0 HH TYR A 926 4.399 -9.836 1.560 1.00 0.00 H new ATOM 192 N GLU A 927 6.956 -3.046 -4.063 1.00 0.00 N ATOM 193 CA GLU A 927 7.779 -1.918 -4.465 1.00 0.00 C ATOM 194 C GLU A 927 6.904 -0.694 -4.742 1.00 0.00 C ATOM 195 O GLU A 927 7.148 0.383 -4.201 1.00 0.00 O ATOM 196 CB GLU A 927 8.633 -2.270 -5.685 1.00 0.00 C ATOM 197 CG GLU A 927 9.908 -3.005 -5.268 1.00 0.00 C ATOM 198 CD GLU A 927 10.960 -2.025 -4.744 1.00 0.00 C ATOM 199 OE1 GLU A 927 10.961 -0.877 -5.237 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.738 -2.447 -3.861 1.00 0.00 O ATOM 0 H GLU A 927 6.855 -3.774 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 927 8.456 -1.677 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 927 8.057 -2.893 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.894 -1.360 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.673 -3.739 -4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.310 -3.555 -6.119 1.00 0.00 H new ATOM 207 N ASN A 928 5.902 -0.902 -5.584 1.00 0.00 N ATOM 208 CA ASN A 928 4.989 0.172 -5.940 1.00 0.00 C ATOM 209 C ASN A 928 4.474 0.840 -4.664 1.00 0.00 C ATOM 210 O ASN A 928 4.495 2.065 -4.548 1.00 0.00 O ATOM 211 CB ASN A 928 3.783 -0.365 -6.713 1.00 0.00 C ATOM 212 CG ASN A 928 3.173 0.722 -7.600 1.00 0.00 C ATOM 213 OD1 ASN A 928 2.013 1.081 -7.478 1.00 0.00 O ATOM 214 ND2 ASN A 928 4.016 1.224 -8.498 1.00 0.00 N ATOM 0 H ASN A 928 5.702 -1.797 -6.030 1.00 0.00 H new ATOM 0 HA ASN A 928 5.530 0.883 -6.565 1.00 0.00 H new ATOM 0 HB2 ASN A 928 4.088 -1.212 -7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.032 -0.732 -6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 928 3.704 1.955 -9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 928 4.974 0.878 -8.547 1.00 0.00 H new ATOM 221 N VAL A 929 4.022 0.007 -3.738 1.00 0.00 N ATOM 222 CA VAL A 929 3.501 0.502 -2.475 1.00 0.00 C ATOM 223 C VAL A 929 4.569 1.356 -1.788 1.00 0.00 C ATOM 224 O VAL A 929 4.352 2.539 -1.531 1.00 0.00 O ATOM 225 CB VAL A 929 3.025 -0.667 -1.611 1.00 0.00 C ATOM 226 CG1 VAL A 929 2.739 -0.210 -0.179 1.00 0.00 C ATOM 227 CG2 VAL A 929 1.796 -1.339 -2.227 1.00 0.00 C ATOM 0 H VAL A 929 4.006 -1.008 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 929 2.633 1.139 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 929 3.827 -1.404 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.402 -1.060 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.648 0.201 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 929 1.963 0.555 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 929 1.478 -2.167 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 929 0.987 -0.613 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.046 -1.717 -3.218 1.00 0.00 H new ATOM 237 N THR A 930 5.700 0.724 -1.511 1.00 0.00 N ATOM 238 CA THR A 930 6.802 1.411 -0.860 1.00 0.00 C ATOM 239 C THR A 930 7.109 2.727 -1.578 1.00 0.00 C ATOM 240 O THR A 930 7.162 3.783 -0.950 1.00 0.00 O ATOM 241 CB THR A 930 7.993 0.453 -0.810 1.00 0.00 C ATOM 242 OG1 THR A 930 7.906 -0.274 -2.033 1.00 0.00 O ATOM 243 CG2 THR A 930 7.839 -0.618 0.272 1.00 0.00 C ATOM 0 H THR A 930 5.877 -0.257 -1.726 1.00 0.00 H new ATOM 0 HA THR A 930 6.547 1.688 0.163 1.00 0.00 H new ATOM 0 HB THR A 930 8.907 1.020 -0.632 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.597 -1.186 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.712 -1.271 0.264 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.752 -0.140 1.248 1.00 0.00 H new ATOM 0 HG23 THR A 930 6.943 -1.207 0.076 1.00 0.00 H new ATOM 251 N GLY A 931 7.303 2.620 -2.884 1.00 0.00 N ATOM 252 CA GLY A 931 7.604 3.788 -3.694 1.00 0.00 C ATOM 253 C GLY A 931 6.499 4.839 -3.572 1.00 0.00 C ATOM 254 O GLY A 931 6.760 6.036 -3.681 1.00 0.00 O ATOM 0 H GLY A 931 7.258 1.742 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.555 4.217 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 931 7.716 3.493 -4.737 1.00 0.00 H new ATOM 258 N LEU A 932 5.286 4.354 -3.346 1.00 0.00 N ATOM 259 CA LEU A 932 4.141 5.236 -3.207 1.00 0.00 C ATOM 260 C LEU A 932 4.237 5.985 -1.876 1.00 0.00 C ATOM 261 O LEU A 932 4.248 7.214 -1.851 1.00 0.00 O ATOM 262 CB LEU A 932 2.837 4.454 -3.380 1.00 0.00 C ATOM 263 CG LEU A 932 1.868 4.496 -2.197 1.00 0.00 C ATOM 264 CD1 LEU A 932 1.463 5.935 -1.871 1.00 0.00 C ATOM 265 CD2 LEU A 932 0.653 3.602 -2.453 1.00 0.00 C ATOM 0 H LEU A 932 5.072 3.361 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 932 4.142 5.987 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.321 4.837 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.085 3.412 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 932 2.381 4.100 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.774 5.937 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.351 6.514 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 932 0.975 6.381 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -0.020 3.649 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.130 3.945 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 932 0.982 2.573 -2.599 1.00 0.00 H new ATOM 277 N VAL A 933 4.303 5.211 -0.803 1.00 0.00 N ATOM 278 CA VAL A 933 4.398 5.785 0.529 1.00 0.00 C ATOM 279 C VAL A 933 5.723 6.539 0.661 1.00 0.00 C ATOM 280 O VAL A 933 5.787 7.578 1.316 1.00 0.00 O ATOM 281 CB VAL A 933 4.224 4.691 1.584 1.00 0.00 C ATOM 282 CG1 VAL A 933 2.827 4.072 1.507 1.00 0.00 C ATOM 283 CG2 VAL A 933 5.308 3.619 1.446 1.00 0.00 C ATOM 0 H VAL A 933 4.293 4.191 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 933 3.597 6.505 0.693 1.00 0.00 H new ATOM 0 HB VAL A 933 4.332 5.152 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 933 2.730 3.297 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 933 2.077 4.844 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 933 2.677 3.633 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 933 5.161 2.853 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 933 5.246 3.164 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 933 6.289 4.075 1.575 1.00 0.00 H new ATOM 293 N LYS A 934 6.747 5.986 0.029 1.00 0.00 N ATOM 294 CA LYS A 934 8.067 6.593 0.068 1.00 0.00 C ATOM 295 C LYS A 934 7.983 8.020 -0.476 1.00 0.00 C ATOM 296 O LYS A 934 8.703 8.906 -0.019 1.00 0.00 O ATOM 297 CB LYS A 934 9.083 5.714 -0.664 1.00 0.00 C ATOM 298 CG LYS A 934 9.406 4.458 0.147 1.00 0.00 C ATOM 299 CD LYS A 934 10.828 4.518 0.709 1.00 0.00 C ATOM 300 CE LYS A 934 10.954 3.665 1.973 1.00 0.00 C ATOM 301 NZ LYS A 934 12.370 3.313 2.221 1.00 0.00 N ATOM 0 H LYS A 934 6.690 5.124 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 934 8.424 6.664 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 934 8.688 5.430 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 934 9.997 6.280 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.692 4.355 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.297 3.576 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.535 4.167 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.090 5.551 0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 934 10.553 4.210 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 934 10.360 2.757 1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 12.438 2.734 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 12.741 2.775 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 12.928 4.182 2.343 1.00 0.00 H new ATOM 315 N ALA A 935 7.098 8.199 -1.446 1.00 0.00 N ATOM 316 CA ALA A 935 6.911 9.504 -2.057 1.00 0.00 C ATOM 317 C ALA A 935 5.939 10.325 -1.209 1.00 0.00 C ATOM 318 O ALA A 935 6.197 11.492 -0.917 1.00 0.00 O ATOM 319 CB ALA A 935 6.422 9.327 -3.497 1.00 0.00 C ATOM 0 H ALA A 935 6.503 7.462 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 935 7.855 10.048 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.281 10.305 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.161 8.762 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.475 8.787 -3.496 1.00 0.00 H new ATOM 325 N VAL A 936 4.841 9.684 -0.835 1.00 0.00 N ATOM 326 CA VAL A 936 3.829 10.341 -0.025 1.00 0.00 C ATOM 327 C VAL A 936 4.513 11.244 1.004 1.00 0.00 C ATOM 328 O VAL A 936 4.063 12.362 1.249 1.00 0.00 O ATOM 329 CB VAL A 936 2.910 9.297 0.612 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.207 9.867 1.846 1.00 0.00 C ATOM 331 CG2 VAL A 936 1.895 8.768 -0.402 1.00 0.00 C ATOM 0 H VAL A 936 4.630 8.716 -1.078 1.00 0.00 H new ATOM 0 HA VAL A 936 3.196 10.976 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 936 3.528 8.459 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.560 9.105 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 936 2.952 10.172 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.608 10.730 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.254 8.028 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.284 9.593 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.422 8.306 -1.237 1.00 0.00 H new ATOM 341 N ILE A 937 5.588 10.725 1.577 1.00 0.00 N ATOM 342 CA ILE A 937 6.338 11.470 2.574 1.00 0.00 C ATOM 343 C ILE A 937 7.321 12.408 1.871 1.00 0.00 C ATOM 344 O ILE A 937 7.188 13.628 1.953 1.00 0.00 O ATOM 345 CB ILE A 937 7.003 10.516 3.568 1.00 0.00 C ATOM 346 CG1 ILE A 937 5.955 9.733 4.362 1.00 0.00 C ATOM 347 CG2 ILE A 937 7.973 11.266 4.483 1.00 0.00 C ATOM 348 CD1 ILE A 937 6.506 8.378 4.811 1.00 0.00 C ATOM 0 H ILE A 937 5.958 9.797 1.370 1.00 0.00 H new ATOM 0 HA ILE A 937 5.668 12.094 3.166 1.00 0.00 H new ATOM 0 HB ILE A 937 7.589 9.790 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 937 5.647 10.311 5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 937 5.066 9.583 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 937 8.432 10.565 5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 937 8.749 11.739 3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 937 7.430 12.029 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.741 7.842 5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 937 6.790 7.793 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 937 7.380 8.532 5.444 1.00 0.00 H new ATOM 360 N GLU A 938 8.286 11.802 1.194 1.00 0.00 N ATOM 361 CA GLU A 938 9.291 12.568 0.477 1.00 0.00 C ATOM 362 C GLU A 938 8.697 13.887 -0.022 1.00 0.00 C ATOM 363 O GLU A 938 9.311 14.943 0.123 1.00 0.00 O ATOM 364 CB GLU A 938 9.875 11.757 -0.682 1.00 0.00 C ATOM 365 CG GLU A 938 11.349 11.431 -0.435 1.00 0.00 C ATOM 366 CD GLU A 938 11.520 9.983 0.030 1.00 0.00 C ATOM 367 OE1 GLU A 938 11.390 9.760 1.253 1.00 0.00 O ATOM 368 OE2 GLU A 938 11.777 9.132 -0.849 1.00 0.00 O ATOM 0 H GLU A 938 8.393 10.790 1.127 1.00 0.00 H new ATOM 0 HA GLU A 938 10.105 12.796 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.310 10.833 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.774 12.318 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.919 11.593 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.754 12.108 0.317 1.00 0.00 H new ATOM 375 N MET A 939 7.509 13.784 -0.600 1.00 0.00 N ATOM 376 CA MET A 939 6.826 14.955 -1.121 1.00 0.00 C ATOM 377 C MET A 939 6.793 16.078 -0.082 1.00 0.00 C ATOM 378 O MET A 939 7.472 17.092 -0.237 1.00 0.00 O ATOM 379 CB MET A 939 5.395 14.580 -1.512 1.00 0.00 C ATOM 380 CG MET A 939 4.528 15.828 -1.683 1.00 0.00 C ATOM 381 SD MET A 939 3.423 15.620 -3.070 1.00 0.00 S ATOM 382 CE MET A 939 2.953 13.914 -2.837 1.00 0.00 C ATOM 0 H MET A 939 7.002 12.907 -0.719 1.00 0.00 H new ATOM 0 HA MET A 939 7.370 15.310 -1.996 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.406 14.010 -2.441 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.963 13.935 -0.747 1.00 0.00 H new ATOM 0 HG2 MET A 939 3.954 16.009 -0.774 1.00 0.00 H new ATOM 0 HG3 MET A 939 5.161 16.702 -1.840 1.00 0.00 H new ATOM 0 HE1 MET A 939 1.981 13.738 -3.298 1.00 0.00 H new ATOM 0 HE2 MET A 939 3.697 13.265 -3.300 1.00 0.00 H new ATOM 0 HE3 MET A 939 2.894 13.695 -1.771 1.00 0.00 H new ATOM 392 N SER A 940 5.997 15.859 0.954 1.00 0.00 N ATOM 393 CA SER A 940 5.867 16.840 2.018 1.00 0.00 C ATOM 394 C SER A 940 7.227 17.477 2.312 1.00 0.00 C ATOM 395 O SER A 940 7.303 18.657 2.649 1.00 0.00 O ATOM 396 CB SER A 940 5.294 16.204 3.286 1.00 0.00 C ATOM 397 OG SER A 940 6.221 15.316 3.904 1.00 0.00 O ATOM 0 H SER A 940 5.436 15.017 1.079 1.00 0.00 H new ATOM 0 HA SER A 940 5.174 17.614 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 940 5.017 16.988 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 940 4.382 15.661 3.039 1.00 0.00 H new ATOM 0 HG SER A 940 6.473 14.613 3.270 1.00 0.00 H new ATOM 403 N SER A 941 8.266 16.667 2.173 1.00 0.00 N ATOM 404 CA SER A 941 9.619 17.137 2.419 1.00 0.00 C ATOM 405 C SER A 941 9.995 18.209 1.394 1.00 0.00 C ATOM 406 O SER A 941 10.484 19.277 1.759 1.00 0.00 O ATOM 407 CB SER A 941 10.621 15.981 2.371 1.00 0.00 C ATOM 408 OG SER A 941 10.085 14.787 2.933 1.00 0.00 O ATOM 0 H SER A 941 8.198 15.688 1.893 1.00 0.00 H new ATOM 0 HA SER A 941 9.654 17.571 3.418 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.912 15.796 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 941 11.525 16.262 2.911 1.00 0.00 H new ATOM 0 HG SER A 941 10.754 14.073 2.882 1.00 0.00 H new ATOM 414 N LYS A 942 9.753 17.886 0.132 1.00 0.00 N ATOM 415 CA LYS A 942 10.060 18.808 -0.948 1.00 0.00 C ATOM 416 C LYS A 942 8.767 19.464 -1.436 1.00 0.00 C ATOM 417 O LYS A 942 8.690 19.919 -2.577 1.00 0.00 O ATOM 418 CB LYS A 942 10.844 18.097 -2.053 1.00 0.00 C ATOM 419 CG LYS A 942 10.143 16.805 -2.478 1.00 0.00 C ATOM 420 CD LYS A 942 10.076 16.692 -4.002 1.00 0.00 C ATOM 421 CE LYS A 942 8.661 16.341 -4.464 1.00 0.00 C ATOM 422 NZ LYS A 942 8.564 14.900 -4.787 1.00 0.00 N ATOM 0 H LYS A 942 9.348 16.999 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 942 10.709 19.608 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 942 10.948 18.758 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.851 17.870 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.676 15.947 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 942 9.135 16.781 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.387 17.634 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.774 15.928 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 942 7.944 16.594 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.400 16.935 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 7.597 14.678 -5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.235 14.669 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 8.792 14.339 -3.942 1.00 0.00 H new ATOM 436 N ILE A 943 7.784 19.493 -0.548 1.00 0.00 N ATOM 437 CA ILE A 943 6.499 20.087 -0.875 1.00 0.00 C ATOM 438 C ILE A 943 6.488 21.549 -0.424 1.00 0.00 C ATOM 439 O ILE A 943 6.153 22.440 -1.203 1.00 0.00 O ATOM 440 CB ILE A 943 5.359 19.253 -0.285 1.00 0.00 C ATOM 441 CG1 ILE A 943 4.220 19.091 -1.294 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.873 19.846 1.038 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.229 20.252 -1.192 1.00 0.00 C ATOM 0 H ILE A 943 7.852 19.115 0.397 1.00 0.00 H new ATOM 0 HA ILE A 943 6.341 20.085 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 943 5.742 18.256 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.628 19.044 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.702 18.149 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 943 4.063 19.234 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.696 19.866 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.513 20.861 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.429 20.113 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.805 20.281 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.745 21.190 -1.395 1.00 0.00 H new ATOM 455 N GLN A 944 6.858 21.750 0.832 1.00 0.00 N ATOM 456 CA GLN A 944 6.894 23.089 1.396 1.00 0.00 C ATOM 457 C GLN A 944 7.514 24.069 0.397 1.00 0.00 C ATOM 458 O GLN A 944 6.919 25.097 0.080 1.00 0.00 O ATOM 459 CB GLN A 944 7.655 23.105 2.723 1.00 0.00 C ATOM 460 CG GLN A 944 6.705 23.358 3.896 1.00 0.00 C ATOM 461 CD GLN A 944 7.338 24.302 4.920 1.00 0.00 C ATOM 462 OE1 GLN A 944 7.608 23.940 6.053 1.00 0.00 O ATOM 463 NE2 GLN A 944 7.560 25.530 4.459 1.00 0.00 N ATOM 0 H GLN A 944 7.135 21.008 1.475 1.00 0.00 H new ATOM 0 HA GLN A 944 5.870 23.405 1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 944 8.168 22.153 2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.422 23.879 2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.773 23.787 3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 944 6.453 22.412 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 944 7.310 25.767 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 944 7.980 26.234 5.066 1.00 0.00 H new ATOM 472 N PRO A 945 8.734 23.705 -0.083 1.00 0.00 N ATOM 473 CA PRO A 945 9.441 24.540 -1.039 1.00 0.00 C ATOM 474 C PRO A 945 8.820 24.425 -2.433 1.00 0.00 C ATOM 475 O PRO A 945 8.501 25.434 -3.059 1.00 0.00 O ATOM 476 CB PRO A 945 10.883 24.060 -0.990 1.00 0.00 C ATOM 477 CG PRO A 945 10.840 22.677 -0.359 1.00 0.00 C ATOM 478 CD PRO A 945 9.469 22.494 0.271 1.00 0.00 C ATOM 0 HA PRO A 945 9.380 25.601 -0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.316 24.020 -1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.501 24.739 -0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 945 11.020 21.909 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.622 22.576 0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.972 21.603 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.542 22.377 1.352 1.00 0.00 H new ATOM 486 N ALA A 946 8.667 23.186 -2.877 1.00 0.00 N ATOM 487 CA ALA A 946 8.090 22.925 -4.184 1.00 0.00 C ATOM 488 C ALA A 946 7.051 24.003 -4.502 1.00 0.00 C ATOM 489 O ALA A 946 6.158 24.266 -3.698 1.00 0.00 O ATOM 490 CB ALA A 946 7.494 21.516 -4.208 1.00 0.00 C ATOM 0 H ALA A 946 8.933 22.352 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 946 8.857 22.967 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 946 7.061 21.321 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.278 20.786 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.718 21.436 -3.447 1.00 0.00 H new ATOM 496 N PRO A 947 7.207 24.614 -5.707 1.00 0.00 N ATOM 497 CA PRO A 947 6.294 25.657 -6.142 1.00 0.00 C ATOM 498 C PRO A 947 4.951 25.064 -6.576 1.00 0.00 C ATOM 499 O PRO A 947 4.778 23.847 -6.578 1.00 0.00 O ATOM 500 CB PRO A 947 7.020 26.372 -7.269 1.00 0.00 C ATOM 501 CG PRO A 947 8.108 25.418 -7.735 1.00 0.00 C ATOM 502 CD PRO A 947 8.253 24.328 -6.685 1.00 0.00 C ATOM 0 HA PRO A 947 6.042 26.355 -5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.336 26.613 -8.083 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.448 27.313 -6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.848 24.985 -8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 947 9.051 25.949 -7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 947 8.126 23.338 -7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.241 24.350 -6.226 1.00 0.00 H new ATOM 510 N PRO A 948 4.013 25.977 -6.944 1.00 0.00 N ATOM 511 CA PRO A 948 2.692 25.557 -7.380 1.00 0.00 C ATOM 512 C PRO A 948 2.738 24.983 -8.797 1.00 0.00 C ATOM 513 O PRO A 948 1.840 24.247 -9.203 1.00 0.00 O ATOM 514 CB PRO A 948 1.828 26.803 -7.273 1.00 0.00 C ATOM 515 CG PRO A 948 2.793 27.977 -7.228 1.00 0.00 C ATOM 516 CD PRO A 948 4.183 27.427 -6.955 1.00 0.00 C ATOM 0 HA PRO A 948 2.285 24.751 -6.769 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.153 26.885 -8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.208 26.773 -6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.776 28.521 -8.172 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.501 28.681 -6.449 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.890 27.737 -7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.571 27.787 -6.002 1.00 0.00 H new ATOM 524 N GLU A 949 3.796 25.340 -9.512 1.00 0.00 N ATOM 525 CA GLU A 949 3.972 24.869 -10.875 1.00 0.00 C ATOM 526 C GLU A 949 4.642 23.494 -10.879 1.00 0.00 C ATOM 527 O GLU A 949 4.703 22.832 -11.914 1.00 0.00 O ATOM 528 CB GLU A 949 4.776 25.873 -11.702 1.00 0.00 C ATOM 529 CG GLU A 949 3.850 26.823 -12.464 1.00 0.00 C ATOM 530 CD GLU A 949 4.192 26.844 -13.955 1.00 0.00 C ATOM 531 OE1 GLU A 949 4.007 25.786 -14.595 1.00 0.00 O ATOM 532 OE2 GLU A 949 4.630 27.918 -14.422 1.00 0.00 O ATOM 0 H GLU A 949 4.540 25.950 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 949 2.989 24.774 -11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.432 26.447 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.415 25.340 -12.406 1.00 0.00 H new ATOM 0 HG2 GLU A 949 2.814 26.512 -12.329 1.00 0.00 H new ATOM 0 HG3 GLU A 949 3.937 27.829 -12.053 1.00 0.00 H new ATOM 539 N GLU A 950 5.128 23.104 -9.710 1.00 0.00 N ATOM 540 CA GLU A 950 5.791 21.819 -9.566 1.00 0.00 C ATOM 541 C GLU A 950 5.017 20.929 -8.591 1.00 0.00 C ATOM 542 O GLU A 950 5.385 19.776 -8.373 1.00 0.00 O ATOM 543 CB GLU A 950 7.241 21.999 -9.111 1.00 0.00 C ATOM 544 CG GLU A 950 8.207 21.303 -10.072 1.00 0.00 C ATOM 545 CD GLU A 950 9.165 22.310 -10.711 1.00 0.00 C ATOM 546 OE1 GLU A 950 10.109 22.723 -10.003 1.00 0.00 O ATOM 547 OE2 GLU A 950 8.932 22.645 -11.892 1.00 0.00 O ATOM 0 H GLU A 950 5.076 23.655 -8.853 1.00 0.00 H new ATOM 0 HA GLU A 950 5.808 21.329 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.479 23.061 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.364 21.592 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.776 20.544 -9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.644 20.788 -10.850 1.00 0.00 H new ATOM 554 N TYR A 951 3.959 21.497 -8.032 1.00 0.00 N ATOM 555 CA TYR A 951 3.130 20.770 -7.087 1.00 0.00 C ATOM 556 C TYR A 951 1.962 20.082 -7.797 1.00 0.00 C ATOM 557 O TYR A 951 1.627 18.940 -7.486 1.00 0.00 O ATOM 558 CB TYR A 951 2.577 21.816 -6.118 1.00 0.00 C ATOM 559 CG TYR A 951 1.824 21.224 -4.925 1.00 0.00 C ATOM 560 CD1 TYR A 951 1.795 19.857 -4.737 1.00 0.00 C ATOM 561 CD2 TYR A 951 1.173 22.056 -4.038 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.085 19.299 -3.615 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.463 21.499 -2.915 1.00 0.00 C ATOM 564 CZ TYR A 951 0.455 20.148 -2.759 1.00 0.00 C ATOM 565 OH TYR A 951 -0.215 19.621 -1.700 1.00 0.00 O ATOM 0 H TYR A 951 3.657 22.454 -8.216 1.00 0.00 H new ATOM 0 HA TYR A 951 3.711 19.999 -6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.402 22.425 -5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 951 1.908 22.482 -6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 951 2.305 19.206 -5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 951 1.196 23.126 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.054 18.231 -3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.051 22.139 -2.213 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.615 20.344 -1.173 1.00 0.00 H new ATOM 575 N VAL A 952 1.375 20.806 -8.738 1.00 0.00 N ATOM 576 CA VAL A 952 0.252 20.281 -9.495 1.00 0.00 C ATOM 577 C VAL A 952 0.608 18.892 -10.030 1.00 0.00 C ATOM 578 O VAL A 952 -0.179 17.954 -9.904 1.00 0.00 O ATOM 579 CB VAL A 952 -0.141 21.264 -10.600 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.552 20.522 -11.873 1.00 0.00 C ATOM 581 CG2 VAL A 952 -1.253 22.203 -10.129 1.00 0.00 C ATOM 0 H VAL A 952 1.656 21.753 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.622 20.169 -8.853 1.00 0.00 H new ATOM 0 HB VAL A 952 0.733 21.872 -10.834 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.826 21.244 -12.642 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.282 19.915 -12.226 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.405 19.878 -11.659 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.513 22.891 -10.933 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.131 21.618 -9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.909 22.770 -9.264 1.00 0.00 H new ATOM 591 N PRO A 953 1.825 18.802 -10.629 1.00 0.00 N ATOM 592 CA PRO A 953 2.295 17.543 -11.183 1.00 0.00 C ATOM 593 C PRO A 953 2.732 16.585 -10.074 1.00 0.00 C ATOM 594 O PRO A 953 2.288 15.438 -10.028 1.00 0.00 O ATOM 595 CB PRO A 953 3.429 17.925 -12.120 1.00 0.00 C ATOM 596 CG PRO A 953 3.859 19.323 -11.706 1.00 0.00 C ATOM 597 CD PRO A 953 2.783 19.891 -10.796 1.00 0.00 C ATOM 0 HA PRO A 953 1.516 17.003 -11.721 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.257 17.221 -12.038 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.099 17.909 -13.159 1.00 0.00 H new ATOM 0 HG2 PRO A 953 4.818 19.290 -11.189 1.00 0.00 H new ATOM 0 HG3 PRO A 953 3.991 19.957 -12.583 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.199 20.203 -9.838 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.312 20.768 -11.240 1.00 0.00 H new ATOM 605 N MET A 954 3.597 17.090 -9.206 1.00 0.00 N ATOM 606 CA MET A 954 4.099 16.293 -8.099 1.00 0.00 C ATOM 607 C MET A 954 3.044 15.293 -7.622 1.00 0.00 C ATOM 608 O MET A 954 3.309 14.094 -7.548 1.00 0.00 O ATOM 609 CB MET A 954 4.489 17.215 -6.943 1.00 0.00 C ATOM 610 CG MET A 954 5.985 17.107 -6.636 1.00 0.00 C ATOM 611 SD MET A 954 6.592 18.661 -6.003 1.00 0.00 S ATOM 612 CE MET A 954 5.449 18.914 -4.655 1.00 0.00 C ATOM 0 H MET A 954 3.963 18.041 -9.247 1.00 0.00 H new ATOM 0 HA MET A 954 4.971 15.736 -8.441 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.239 18.246 -7.195 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.912 16.955 -6.055 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.159 16.315 -5.907 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.531 16.835 -7.539 1.00 0.00 H new ATOM 0 HE1 MET A 954 4.853 19.806 -4.846 1.00 0.00 H new ATOM 0 HE2 MET A 954 4.791 18.049 -4.569 1.00 0.00 H new ATOM 0 HE3 MET A 954 6.005 19.041 -3.726 1.00 0.00 H new ATOM 622 N VAL A 955 1.871 15.822 -7.309 1.00 0.00 N ATOM 623 CA VAL A 955 0.776 14.991 -6.840 1.00 0.00 C ATOM 624 C VAL A 955 0.313 14.077 -7.976 1.00 0.00 C ATOM 625 O VAL A 955 0.185 12.867 -7.791 1.00 0.00 O ATOM 626 CB VAL A 955 -0.347 15.869 -6.284 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.626 15.056 -6.074 1.00 0.00 C ATOM 628 CG2 VAL A 955 0.085 16.556 -4.987 1.00 0.00 C ATOM 0 H VAL A 955 1.655 16.817 -7.371 1.00 0.00 H new ATOM 0 HA VAL A 955 1.106 14.351 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.560 16.645 -7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.408 15.704 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -1.950 14.636 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.432 14.249 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.731 17.174 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.339 15.801 -4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.955 17.183 -5.180 1.00 0.00 H new ATOM 638 N LYS A 956 0.074 14.690 -9.126 1.00 0.00 N ATOM 639 CA LYS A 956 -0.372 13.946 -10.292 1.00 0.00 C ATOM 640 C LYS A 956 0.378 12.614 -10.360 1.00 0.00 C ATOM 641 O LYS A 956 -0.197 11.591 -10.727 1.00 0.00 O ATOM 642 CB LYS A 956 -0.232 14.796 -11.556 1.00 0.00 C ATOM 643 CG LYS A 956 -1.290 15.900 -11.595 1.00 0.00 C ATOM 644 CD LYS A 956 -2.616 15.370 -12.146 1.00 0.00 C ATOM 645 CE LYS A 956 -2.658 15.478 -13.671 1.00 0.00 C ATOM 646 NZ LYS A 956 -3.532 16.598 -14.087 1.00 0.00 N ATOM 0 H LYS A 956 0.181 15.693 -9.275 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.433 13.711 -10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.763 15.240 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.330 14.162 -12.437 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.442 16.298 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -0.938 16.724 -12.215 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -2.748 14.330 -11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -3.444 15.933 -11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -1.651 15.631 -14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -3.025 14.545 -14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -3.550 16.658 -15.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -4.496 16.436 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -3.165 17.489 -13.695 1.00 0.00 H new ATOM 660 N GLU A 957 1.652 12.670 -10.000 1.00 0.00 N ATOM 661 CA GLU A 957 2.487 11.482 -10.015 1.00 0.00 C ATOM 662 C GLU A 957 1.993 10.472 -8.977 1.00 0.00 C ATOM 663 O GLU A 957 1.605 9.358 -9.324 1.00 0.00 O ATOM 664 CB GLU A 957 3.955 11.840 -9.777 1.00 0.00 C ATOM 665 CG GLU A 957 4.866 11.104 -10.762 1.00 0.00 C ATOM 666 CD GLU A 957 4.933 9.610 -10.436 1.00 0.00 C ATOM 667 OE1 GLU A 957 5.734 9.260 -9.542 1.00 0.00 O ATOM 668 OE2 GLU A 957 4.182 8.853 -11.088 1.00 0.00 O ATOM 0 H GLU A 957 2.126 13.520 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 957 2.415 11.024 -11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 957 4.092 12.916 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.235 11.583 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 957 4.496 11.242 -11.778 1.00 0.00 H new ATOM 0 HG3 GLU A 957 5.867 11.533 -10.727 1.00 0.00 H new ATOM 675 N VAL A 958 2.024 10.899 -7.723 1.00 0.00 N ATOM 676 CA VAL A 958 1.584 10.047 -6.631 1.00 0.00 C ATOM 677 C VAL A 958 0.266 9.372 -7.016 1.00 0.00 C ATOM 678 O VAL A 958 0.089 8.175 -6.794 1.00 0.00 O ATOM 679 CB VAL A 958 1.485 10.860 -5.339 1.00 0.00 C ATOM 680 CG1 VAL A 958 0.041 11.292 -5.073 1.00 0.00 C ATOM 681 CG2 VAL A 958 2.051 10.077 -4.153 1.00 0.00 C ATOM 0 H VAL A 958 2.347 11.824 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 958 2.312 9.257 -6.446 1.00 0.00 H new ATOM 0 HB VAL A 958 2.087 11.760 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.002 11.868 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.313 11.906 -5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -0.592 10.409 -4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 958 1.968 10.678 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 958 1.489 9.151 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 958 3.099 9.843 -4.339 1.00 0.00 H new ATOM 691 N GLY A 959 -0.626 10.170 -7.586 1.00 0.00 N ATOM 692 CA GLY A 959 -1.922 9.665 -8.004 1.00 0.00 C ATOM 693 C GLY A 959 -1.768 8.476 -8.955 1.00 0.00 C ATOM 694 O GLY A 959 -2.506 7.497 -8.856 1.00 0.00 O ATOM 0 H GLY A 959 -0.476 11.162 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.498 9.363 -7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.484 10.459 -8.497 1.00 0.00 H new ATOM 698 N LEU A 960 -0.803 8.601 -9.855 1.00 0.00 N ATOM 699 CA LEU A 960 -0.543 7.549 -10.823 1.00 0.00 C ATOM 700 C LEU A 960 -0.123 6.276 -10.085 1.00 0.00 C ATOM 701 O LEU A 960 -0.689 5.208 -10.311 1.00 0.00 O ATOM 702 CB LEU A 960 0.474 8.020 -11.865 1.00 0.00 C ATOM 703 CG LEU A 960 0.068 7.837 -13.329 1.00 0.00 C ATOM 704 CD1 LEU A 960 1.092 8.479 -14.266 1.00 0.00 C ATOM 705 CD2 LEU A 960 -0.159 6.359 -13.654 1.00 0.00 C ATOM 0 H LEU A 960 -0.192 9.414 -9.934 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.449 7.311 -11.380 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.676 9.077 -11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.409 7.486 -11.698 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.880 8.351 -13.488 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.780 8.335 -15.300 1.00 0.00 H new ATOM 0 HD12 LEU A 960 1.161 9.546 -14.053 1.00 0.00 H new ATOM 0 HD13 LEU A 960 2.066 8.015 -14.113 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -0.447 6.257 -14.700 1.00 0.00 H new ATOM 0 HD22 LEU A 960 0.760 5.802 -13.474 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.953 5.965 -13.019 1.00 0.00 H new ATOM 717 N ALA A 961 0.867 6.432 -9.218 1.00 0.00 N ATOM 718 CA ALA A 961 1.370 5.308 -8.446 1.00 0.00 C ATOM 719 C ALA A 961 0.194 4.440 -7.993 1.00 0.00 C ATOM 720 O ALA A 961 0.126 3.258 -8.327 1.00 0.00 O ATOM 721 CB ALA A 961 2.199 5.827 -7.270 1.00 0.00 C ATOM 0 H ALA A 961 1.334 7.320 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 961 2.024 4.685 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.576 4.984 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.037 6.413 -7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 961 1.575 6.454 -6.634 1.00 0.00 H new ATOM 727 N LEU A 962 -0.702 5.060 -7.240 1.00 0.00 N ATOM 728 CA LEU A 962 -1.871 4.358 -6.738 1.00 0.00 C ATOM 729 C LEU A 962 -2.471 3.508 -7.859 1.00 0.00 C ATOM 730 O LEU A 962 -2.637 2.299 -7.705 1.00 0.00 O ATOM 731 CB LEU A 962 -2.862 5.345 -6.117 1.00 0.00 C ATOM 732 CG LEU A 962 -2.549 5.803 -4.691 1.00 0.00 C ATOM 733 CD1 LEU A 962 -2.804 4.678 -3.685 1.00 0.00 C ATOM 734 CD2 LEU A 962 -1.123 6.348 -4.591 1.00 0.00 C ATOM 0 H LEU A 962 -0.642 6.040 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.590 3.675 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.916 6.226 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.851 4.887 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.225 6.620 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -2.574 5.030 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -3.850 4.377 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -2.170 3.825 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -0.926 6.667 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.415 5.568 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.010 7.198 -5.264 1.00 0.00 H new ATOM 746 N ARG A 963 -2.780 4.173 -8.962 1.00 0.00 N ATOM 747 CA ARG A 963 -3.358 3.494 -10.109 1.00 0.00 C ATOM 748 C ARG A 963 -2.596 2.199 -10.399 1.00 0.00 C ATOM 749 O ARG A 963 -3.190 1.123 -10.452 1.00 0.00 O ATOM 750 CB ARG A 963 -3.326 4.385 -11.352 1.00 0.00 C ATOM 751 CG ARG A 963 -4.343 3.912 -12.393 1.00 0.00 C ATOM 752 CD ARG A 963 -5.452 4.948 -12.586 1.00 0.00 C ATOM 753 NE ARG A 963 -5.042 5.945 -13.600 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.810 6.967 -14.001 1.00 0.00 C ATOM 755 NH1 ARG A 963 -7.032 7.133 -13.477 1.00 0.00 N ATOM 756 NH2 ARG A 963 -5.356 7.823 -14.927 1.00 0.00 N ATOM 0 H ARG A 963 -2.641 5.176 -9.086 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.396 3.264 -9.868 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -3.541 5.416 -11.070 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -2.326 4.375 -11.785 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -3.840 3.732 -13.343 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -4.777 2.963 -12.077 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.372 4.454 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -5.665 5.446 -11.640 1.00 0.00 H new ATOM 0 HE ARG A 963 -4.117 5.848 -14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -7.378 6.481 -12.773 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -7.616 7.911 -13.782 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -4.426 7.696 -15.326 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -5.941 8.601 -15.232 1.00 0.00 H new ATOM 770 N THR A 964 -1.291 2.346 -10.578 1.00 0.00 N ATOM 771 CA THR A 964 -0.441 1.202 -10.861 1.00 0.00 C ATOM 772 C THR A 964 -0.482 0.207 -9.699 1.00 0.00 C ATOM 773 O THR A 964 -0.501 -1.004 -9.914 1.00 0.00 O ATOM 774 CB THR A 964 0.965 1.722 -11.167 1.00 0.00 C ATOM 775 OG1 THR A 964 0.846 2.303 -12.462 1.00 0.00 O ATOM 776 CG2 THR A 964 1.978 0.592 -11.358 1.00 0.00 C ATOM 0 H THR A 964 -0.802 3.240 -10.532 1.00 0.00 H new ATOM 0 HA THR A 964 -0.796 0.651 -11.732 1.00 0.00 H new ATOM 0 HB THR A 964 1.295 2.373 -10.358 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.713 2.667 -12.738 1.00 0.00 H new ATOM 0 HG21 THR A 964 2.959 1.015 -11.573 1.00 0.00 H new ATOM 0 HG22 THR A 964 2.032 -0.006 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.666 -0.040 -12.189 1.00 0.00 H new ATOM 784 N LEU A 965 -0.493 0.755 -8.493 1.00 0.00 N ATOM 785 CA LEU A 965 -0.531 -0.069 -7.297 1.00 0.00 C ATOM 786 C LEU A 965 -1.712 -1.038 -7.388 1.00 0.00 C ATOM 787 O LEU A 965 -1.591 -2.205 -7.018 1.00 0.00 O ATOM 788 CB LEU A 965 -0.551 0.808 -6.043 1.00 0.00 C ATOM 789 CG LEU A 965 -1.205 0.192 -4.804 1.00 0.00 C ATOM 790 CD1 LEU A 965 -0.467 0.609 -3.530 1.00 0.00 C ATOM 791 CD2 LEU A 965 -2.694 0.536 -4.743 1.00 0.00 C ATOM 0 H LEU A 965 -0.476 1.760 -8.318 1.00 0.00 H new ATOM 0 HA LEU A 965 0.373 -0.673 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.476 1.074 -5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.071 1.736 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 965 -1.128 -0.893 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.952 0.158 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 965 0.568 0.272 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -0.491 1.695 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -3.135 0.086 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.816 1.618 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -3.194 0.149 -5.631 1.00 0.00 H new ATOM 803 N LEU A 966 -2.826 -0.519 -7.882 1.00 0.00 N ATOM 804 CA LEU A 966 -4.027 -1.324 -8.026 1.00 0.00 C ATOM 805 C LEU A 966 -3.725 -2.527 -8.920 1.00 0.00 C ATOM 806 O LEU A 966 -3.882 -3.673 -8.500 1.00 0.00 O ATOM 807 CB LEU A 966 -5.191 -0.464 -8.523 1.00 0.00 C ATOM 808 CG LEU A 966 -5.911 0.370 -7.461 1.00 0.00 C ATOM 809 CD1 LEU A 966 -5.173 1.686 -7.206 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.375 0.598 -7.842 1.00 0.00 C ATOM 0 H LEU A 966 -2.922 0.449 -8.188 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.341 -1.717 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.816 0.210 -9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -5.922 -1.117 -9.000 1.00 0.00 H new ATOM 0 HG LEU A 966 -5.906 -0.189 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.705 2.260 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -4.162 1.475 -6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -5.126 2.262 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -7.863 1.193 -7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.425 1.126 -8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -7.881 -0.363 -7.933 1.00 0.00 H new ATOM 822 N ALA A 967 -3.297 -2.227 -10.138 1.00 0.00 N ATOM 823 CA ALA A 967 -2.971 -3.270 -11.096 1.00 0.00 C ATOM 824 C ALA A 967 -2.014 -4.271 -10.447 1.00 0.00 C ATOM 825 O ALA A 967 -2.313 -5.462 -10.371 1.00 0.00 O ATOM 826 CB ALA A 967 -2.385 -2.638 -12.360 1.00 0.00 C ATOM 0 H ALA A 967 -3.168 -1.276 -10.483 1.00 0.00 H new ATOM 0 HA ALA A 967 -3.868 -3.815 -11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.141 -3.421 -13.078 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.115 -1.958 -12.799 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.481 -2.085 -12.105 1.00 0.00 H new ATOM 832 N THR A 968 -0.882 -3.751 -9.995 1.00 0.00 N ATOM 833 CA THR A 968 0.121 -4.585 -9.355 1.00 0.00 C ATOM 834 C THR A 968 -0.520 -5.456 -8.272 1.00 0.00 C ATOM 835 O THR A 968 -0.207 -6.639 -8.156 1.00 0.00 O ATOM 836 CB THR A 968 1.227 -3.671 -8.823 1.00 0.00 C ATOM 837 OG1 THR A 968 0.550 -2.792 -7.929 1.00 0.00 O ATOM 838 CG2 THR A 968 1.790 -2.744 -9.902 1.00 0.00 C ATOM 0 H THR A 968 -0.637 -2.763 -10.059 1.00 0.00 H new ATOM 0 HA THR A 968 0.567 -5.281 -10.065 1.00 0.00 H new ATOM 0 HB THR A 968 2.033 -4.278 -8.410 1.00 0.00 H new ATOM 0 HG1 THR A 968 -0.401 -2.754 -8.165 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.571 -2.117 -9.472 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.209 -3.341 -10.712 1.00 0.00 H new ATOM 0 HG23 THR A 968 0.992 -2.113 -10.292 1.00 0.00 H new ATOM 846 N VAL A 969 -1.407 -4.835 -7.507 1.00 0.00 N ATOM 847 CA VAL A 969 -2.095 -5.539 -6.438 1.00 0.00 C ATOM 848 C VAL A 969 -2.889 -6.705 -7.030 1.00 0.00 C ATOM 849 O VAL A 969 -2.914 -7.795 -6.460 1.00 0.00 O ATOM 850 CB VAL A 969 -2.967 -4.562 -5.647 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.955 -5.312 -4.751 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.107 -3.599 -4.827 1.00 0.00 C ATOM 0 H VAL A 969 -1.665 -3.853 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.378 -5.959 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.542 -3.972 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.563 -4.595 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.601 -5.938 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.406 -5.938 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.752 -2.916 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.494 -4.166 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.462 -3.029 -5.495 1.00 0.00 H new ATOM 862 N ASP A 970 -3.517 -6.436 -8.164 1.00 0.00 N ATOM 863 CA ASP A 970 -4.310 -7.450 -8.839 1.00 0.00 C ATOM 864 C ASP A 970 -3.491 -8.737 -8.956 1.00 0.00 C ATOM 865 O ASP A 970 -4.010 -9.830 -8.733 1.00 0.00 O ATOM 866 CB ASP A 970 -4.691 -7.002 -10.252 1.00 0.00 C ATOM 867 CG ASP A 970 -6.026 -7.544 -10.764 1.00 0.00 C ATOM 868 OD1 ASP A 970 -7.026 -7.376 -10.032 1.00 0.00 O ATOM 869 OD2 ASP A 970 -6.018 -8.115 -11.876 1.00 0.00 O ATOM 0 H ASP A 970 -3.493 -5.531 -8.633 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.216 -7.612 -8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -4.726 -5.913 -10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -3.903 -7.310 -10.939 1.00 0.00 H new ATOM 874 N GLU A 971 -2.224 -8.565 -9.305 1.00 0.00 N ATOM 875 CA GLU A 971 -1.328 -9.700 -9.454 1.00 0.00 C ATOM 876 C GLU A 971 -1.003 -10.302 -8.086 1.00 0.00 C ATOM 877 O GLU A 971 -0.638 -11.473 -7.990 1.00 0.00 O ATOM 878 CB GLU A 971 -0.051 -9.296 -10.194 1.00 0.00 C ATOM 879 CG GLU A 971 -0.336 -9.029 -11.673 1.00 0.00 C ATOM 880 CD GLU A 971 0.911 -9.276 -12.524 1.00 0.00 C ATOM 881 OE1 GLU A 971 1.906 -8.555 -12.296 1.00 0.00 O ATOM 882 OE2 GLU A 971 0.841 -10.181 -13.384 1.00 0.00 O ATOM 0 H GLU A 971 -1.797 -7.657 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 971 -1.830 -10.460 -10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.373 -8.403 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 971 0.694 -10.087 -10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.146 -9.674 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -0.671 -8.000 -11.803 1.00 0.00 H new ATOM 889 N SER A 972 -1.146 -9.475 -7.061 1.00 0.00 N ATOM 890 CA SER A 972 -0.871 -9.911 -5.703 1.00 0.00 C ATOM 891 C SER A 972 -2.099 -10.613 -5.121 1.00 0.00 C ATOM 892 O SER A 972 -1.973 -11.472 -4.248 1.00 0.00 O ATOM 893 CB SER A 972 -0.464 -8.732 -4.817 1.00 0.00 C ATOM 894 OG SER A 972 0.797 -8.946 -4.190 1.00 0.00 O ATOM 0 H SER A 972 -1.449 -8.505 -7.144 1.00 0.00 H new ATOM 0 HA SER A 972 -0.038 -10.613 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.420 -7.824 -5.419 1.00 0.00 H new ATOM 0 HB3 SER A 972 -1.226 -8.572 -4.054 1.00 0.00 H new ATOM 0 HG SER A 972 0.949 -8.251 -3.516 1.00 0.00 H new ATOM 900 N LEU A 973 -3.260 -10.223 -5.627 1.00 0.00 N ATOM 901 CA LEU A 973 -4.510 -10.805 -5.167 1.00 0.00 C ATOM 902 C LEU A 973 -4.330 -12.314 -4.990 1.00 0.00 C ATOM 903 O LEU A 973 -4.612 -12.854 -3.921 1.00 0.00 O ATOM 904 CB LEU A 973 -5.654 -10.428 -6.111 1.00 0.00 C ATOM 905 CG LEU A 973 -6.868 -9.761 -5.460 1.00 0.00 C ATOM 906 CD1 LEU A 973 -8.162 -10.168 -6.169 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.918 -10.058 -3.960 1.00 0.00 C ATOM 0 H LEU A 973 -3.361 -9.511 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.784 -10.400 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.262 -9.757 -6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.990 -11.331 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.766 -8.681 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -9.010 -9.681 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -8.115 -9.864 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.284 -11.250 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.790 -9.572 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.986 -11.135 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -6.014 -9.679 -3.484 1.00 0.00 H new ATOM 919 N PRO A 974 -3.850 -12.968 -6.081 1.00 0.00 N ATOM 920 CA PRO A 974 -3.630 -14.404 -6.056 1.00 0.00 C ATOM 921 C PRO A 974 -2.375 -14.752 -5.252 1.00 0.00 C ATOM 922 O PRO A 974 -2.327 -15.786 -4.587 1.00 0.00 O ATOM 923 CB PRO A 974 -3.532 -14.813 -7.516 1.00 0.00 C ATOM 924 CG PRO A 974 -3.236 -13.536 -8.287 1.00 0.00 C ATOM 925 CD PRO A 974 -3.506 -12.360 -7.363 1.00 0.00 C ATOM 0 HA PRO A 974 -4.435 -14.944 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.743 -15.550 -7.663 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.461 -15.269 -7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.200 -13.526 -8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.862 -13.474 -9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.630 -11.717 -7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.320 -11.740 -7.738 1.00 0.00 H new ATOM 933 N VAL A 975 -1.391 -13.869 -5.340 1.00 0.00 N ATOM 934 CA VAL A 975 -0.140 -14.070 -4.629 1.00 0.00 C ATOM 935 C VAL A 975 -0.439 -14.482 -3.186 1.00 0.00 C ATOM 936 O VAL A 975 0.319 -15.242 -2.584 1.00 0.00 O ATOM 937 CB VAL A 975 0.724 -12.811 -4.725 1.00 0.00 C ATOM 938 CG1 VAL A 975 1.848 -12.837 -3.686 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.287 -12.638 -6.137 1.00 0.00 C ATOM 0 H VAL A 975 -1.435 -13.013 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 975 0.433 -14.877 -5.085 1.00 0.00 H new ATOM 0 HB VAL A 975 0.089 -11.952 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.447 -11.931 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.418 -12.890 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.480 -13.708 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 975 1.897 -11.736 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.900 -13.502 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.466 -12.553 -6.848 1.00 0.00 H new ATOM 949 N LEU A 976 -1.544 -13.962 -2.673 1.00 0.00 N ATOM 950 CA LEU A 976 -1.952 -14.266 -1.312 1.00 0.00 C ATOM 951 C LEU A 976 -3.202 -15.148 -1.343 1.00 0.00 C ATOM 952 O LEU A 976 -3.967 -15.112 -2.306 1.00 0.00 O ATOM 953 CB LEU A 976 -2.128 -12.979 -0.504 1.00 0.00 C ATOM 954 CG LEU A 976 -0.971 -11.980 -0.573 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.378 -12.696 -0.474 1.00 0.00 C ATOM 956 CD2 LEU A 976 -1.068 -11.114 -1.830 1.00 0.00 C ATOM 0 H LEU A 976 -2.170 -13.332 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 976 -1.174 -14.832 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -3.034 -12.479 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.288 -13.248 0.540 1.00 0.00 H new ATOM 0 HG LEU A 976 -1.046 -11.312 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.183 -11.963 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.436 -13.233 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.476 -13.402 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -0.234 -10.413 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -1.033 -11.751 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -2.007 -10.560 -1.819 1.00 0.00 H new ATOM 968 N PRO A 977 -3.375 -15.939 -0.251 1.00 0.00 N ATOM 969 CA PRO A 977 -4.519 -16.829 -0.145 1.00 0.00 C ATOM 970 C PRO A 977 -5.794 -16.046 0.177 1.00 0.00 C ATOM 971 O PRO A 977 -5.825 -14.824 0.047 1.00 0.00 O ATOM 972 CB PRO A 977 -4.144 -17.825 0.940 1.00 0.00 C ATOM 973 CG PRO A 977 -3.009 -17.183 1.721 1.00 0.00 C ATOM 974 CD PRO A 977 -2.490 -16.008 0.908 1.00 0.00 C ATOM 0 HA PRO A 977 -4.740 -17.344 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.995 -18.035 1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.832 -18.775 0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.359 -16.847 2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -2.212 -17.905 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.520 -15.084 1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.454 -16.162 0.606 1.00 0.00 H new ATOM 982 N ALA A 978 -6.814 -16.784 0.591 1.00 0.00 N ATOM 983 CA ALA A 978 -8.088 -16.174 0.932 1.00 0.00 C ATOM 984 C ALA A 978 -7.908 -15.280 2.160 1.00 0.00 C ATOM 985 O ALA A 978 -6.932 -15.419 2.896 1.00 0.00 O ATOM 986 CB ALA A 978 -9.134 -17.268 1.156 1.00 0.00 C ATOM 0 H ALA A 978 -6.784 -17.798 0.698 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.443 -15.545 0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -10.090 -16.811 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -9.246 -17.857 0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.813 -17.917 1.971 1.00 0.00 H new ATOM 992 N SER A 979 -8.864 -14.381 2.344 1.00 0.00 N ATOM 993 CA SER A 979 -8.823 -13.464 3.470 1.00 0.00 C ATOM 994 C SER A 979 -8.027 -12.213 3.097 1.00 0.00 C ATOM 995 O SER A 979 -7.607 -11.456 3.972 1.00 0.00 O ATOM 996 CB SER A 979 -8.213 -14.134 4.704 1.00 0.00 C ATOM 997 OG SER A 979 -8.570 -15.510 4.796 1.00 0.00 O ATOM 0 H SER A 979 -9.672 -14.268 1.732 1.00 0.00 H new ATOM 0 HA SER A 979 -9.846 -13.176 3.714 1.00 0.00 H new ATOM 0 HB2 SER A 979 -7.127 -14.043 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 979 -8.546 -13.612 5.601 1.00 0.00 H new ATOM 0 HG SER A 979 -7.886 -16.056 4.354 1.00 0.00 H new ATOM 1003 N THR A 980 -7.842 -12.033 1.798 1.00 0.00 N ATOM 1004 CA THR A 980 -7.103 -10.886 1.298 1.00 0.00 C ATOM 1005 C THR A 980 -8.013 -9.993 0.452 1.00 0.00 C ATOM 1006 O THR A 980 -8.151 -8.802 0.728 1.00 0.00 O ATOM 1007 CB THR A 980 -5.882 -11.405 0.537 1.00 0.00 C ATOM 1008 OG1 THR A 980 -6.361 -12.565 -0.139 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.794 -11.940 1.469 1.00 0.00 C ATOM 0 H THR A 980 -8.191 -12.663 1.076 1.00 0.00 H new ATOM 0 HA THR A 980 -6.750 -10.256 2.115 1.00 0.00 H new ATOM 0 HB THR A 980 -5.471 -10.604 -0.078 1.00 0.00 H new ATOM 0 HG1 THR A 980 -5.866 -13.352 0.171 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.951 -12.296 0.877 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.461 -11.143 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 980 -5.194 -12.763 2.061 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.609 -10.602 -0.562 1.00 0.00 N ATOM 1018 CA HIS A 981 -9.502 -9.878 -1.450 1.00 0.00 C ATOM 1019 C HIS A 981 -10.477 -9.037 -0.624 1.00 0.00 C ATOM 1020 O HIS A 981 -11.047 -8.069 -1.125 1.00 0.00 O ATOM 1021 CB HIS A 981 -10.211 -10.836 -2.409 1.00 0.00 C ATOM 1022 CG HIS A 981 -10.770 -12.070 -1.742 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -11.957 -12.064 -1.030 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -10.294 -13.347 -1.687 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -12.175 -13.288 -0.571 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -11.143 -14.081 -0.978 1.00 0.00 N ATOM 0 H HIS A 981 -8.491 -11.589 -0.789 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.924 -9.195 -2.073 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -11.023 -10.303 -2.904 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -9.510 -11.141 -3.186 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -9.381 -13.701 -2.143 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -13.022 -13.602 0.021 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -11.040 -15.075 -0.772 1.00 0.00 H new ATOM 1034 N ARG A 982 -10.639 -9.437 0.629 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.535 -8.733 1.529 1.00 0.00 C ATOM 1036 C ARG A 982 -10.829 -7.522 2.143 1.00 0.00 C ATOM 1037 O ARG A 982 -11.166 -6.380 1.836 1.00 0.00 O ATOM 1038 CB ARG A 982 -12.024 -9.652 2.651 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.176 -9.009 3.424 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.529 -9.455 2.865 1.00 0.00 C ATOM 1041 NE ARG A 982 -14.771 -10.876 3.200 1.00 0.00 N ATOM 1042 CZ ARG A 982 -15.910 -11.528 2.931 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -16.919 -10.890 2.321 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -16.041 -12.817 3.271 1.00 0.00 N ATOM 0 H ARG A 982 -10.164 -10.240 1.042 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.394 -8.400 0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -12.350 -10.603 2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -11.201 -9.870 3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -13.107 -9.279 4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.095 -7.923 3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -15.325 -8.835 3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -14.548 -9.319 1.784 1.00 0.00 H new ATOM 0 HE ARG A 982 -14.024 -11.391 3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -16.819 -9.909 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -17.786 -11.386 2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -15.273 -13.303 3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -16.908 -13.313 3.066 1.00 0.00 H new ATOM 1058 N GLU A 983 -9.860 -7.814 2.999 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.103 -6.764 3.658 1.00 0.00 C ATOM 1060 C GLU A 983 -8.357 -5.918 2.624 1.00 0.00 C ATOM 1061 O GLU A 983 -8.305 -4.694 2.739 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.134 -7.349 4.687 1.00 0.00 C ATOM 1063 CG GLU A 983 -8.283 -6.650 6.040 1.00 0.00 C ATOM 1064 CD GLU A 983 -8.291 -7.666 7.185 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -9.211 -8.511 7.187 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -7.376 -7.573 8.031 1.00 0.00 O ATOM 0 H GLU A 983 -9.582 -8.763 3.251 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.803 -6.120 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -8.322 -8.417 4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.110 -7.242 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -7.464 -5.945 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -9.207 -6.073 6.055 1.00 0.00 H new ATOM 1073 N ILE A 984 -7.800 -6.603 1.636 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.060 -5.930 0.583 1.00 0.00 C ATOM 1075 C ILE A 984 -7.961 -4.887 -0.081 1.00 0.00 C ATOM 1076 O ILE A 984 -7.612 -3.709 -0.144 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.474 -6.950 -0.396 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.470 -7.868 0.303 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -5.862 -6.253 -1.613 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.532 -8.527 -0.709 1.00 0.00 C ATOM 0 H ILE A 984 -7.847 -7.618 1.543 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.206 -5.395 0.999 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.286 -7.579 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.888 -7.294 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -6.003 -8.636 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.453 -7.000 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -6.631 -5.677 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.065 -5.584 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.829 -9.174 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.115 -9.120 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -3.982 -7.757 -1.251 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.103 -5.358 -0.560 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.057 -4.481 -1.217 1.00 0.00 C ATOM 1094 C GLU A 985 -10.380 -3.283 -0.323 1.00 0.00 C ATOM 1095 O GLU A 985 -10.443 -2.149 -0.796 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.330 -5.241 -1.597 1.00 0.00 C ATOM 1097 CG GLU A 985 -12.103 -4.503 -2.692 1.00 0.00 C ATOM 1098 CD GLU A 985 -13.039 -3.453 -2.090 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.970 -3.870 -1.367 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -12.802 -2.257 -2.366 1.00 0.00 O ATOM 0 H GLU A 985 -9.389 -6.336 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.606 -4.111 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.071 -6.242 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -11.963 -5.360 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -11.403 -4.022 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -12.681 -5.217 -3.278 1.00 0.00 H new ATOM 1107 N MET A 986 -10.577 -3.575 0.955 1.00 0.00 N ATOM 1108 CA MET A 986 -10.892 -2.535 1.920 1.00 0.00 C ATOM 1109 C MET A 986 -9.683 -1.630 2.165 1.00 0.00 C ATOM 1110 O MET A 986 -9.839 -0.462 2.519 1.00 0.00 O ATOM 1111 CB MET A 986 -11.325 -3.178 3.239 1.00 0.00 C ATOM 1112 CG MET A 986 -12.775 -3.661 3.163 1.00 0.00 C ATOM 1113 SD MET A 986 -13.580 -3.427 4.739 1.00 0.00 S ATOM 1114 CE MET A 986 -15.056 -2.574 4.209 1.00 0.00 C ATOM 0 H MET A 986 -10.525 -4.516 1.344 1.00 0.00 H new ATOM 0 HA MET A 986 -11.702 -1.926 1.519 1.00 0.00 H new ATOM 0 HB2 MET A 986 -10.670 -4.018 3.471 1.00 0.00 H new ATOM 0 HB3 MET A 986 -11.220 -2.458 4.051 1.00 0.00 H new ATOM 0 HG2 MET A 986 -13.309 -3.112 2.387 1.00 0.00 H new ATOM 0 HG3 MET A 986 -12.802 -4.714 2.884 1.00 0.00 H new ATOM 0 HE1 MET A 986 -15.678 -2.350 5.076 1.00 0.00 H new ATOM 0 HE2 MET A 986 -14.780 -1.645 3.710 1.00 0.00 H new ATOM 0 HE3 MET A 986 -15.613 -3.206 3.517 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.505 -2.204 1.969 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.270 -1.464 2.164 1.00 0.00 C ATOM 1126 C ALA A 987 -7.005 -0.589 0.938 1.00 0.00 C ATOM 1127 O ALA A 987 -6.187 0.329 0.990 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.126 -2.442 2.440 1.00 0.00 C ATOM 0 H ALA A 987 -8.380 -3.173 1.677 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.351 -0.805 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.200 -1.886 2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.349 -3.019 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.013 -3.119 1.593 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.713 -0.903 -0.138 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.565 -0.156 -1.375 1.00 0.00 C ATOM 1136 C GLN A 988 -8.453 1.090 -1.353 1.00 0.00 C ATOM 1137 O GLN A 988 -7.998 2.186 -1.676 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.882 -1.034 -2.587 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.825 -2.126 -2.765 1.00 0.00 C ATOM 1140 CD GLN A 988 -6.597 -2.431 -4.247 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -5.497 -2.337 -4.765 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -7.696 -2.802 -4.899 1.00 0.00 N ATOM 0 H GLN A 988 -8.390 -1.665 -0.178 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.527 0.164 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.864 -1.490 -2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -7.928 -0.418 -3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -5.888 -1.809 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -7.142 -3.032 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -8.587 -2.861 -4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -7.648 -3.028 -5.892 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.703 0.879 -0.970 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.659 1.972 -0.902 1.00 0.00 C ATOM 1153 C LYS A 989 -10.116 3.061 0.025 1.00 0.00 C ATOM 1154 O LYS A 989 -10.194 4.247 -0.292 1.00 0.00 O ATOM 1155 CB LYS A 989 -12.039 1.451 -0.497 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.100 2.545 -0.635 1.00 0.00 C ATOM 1157 CD LYS A 989 -13.262 3.321 0.673 1.00 0.00 C ATOM 1158 CE LYS A 989 -14.724 3.713 0.901 1.00 0.00 C ATOM 1159 NZ LYS A 989 -14.903 4.280 2.256 1.00 0.00 N ATOM 0 H LYS A 989 -10.077 -0.032 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.791 2.426 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.307 0.598 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.010 1.096 0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -12.819 3.230 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -14.053 2.098 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -12.911 2.713 1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -12.641 4.217 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.032 4.442 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.364 2.839 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -15.900 4.541 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -14.628 3.573 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -14.307 5.126 2.360 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.578 2.620 1.153 1.00 0.00 N ATOM 1174 CA LEU A 990 -9.023 3.543 2.128 1.00 0.00 C ATOM 1175 C LEU A 990 -7.869 4.319 1.490 1.00 0.00 C ATOM 1176 O LEU A 990 -7.943 5.538 1.342 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.631 2.800 3.407 1.00 0.00 C ATOM 1178 CG LEU A 990 -8.942 3.517 4.722 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -8.630 2.621 5.922 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.209 4.858 4.802 1.00 0.00 C ATOM 0 H LEU A 990 -9.515 1.636 1.413 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.773 4.275 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -9.139 1.836 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -7.561 2.596 3.372 1.00 0.00 H new ATOM 0 HG LEU A 990 -10.010 3.732 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.860 3.155 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -9.234 1.715 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -7.573 2.354 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.447 5.347 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.134 4.689 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.523 5.494 3.975 1.00 0.00 H new ATOM 1192 N LEU A 991 -6.829 3.581 1.129 1.00 0.00 N ATOM 1193 CA LEU A 991 -5.661 4.185 0.510 1.00 0.00 C ATOM 1194 C LEU A 991 -6.105 5.043 -0.677 1.00 0.00 C ATOM 1195 O LEU A 991 -5.653 6.176 -0.831 1.00 0.00 O ATOM 1196 CB LEU A 991 -4.634 3.112 0.144 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.424 3.589 -0.662 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -2.709 4.738 0.051 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -2.478 2.427 -0.970 1.00 0.00 C ATOM 0 H LEU A 991 -6.771 2.570 1.253 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.157 4.849 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -4.274 2.653 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.140 2.332 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 991 -3.780 3.975 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -1.853 5.058 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.398 5.574 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.366 4.402 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -1.627 2.793 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -2.125 1.988 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.007 1.671 -1.549 1.00 0.00 H new ATOM 1211 N ASN A 992 -6.983 4.468 -1.485 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.493 5.166 -2.653 1.00 0.00 C ATOM 1213 C ASN A 992 -8.241 6.423 -2.206 1.00 0.00 C ATOM 1214 O ASN A 992 -8.151 7.466 -2.852 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.471 4.288 -3.436 1.00 0.00 C ATOM 1216 CG ASN A 992 -8.881 4.960 -4.748 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -9.456 6.035 -4.771 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -8.556 4.267 -5.836 1.00 0.00 N ATOM 0 H ASN A 992 -7.354 3.527 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 992 -6.646 5.419 -3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.011 3.323 -3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.356 4.094 -2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -8.788 4.630 -6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -8.074 3.372 -5.746 1.00 0.00 H new ATOM 1225 N SER A 993 -8.961 6.283 -1.103 1.00 0.00 N ATOM 1226 CA SER A 993 -9.724 7.395 -0.561 1.00 0.00 C ATOM 1227 C SER A 993 -8.791 8.565 -0.246 1.00 0.00 C ATOM 1228 O SER A 993 -8.830 9.594 -0.919 1.00 0.00 O ATOM 1229 CB SER A 993 -10.493 6.976 0.693 1.00 0.00 C ATOM 1230 OG SER A 993 -11.339 8.017 1.174 1.00 0.00 O ATOM 0 H SER A 993 -9.032 5.417 -0.570 1.00 0.00 H new ATOM 0 HA SER A 993 -10.450 7.710 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 993 -11.094 6.094 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 993 -9.787 6.693 1.474 1.00 0.00 H new ATOM 0 HG SER A 993 -11.814 7.709 1.974 1.00 0.00 H new ATOM 1236 N ASP A 994 -7.974 8.370 0.779 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.033 9.396 1.192 1.00 0.00 C ATOM 1238 C ASP A 994 -6.196 9.830 -0.013 1.00 0.00 C ATOM 1239 O ASP A 994 -5.638 10.926 -0.024 1.00 0.00 O ATOM 1240 CB ASP A 994 -6.078 8.869 2.265 1.00 0.00 C ATOM 1241 CG ASP A 994 -6.429 9.275 3.698 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.637 9.464 3.955 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -5.480 9.387 4.504 1.00 0.00 O ATOM 0 H ASP A 994 -7.945 7.516 1.336 1.00 0.00 H new ATOM 0 HA ASP A 994 -7.603 10.232 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -6.055 7.781 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.072 9.222 2.039 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.134 8.946 -0.999 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.375 9.224 -2.206 1.00 0.00 C ATOM 1250 C LEU A 995 -6.016 10.398 -2.948 1.00 0.00 C ATOM 1251 O LEU A 995 -5.376 11.427 -3.159 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.240 7.959 -3.056 1.00 0.00 C ATOM 1253 CG LEU A 995 -5.407 8.145 -4.566 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -4.307 9.044 -5.133 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -5.468 6.794 -5.281 1.00 0.00 C ATOM 0 H LEU A 995 -6.597 8.037 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.357 9.523 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.258 7.523 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -5.980 7.235 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 995 -6.357 8.648 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -4.449 9.160 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -4.353 10.022 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.334 8.592 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -5.587 6.954 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -4.546 6.243 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -6.315 6.221 -4.904 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.272 10.205 -3.323 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.006 11.236 -4.037 1.00 0.00 C ATOM 1269 C ALA A 996 -7.978 12.532 -3.224 1.00 0.00 C ATOM 1270 O ALA A 996 -7.588 13.581 -3.735 1.00 0.00 O ATOM 1271 CB ALA A 996 -9.431 10.751 -4.311 1.00 0.00 C ATOM 0 H ALA A 996 -7.800 9.350 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 996 -7.540 11.441 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -9.982 11.524 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -9.397 9.845 -4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -9.931 10.538 -3.366 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.396 12.418 -1.972 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.424 13.567 -1.084 1.00 0.00 C ATOM 1279 C GLU A 997 -7.077 14.292 -1.113 1.00 0.00 C ATOM 1280 O GLU A 997 -7.003 15.485 -0.820 1.00 0.00 O ATOM 1281 CB GLU A 997 -8.792 13.150 0.341 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.382 14.327 1.121 1.00 0.00 C ATOM 1283 CD GLU A 997 -10.887 14.147 1.330 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.623 14.329 0.336 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.267 13.832 2.478 1.00 0.00 O ATOM 0 H GLU A 997 -8.718 11.546 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.193 14.255 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.512 12.332 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -7.906 12.776 0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -8.885 14.413 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -9.195 15.256 0.582 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.044 13.542 -1.468 1.00 0.00 N ATOM 1293 CA LEU A 998 -4.704 14.098 -1.539 1.00 0.00 C ATOM 1294 C LEU A 998 -4.605 15.027 -2.750 1.00 0.00 C ATOM 1295 O LEU A 998 -4.207 16.184 -2.619 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.659 12.980 -1.535 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.324 13.312 -0.865 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -2.026 12.337 0.275 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -1.191 13.358 -1.892 1.00 0.00 C ATOM 0 H LEU A 998 -6.108 12.553 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.495 14.702 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.087 12.111 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.463 12.690 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.400 14.307 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -1.072 12.595 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -2.817 12.398 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -1.977 11.322 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.254 13.596 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -1.104 12.388 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -1.407 14.123 -2.638 1.00 0.00 H new ATOM 1311 N ILE A 999 -4.975 14.487 -3.902 1.00 0.00 N ATOM 1312 CA ILE A 999 -4.934 15.254 -5.136 1.00 0.00 C ATOM 1313 C ILE A 999 -5.619 16.604 -4.916 1.00 0.00 C ATOM 1314 O ILE A 999 -5.073 17.647 -5.273 1.00 0.00 O ATOM 1315 CB ILE A 999 -5.527 14.444 -6.290 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -4.531 13.398 -6.795 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.011 15.363 -7.414 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -4.909 11.999 -6.304 1.00 0.00 C ATOM 0 H ILE A 999 -5.305 13.527 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 999 -3.903 15.463 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.398 13.906 -5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -4.506 13.411 -7.885 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -3.528 13.650 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.428 14.761 -8.222 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.778 16.036 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.172 15.948 -7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -4.185 11.275 -6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -4.909 11.984 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -5.903 11.741 -6.671 1.00 0.00 H new ATOM 1330 N ASN A1000 -6.806 16.540 -4.329 1.00 0.00 N ATOM 1331 CA ASN A1000 -7.571 17.745 -4.058 1.00 0.00 C ATOM 1332 C ASN A1000 -6.791 18.632 -3.085 1.00 0.00 C ATOM 1333 O ASN A1000 -6.592 19.818 -3.344 1.00 0.00 O ATOM 1334 CB ASN A1000 -8.918 17.408 -3.414 1.00 0.00 C ATOM 1335 CG ASN A1000 -9.981 18.440 -3.795 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -9.941 19.590 -3.388 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -10.932 17.967 -4.595 1.00 0.00 N ATOM 0 H ASN A1000 -7.256 15.673 -4.034 1.00 0.00 H new ATOM 0 HA ASN A1000 -7.741 18.257 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.239 16.416 -3.732 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -8.809 17.376 -2.330 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -11.688 18.578 -4.905 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -10.905 16.994 -4.899 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.370 18.022 -1.987 1.00 0.00 N ATOM 1345 CA LYS A1001 -5.615 18.742 -0.974 1.00 0.00 C ATOM 1346 C LYS A1001 -4.630 19.692 -1.658 1.00 0.00 C ATOM 1347 O LYS A1001 -4.392 20.798 -1.175 1.00 0.00 O ATOM 1348 CB LYS A1001 -4.952 17.762 -0.004 1.00 0.00 C ATOM 1349 CG LYS A1001 -5.885 17.430 1.163 1.00 0.00 C ATOM 1350 CD LYS A1001 -5.868 18.543 2.213 1.00 0.00 C ATOM 1351 CE LYS A1001 -7.219 18.649 2.922 1.00 0.00 C ATOM 1352 NZ LYS A1001 -7.416 20.012 3.463 1.00 0.00 N ATOM 0 H LYS A1001 -6.537 17.038 -1.776 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.280 19.356 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -4.685 16.847 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.026 18.192 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -6.901 17.290 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -5.580 16.489 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -5.084 18.346 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -5.628 19.494 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -8.022 18.409 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -7.270 17.920 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -8.078 19.975 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -6.503 20.393 3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -7.805 20.627 2.720 1.00 0.00 H new ATOM 1366 N MET A1002 -4.084 19.226 -2.771 1.00 0.00 N ATOM 1367 CA MET A1002 -3.130 20.021 -3.526 1.00 0.00 C ATOM 1368 C MET A1002 -3.840 21.111 -4.331 1.00 0.00 C ATOM 1369 O MET A1002 -3.551 22.296 -4.168 1.00 0.00 O ATOM 1370 CB MET A1002 -2.347 19.113 -4.476 1.00 0.00 C ATOM 1371 CG MET A1002 -1.554 19.936 -5.493 1.00 0.00 C ATOM 1372 SD MET A1002 -2.528 20.190 -6.967 1.00 0.00 S ATOM 1373 CE MET A1002 -2.187 18.665 -7.830 1.00 0.00 C ATOM 0 H MET A1002 -4.284 18.308 -3.169 1.00 0.00 H new ATOM 0 HA MET A1002 -2.449 20.500 -2.823 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.667 18.482 -3.904 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.035 18.448 -4.998 1.00 0.00 H new ATOM 0 HG2 MET A1002 -1.279 20.897 -5.059 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.626 19.422 -5.745 1.00 0.00 H new ATOM 0 HE1 MET A1002 -2.475 18.767 -8.876 1.00 0.00 H new ATOM 0 HE2 MET A1002 -1.122 18.442 -7.767 1.00 0.00 H new ATOM 0 HE3 MET A1002 -2.755 17.854 -7.374 1.00 0.00 H new ATOM 1383 N LYS A1003 -4.755 20.673 -5.182 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.509 21.596 -6.013 1.00 0.00 C ATOM 1385 C LYS A1003 -5.926 22.806 -5.174 1.00 0.00 C ATOM 1386 O LYS A1003 -6.094 23.904 -5.702 1.00 0.00 O ATOM 1387 CB LYS A1003 -6.682 20.879 -6.684 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.339 20.496 -8.125 1.00 0.00 C ATOM 1389 CD LYS A1003 -7.501 19.751 -8.785 1.00 0.00 C ATOM 1390 CE LYS A1003 -8.612 20.719 -9.193 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.672 20.757 -8.160 1.00 0.00 N ATOM 0 H LYS A1003 -4.992 19.690 -5.314 1.00 0.00 H new ATOM 0 HA LYS A1003 -4.888 21.970 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -6.938 19.984 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -7.561 21.524 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.105 21.393 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -5.447 19.869 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -7.141 19.214 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -7.898 19.006 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -8.198 21.717 -9.335 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -9.038 20.412 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -10.515 20.258 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -9.330 20.294 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -9.917 21.746 -7.950 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.081 22.564 -3.881 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.475 23.619 -2.963 1.00 0.00 C ATOM 1407 C LEU A1004 -5.235 24.410 -2.539 1.00 0.00 C ATOM 1408 O LEU A1004 -5.176 25.624 -2.724 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.267 23.041 -1.789 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.393 22.071 -2.153 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -8.752 21.177 -0.964 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.611 22.822 -2.694 1.00 0.00 C ATOM 0 H LEU A1004 -5.941 21.652 -3.447 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.148 24.320 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.572 22.527 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.695 23.868 -1.223 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.037 21.419 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -9.555 20.497 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -7.877 20.600 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.081 21.796 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.396 22.109 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -9.978 23.514 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.328 23.379 -3.587 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.276 23.688 -1.979 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.041 24.306 -1.527 1.00 0.00 C ATOM 1426 C ALA A1005 -2.594 25.351 -2.551 1.00 0.00 C ATOM 1427 O ALA A1005 -1.984 26.357 -2.192 1.00 0.00 O ATOM 1428 CB ALA A1005 -1.983 23.226 -1.296 1.00 0.00 C ATOM 0 H ALA A1005 -4.329 22.681 -1.828 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.194 24.819 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.057 23.690 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.337 22.526 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -1.800 22.690 -2.228 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.915 25.077 -3.807 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.555 25.980 -4.886 1.00 0.00 C ATOM 1436 C GLN A1006 -3.120 27.377 -4.620 1.00 0.00 C ATOM 1437 O GLN A1006 -2.381 28.361 -4.625 1.00 0.00 O ATOM 1438 CB GLN A1006 -3.035 25.443 -6.236 1.00 0.00 C ATOM 1439 CG GLN A1006 -2.096 24.354 -6.758 1.00 0.00 C ATOM 1440 CD GLN A1006 -1.547 24.719 -8.139 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -2.244 24.689 -9.140 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -0.263 25.064 -8.137 1.00 0.00 N ATOM 0 H GLN A1006 -3.421 24.242 -4.101 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.468 26.050 -4.926 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -4.043 25.041 -6.134 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -3.089 26.258 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.271 24.215 -6.060 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -2.629 23.405 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A1006 0.263 25.068 -7.263 1.00 0.00 H new ATOM 0 HE22 GLN A1006 0.196 25.325 -9.010 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.424 27.420 -4.394 1.00 0.00 N ATOM 1452 CA GLN A1007 -5.097 28.680 -4.126 1.00 0.00 C ATOM 1453 C GLN A1007 -5.052 28.998 -2.631 1.00 0.00 C ATOM 1454 O GLN A1007 -5.448 30.085 -2.211 1.00 0.00 O ATOM 1455 CB GLN A1007 -6.538 28.651 -4.638 1.00 0.00 C ATOM 1456 CG GLN A1007 -6.919 29.987 -5.280 1.00 0.00 C ATOM 1457 CD GLN A1007 -8.120 29.824 -6.214 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -7.995 29.788 -7.427 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -9.287 29.729 -5.583 1.00 0.00 N ATOM 0 H GLN A1007 -5.034 26.602 -4.391 1.00 0.00 H new ATOM 0 HA GLN A1007 -4.572 29.471 -4.661 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.653 27.848 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -7.216 28.433 -3.813 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -7.154 30.714 -4.503 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -6.070 30.381 -5.839 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -9.320 29.767 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -10.148 29.619 -6.118 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.568 28.030 -1.866 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.466 28.194 -0.426 1.00 0.00 C ATOM 1470 C TYR A1008 -3.008 28.357 0.006 1.00 0.00 C ATOM 1471 O TYR A1008 -2.648 28.018 1.132 1.00 0.00 O ATOM 1472 CB TYR A1008 -5.025 26.907 0.185 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.544 26.913 0.367 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.109 27.586 1.431 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -7.350 26.246 -0.533 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.539 27.592 1.603 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.780 26.252 -0.361 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.303 26.925 0.698 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.654 26.931 0.860 1.00 0.00 O ATOM 0 H TYR A1008 -4.242 27.129 -2.217 1.00 0.00 H new ATOM 0 HA TYR A1008 -5.009 29.082 -0.102 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.749 26.066 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.554 26.743 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -6.479 28.109 2.135 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.909 25.720 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -8.994 28.114 2.432 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -9.422 25.734 -1.058 1.00 0.00 H new ATOM 0 HH TYR A1008 -11.072 26.415 0.139 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.207 28.878 -0.912 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.796 29.091 -0.641 1.00 0.00 C ATOM 1491 C VAL A1009 -0.477 30.582 -0.762 1.00 0.00 C ATOM 1492 O VAL A1009 0.354 31.106 -0.021 1.00 0.00 O ATOM 1493 CB VAL A1009 0.053 28.220 -1.569 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.315 28.460 -3.035 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.546 28.460 -1.333 1.00 0.00 C ATOM 0 H VAL A1009 -2.509 29.159 -1.845 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.553 28.789 0.378 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.160 27.177 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A1009 0.303 27.829 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.366 28.216 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.145 29.507 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A1009 2.127 27.829 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A1009 1.781 29.507 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.795 28.216 -0.300 1.00 0.00 H new ATOM 1505 N MET A1010 -1.154 31.225 -1.703 1.00 0.00 N ATOM 1506 CA MET A1010 -0.953 32.645 -1.931 1.00 0.00 C ATOM 1507 C MET A1010 -1.752 33.480 -0.928 1.00 0.00 C ATOM 1508 O MET A1010 -1.954 34.676 -1.132 1.00 0.00 O ATOM 1509 CB MET A1010 -1.389 33.001 -3.354 1.00 0.00 C ATOM 1510 CG MET A1010 -2.814 32.516 -3.627 1.00 0.00 C ATOM 1511 SD MET A1010 -3.917 33.912 -3.772 1.00 0.00 S ATOM 1512 CE MET A1010 -4.988 33.607 -2.377 1.00 0.00 C ATOM 0 H MET A1010 -1.842 30.788 -2.316 1.00 0.00 H new ATOM 0 HA MET A1010 0.106 32.868 -1.799 1.00 0.00 H new ATOM 0 HB2 MET A1010 -1.335 34.080 -3.496 1.00 0.00 H new ATOM 0 HB3 MET A1010 -0.704 32.550 -4.072 1.00 0.00 H new ATOM 0 HG2 MET A1010 -2.837 31.927 -4.544 1.00 0.00 H new ATOM 0 HG3 MET A1010 -3.145 31.863 -2.820 1.00 0.00 H new ATOM 0 HE1 MET A1010 -6.001 33.417 -2.731 1.00 0.00 H new ATOM 0 HE2 MET A1010 -4.628 32.739 -1.825 1.00 0.00 H new ATOM 0 HE3 MET A1010 -4.989 34.478 -1.722 1.00 0.00 H new ATOM 1522 N THR A1011 -2.184 32.817 0.134 1.00 0.00 N ATOM 1523 CA THR A1011 -2.957 33.482 1.169 1.00 0.00 C ATOM 1524 C THR A1011 -2.431 33.101 2.554 1.00 0.00 C ATOM 1525 O THR A1011 -3.051 33.423 3.567 1.00 0.00 O ATOM 1526 CB THR A1011 -4.431 33.130 0.960 1.00 0.00 C ATOM 1527 OG1 THR A1011 -5.091 33.724 2.074 1.00 0.00 O ATOM 1528 CG2 THR A1011 -4.703 31.633 1.120 1.00 0.00 C ATOM 0 H THR A1011 -2.013 31.825 0.300 1.00 0.00 H new ATOM 0 HA THR A1011 -2.856 34.565 1.104 1.00 0.00 H new ATOM 0 HB THR A1011 -4.744 33.452 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A1011 -4.638 33.459 2.902 1.00 0.00 H new ATOM 0 HG21 THR A1011 -5.763 31.437 0.962 1.00 0.00 H new ATOM 0 HG22 THR A1011 -4.118 31.077 0.388 1.00 0.00 H new ATOM 0 HG23 THR A1011 -4.422 31.317 2.125 1.00 0.00 H new ATOM 1536 N SER A1012 -1.295 32.421 2.554 1.00 0.00 N ATOM 1537 CA SER A1012 -0.679 31.993 3.799 1.00 0.00 C ATOM 1538 C SER A1012 -1.314 30.684 4.274 1.00 0.00 C ATOM 1539 O SER A1012 -0.836 30.067 5.224 1.00 0.00 O ATOM 1540 CB SER A1012 -0.811 33.069 4.878 1.00 0.00 C ATOM 1541 OG SER A1012 0.263 33.023 5.813 1.00 0.00 O ATOM 0 H SER A1012 -0.784 32.155 1.712 1.00 0.00 H new ATOM 0 HA SER A1012 0.383 31.829 3.616 1.00 0.00 H new ATOM 0 HB2 SER A1012 -0.840 34.052 4.408 1.00 0.00 H new ATOM 0 HB3 SER A1012 -1.756 32.940 5.405 1.00 0.00 H new ATOM 0 HG SER A1012 0.143 33.727 6.484 1.00 0.00 H new ATOM 1547 N LEU A1013 -2.383 30.301 3.591 1.00 0.00 N ATOM 1548 CA LEU A1013 -3.089 29.077 3.932 1.00 0.00 C ATOM 1549 C LEU A1013 -2.152 27.883 3.742 1.00 0.00 C ATOM 1550 O LEU A1013 -2.441 26.782 4.208 1.00 0.00 O ATOM 1551 CB LEU A1013 -4.391 28.970 3.135 1.00 0.00 C ATOM 1552 CG LEU A1013 -5.614 29.651 3.753 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -6.480 28.642 4.509 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -5.197 30.826 4.640 1.00 0.00 C ATOM 0 H LEU A1013 -2.777 30.816 2.804 1.00 0.00 H new ATOM 0 HA LEU A1013 -3.384 29.087 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.224 29.396 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.621 27.914 2.993 1.00 0.00 H new ATOM 0 HG LEU A1013 -6.223 30.057 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -7.342 29.152 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -6.821 27.868 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -5.894 28.185 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -6.085 31.293 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -4.555 30.465 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -4.654 31.558 4.042 1.00 0.00 H new ATOM 1566 N GLN A1014 -1.048 28.141 3.056 1.00 0.00 N ATOM 1567 CA GLN A1014 -0.067 27.101 2.798 1.00 0.00 C ATOM 1568 C GLN A1014 0.179 26.278 4.064 1.00 0.00 C ATOM 1569 O GLN A1014 -0.371 25.188 4.217 1.00 0.00 O ATOM 1570 CB GLN A1014 1.239 27.698 2.271 1.00 0.00 C ATOM 1571 CG GLN A1014 2.298 26.611 2.070 1.00 0.00 C ATOM 1572 CD GLN A1014 3.625 27.013 2.717 1.00 0.00 C ATOM 1573 OE1 GLN A1014 4.333 27.889 2.250 1.00 0.00 O ATOM 1574 NE2 GLN A1014 3.921 26.324 3.816 1.00 0.00 N ATOM 0 H GLN A1014 -0.811 29.055 2.671 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.463 26.439 2.028 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.054 28.209 1.326 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.610 28.446 2.971 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.948 25.673 2.501 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.447 26.436 1.005 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.283 25.603 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A1014 4.786 26.517 4.321 1.00 0.00 H new ATOM 1583 N GLN A1015 1.006 26.830 4.940 1.00 0.00 N ATOM 1584 CA GLN A1015 1.331 26.161 6.188 1.00 0.00 C ATOM 1585 C GLN A1015 0.104 25.426 6.731 1.00 0.00 C ATOM 1586 O GLN A1015 0.232 24.375 7.358 1.00 0.00 O ATOM 1587 CB GLN A1015 1.876 27.153 7.217 1.00 0.00 C ATOM 1588 CG GLN A1015 0.858 28.259 7.504 1.00 0.00 C ATOM 1589 CD GLN A1015 0.080 27.968 8.789 1.00 0.00 C ATOM 1590 OE1 GLN A1015 0.622 27.516 9.785 1.00 0.00 O ATOM 1591 NE2 GLN A1015 -1.217 28.251 8.712 1.00 0.00 N ATOM 0 H GLN A1015 1.461 27.734 4.810 1.00 0.00 H new ATOM 0 HA GLN A1015 2.113 25.427 5.991 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.118 26.628 8.141 1.00 0.00 H new ATOM 0 HB3 GLN A1015 2.802 27.593 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.371 29.216 7.594 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.165 28.347 6.667 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -1.606 28.627 7.848 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -1.822 28.092 9.517 1.00 0.00 H new ATOM 1600 N GLU A1016 -1.058 26.007 6.471 1.00 0.00 N ATOM 1601 CA GLU A1016 -2.307 25.420 6.926 1.00 0.00 C ATOM 1602 C GLU A1016 -2.600 24.132 6.155 1.00 0.00 C ATOM 1603 O GLU A1016 -2.674 23.055 6.744 1.00 0.00 O ATOM 1604 CB GLU A1016 -3.461 26.415 6.791 1.00 0.00 C ATOM 1605 CG GLU A1016 -4.368 26.374 8.023 1.00 0.00 C ATOM 1606 CD GLU A1016 -5.361 27.538 8.012 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -4.992 28.604 8.552 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -6.466 27.337 7.464 1.00 0.00 O ATOM 0 H GLU A1016 -1.161 26.878 5.951 1.00 0.00 H new ATOM 0 HA GLU A1016 -2.206 25.172 7.983 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -3.064 27.422 6.661 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -4.043 26.184 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -4.910 25.429 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.761 26.418 8.927 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.759 24.285 4.849 1.00 0.00 N ATOM 1616 CA TYR A1017 -3.043 23.147 3.991 1.00 0.00 C ATOM 1617 C TYR A1017 -1.823 22.231 3.875 1.00 0.00 C ATOM 1618 O TYR A1017 -1.923 21.122 3.352 1.00 0.00 O ATOM 1619 CB TYR A1017 -3.363 23.728 2.612 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.855 23.952 2.361 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.509 25.000 2.976 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.549 23.105 1.521 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.914 25.211 2.741 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.953 23.315 1.285 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.567 24.358 1.907 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.894 24.557 1.684 1.00 0.00 O ATOM 0 H TYR A1017 -2.697 25.180 4.364 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.864 22.556 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.840 24.677 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.973 23.056 1.847 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.967 25.663 3.634 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -5.038 22.284 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -7.437 26.028 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.507 22.660 0.629 1.00 0.00 H new ATOM 0 HH TYR A1017 -9.051 25.499 1.462 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.700 22.728 4.371 1.00 0.00 N ATOM 1637 CA LYS A1018 0.537 21.968 4.330 1.00 0.00 C ATOM 1638 C LYS A1018 0.442 20.793 5.305 1.00 0.00 C ATOM 1639 O LYS A1018 0.691 19.648 4.930 1.00 0.00 O ATOM 1640 CB LYS A1018 1.737 22.882 4.584 1.00 0.00 C ATOM 1641 CG LYS A1018 2.778 22.743 3.472 1.00 0.00 C ATOM 1642 CD LYS A1018 4.023 22.009 3.974 1.00 0.00 C ATOM 1643 CE LYS A1018 3.663 20.618 4.501 1.00 0.00 C ATOM 1644 NZ LYS A1018 4.862 19.946 5.051 1.00 0.00 N ATOM 0 H LYS A1018 -0.621 23.648 4.804 1.00 0.00 H new ATOM 0 HA LYS A1018 0.691 21.547 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.403 23.918 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.190 22.635 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A1018 2.346 22.201 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A1018 3.057 23.731 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A1018 4.748 21.919 3.165 1.00 0.00 H new ATOM 0 HD3 LYS A1018 4.498 22.590 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A1018 2.899 20.702 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A1018 3.238 20.017 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 5.106 19.129 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 5.659 20.614 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 4.665 19.622 6.019 1.00 0.00 H new ATOM 1658 N LYS A1019 0.081 21.117 6.538 1.00 0.00 N ATOM 1659 CA LYS A1019 -0.050 20.103 7.571 1.00 0.00 C ATOM 1660 C LYS A1019 -1.201 19.161 7.211 1.00 0.00 C ATOM 1661 O LYS A1019 -1.171 17.980 7.552 1.00 0.00 O ATOM 1662 CB LYS A1019 -0.196 20.755 8.947 1.00 0.00 C ATOM 1663 CG LYS A1019 1.173 21.032 9.571 1.00 0.00 C ATOM 1664 CD LYS A1019 1.965 22.036 8.731 1.00 0.00 C ATOM 1665 CE LYS A1019 3.018 21.327 7.877 1.00 0.00 C ATOM 1666 NZ LYS A1019 4.027 20.670 8.738 1.00 0.00 N ATOM 0 H LYS A1019 -0.125 22.068 6.845 1.00 0.00 H new ATOM 0 HA LYS A1019 0.854 19.496 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.753 21.688 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -0.773 20.103 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.044 21.419 10.582 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.733 20.101 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.285 22.593 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.450 22.760 9.385 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.538 20.585 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.506 22.046 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 4.938 20.630 8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.139 21.213 9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.714 19.704 8.965 1.00 0.00 H new ATOM 1680 N GLN A1020 -2.189 19.720 6.527 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.348 18.945 6.118 1.00 0.00 C ATOM 1682 C GLN A1020 -2.918 17.781 5.222 1.00 0.00 C ATOM 1683 O GLN A1020 -3.124 16.618 5.568 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.377 19.829 5.411 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.960 20.867 6.372 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.802 20.196 7.459 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -6.926 19.777 7.240 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -5.196 20.118 8.640 1.00 0.00 N ATOM 0 H GLN A1020 -2.211 20.700 6.246 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.821 18.536 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.909 20.333 4.566 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -5.179 19.210 5.009 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -4.152 21.436 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.574 21.577 5.818 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -4.253 20.489 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -5.674 19.687 9.431 1.00 0.00 H new ATOM 1697 N MET A1021 -2.329 18.133 4.089 1.00 0.00 N ATOM 1698 CA MET A1021 -1.869 17.132 3.142 1.00 0.00 C ATOM 1699 C MET A1021 -0.942 16.121 3.820 1.00 0.00 C ATOM 1700 O MET A1021 -0.806 14.990 3.356 1.00 0.00 O ATOM 1701 CB MET A1021 -1.124 17.818 1.995 1.00 0.00 C ATOM 1702 CG MET A1021 0.170 18.466 2.492 1.00 0.00 C ATOM 1703 SD MET A1021 1.488 18.168 1.326 1.00 0.00 S ATOM 1704 CE MET A1021 1.682 16.405 1.521 1.00 0.00 C ATOM 0 H MET A1021 -2.160 19.098 3.805 1.00 0.00 H new ATOM 0 HA MET A1021 -2.737 16.599 2.756 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.895 17.089 1.218 1.00 0.00 H new ATOM 0 HB3 MET A1021 -1.764 18.576 1.542 1.00 0.00 H new ATOM 0 HG2 MET A1021 0.023 19.538 2.621 1.00 0.00 H new ATOM 0 HG3 MET A1021 0.438 18.061 3.468 1.00 0.00 H new ATOM 0 HE1 MET A1021 2.671 16.107 1.172 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.574 16.141 2.573 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.920 15.888 0.937 1.00 0.00 H new ATOM 1714 N LEU A1022 -0.329 16.565 4.907 1.00 0.00 N ATOM 1715 CA LEU A1022 0.581 15.713 5.654 1.00 0.00 C ATOM 1716 C LEU A1022 -0.225 14.670 6.431 1.00 0.00 C ATOM 1717 O LEU A1022 0.117 13.488 6.430 1.00 0.00 O ATOM 1718 CB LEU A1022 1.505 16.557 6.535 1.00 0.00 C ATOM 1719 CG LEU A1022 2.906 15.991 6.772 1.00 0.00 C ATOM 1720 CD1 LEU A1022 3.975 17.061 6.542 1.00 0.00 C ATOM 1721 CD2 LEU A1022 3.015 15.362 8.162 1.00 0.00 C ATOM 0 H LEU A1022 -0.444 17.504 5.289 1.00 0.00 H new ATOM 0 HA LEU A1022 1.237 15.169 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.605 17.543 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.023 16.698 7.502 1.00 0.00 H new ATOM 0 HG LEU A1022 3.082 15.198 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A1022 4.962 16.633 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A1022 3.913 17.422 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A1022 3.813 17.891 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.021 14.967 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A1022 2.811 16.118 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A1022 2.291 14.552 8.253 1.00 0.00 H new ATOM 1733 N THR A1023 -1.281 15.145 7.075 1.00 0.00 N ATOM 1734 CA THR A1023 -2.139 14.268 7.854 1.00 0.00 C ATOM 1735 C THR A1023 -2.479 13.007 7.057 1.00 0.00 C ATOM 1736 O THR A1023 -2.391 11.896 7.577 1.00 0.00 O ATOM 1737 CB THR A1023 -3.371 15.068 8.280 1.00 0.00 C ATOM 1738 OG1 THR A1023 -2.832 16.234 8.897 1.00 0.00 O ATOM 1739 CG2 THR A1023 -4.157 14.383 9.399 1.00 0.00 C ATOM 0 H THR A1023 -1.562 16.126 7.073 1.00 0.00 H new ATOM 0 HA THR A1023 -1.633 13.918 8.754 1.00 0.00 H new ATOM 0 HB THR A1023 -4.022 15.216 7.419 1.00 0.00 H new ATOM 0 HG1 THR A1023 -2.744 16.946 8.230 1.00 0.00 H new ATOM 0 HG21 THR A1023 -5.021 14.993 9.663 1.00 0.00 H new ATOM 0 HG22 THR A1023 -4.494 13.404 9.060 1.00 0.00 H new ATOM 0 HG23 THR A1023 -3.517 14.263 10.273 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.859 13.222 5.805 1.00 0.00 N ATOM 1748 CA ALA A1024 -3.212 12.117 4.931 1.00 0.00 C ATOM 1749 C ALA A1024 -1.937 11.397 4.486 1.00 0.00 C ATOM 1750 O ALA A1024 -1.898 10.168 4.440 1.00 0.00 O ATOM 1751 CB ALA A1024 -4.028 12.642 3.748 1.00 0.00 C ATOM 0 H ALA A1024 -2.930 14.145 5.376 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.832 11.393 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -4.293 11.813 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.937 13.118 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -3.436 13.369 3.192 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.926 12.193 4.168 1.00 0.00 N ATOM 1758 CA ALA A1025 0.346 11.647 3.728 1.00 0.00 C ATOM 1759 C ALA A1025 0.908 10.732 4.819 1.00 0.00 C ATOM 1760 O ALA A1025 1.595 9.755 4.522 1.00 0.00 O ATOM 1761 CB ALA A1025 1.300 12.791 3.379 1.00 0.00 C ATOM 0 H ALA A1025 -0.963 13.212 4.207 1.00 0.00 H new ATOM 0 HA ALA A1025 0.215 11.046 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.254 12.381 3.049 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.868 13.394 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.458 13.414 4.259 1.00 0.00 H new ATOM 1767 N HIS A1026 0.595 11.080 6.058 1.00 0.00 N ATOM 1768 CA HIS A1026 1.060 10.302 7.194 1.00 0.00 C ATOM 1769 C HIS A1026 0.247 9.010 7.298 1.00 0.00 C ATOM 1770 O HIS A1026 0.813 7.919 7.352 1.00 0.00 O ATOM 1771 CB HIS A1026 1.017 11.135 8.477 1.00 0.00 C ATOM 1772 CG HIS A1026 2.285 11.070 9.294 1.00 0.00 C ATOM 1773 ND1 HIS A1026 3.489 11.590 8.852 1.00 0.00 N ATOM 1774 CD2 HIS A1026 2.523 10.542 10.529 1.00 0.00 C ATOM 1775 CE1 HIS A1026 4.404 11.378 9.787 1.00 0.00 C ATOM 1776 NE2 HIS A1026 3.804 10.728 10.825 1.00 0.00 N ATOM 0 H HIS A1026 0.025 11.890 6.301 1.00 0.00 H new ATOM 0 HA HIS A1026 2.103 10.023 7.046 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.818 12.174 8.217 1.00 0.00 H new ATOM 0 HB3 HIS A1026 0.183 10.795 9.091 1.00 0.00 H new ATOM 0 HD2 HIS A1026 1.793 10.055 11.159 1.00 0.00 H new ATOM 0 HE1 HIS A1026 5.443 11.669 9.736 1.00 0.00 H new ATOM 0 HE2 HIS A1026 4.264 10.433 11.687 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.067 9.176 7.324 1.00 0.00 N ATOM 1785 CA ALA A1027 -1.964 8.037 7.421 1.00 0.00 C ATOM 1786 C ALA A1027 -1.786 7.147 6.189 1.00 0.00 C ATOM 1787 O ALA A1027 -1.879 5.924 6.284 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.403 8.531 7.581 1.00 0.00 C ATOM 0 H ALA A1027 -1.532 10.083 7.280 1.00 0.00 H new ATOM 0 HA ALA A1027 -1.727 7.436 8.299 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.075 7.676 7.654 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.482 9.133 8.486 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -3.678 9.136 6.717 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.534 7.796 5.062 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.343 7.079 3.813 1.00 0.00 C ATOM 1796 C LEU A1028 -0.214 6.060 3.982 1.00 0.00 C ATOM 1797 O LEU A1028 -0.440 4.855 3.881 1.00 0.00 O ATOM 1798 CB LEU A1028 -1.117 8.060 2.661 1.00 0.00 C ATOM 1799 CG LEU A1028 -2.379 8.599 1.983 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -2.041 9.266 0.648 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -3.429 7.498 1.824 1.00 0.00 C ATOM 0 H LEU A1028 -1.458 8.810 4.988 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.242 6.520 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -0.541 8.905 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -0.504 7.568 1.906 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.812 9.366 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -2.955 9.640 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -1.355 10.095 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -1.572 8.538 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -4.315 7.908 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -3.022 6.692 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.699 7.108 2.805 1.00 0.00 H new ATOM 1813 N ALA A1029 0.978 6.581 4.237 1.00 0.00 N ATOM 1814 CA ALA A1029 2.142 5.732 4.421 1.00 0.00 C ATOM 1815 C ALA A1029 1.735 4.475 5.193 1.00 0.00 C ATOM 1816 O ALA A1029 2.104 3.364 4.816 1.00 0.00 O ATOM 1817 CB ALA A1029 3.242 6.522 5.133 1.00 0.00 C ATOM 0 H ALA A1029 1.162 7.581 4.320 1.00 0.00 H new ATOM 0 HA ALA A1029 2.540 5.413 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A1029 4.116 5.885 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.516 7.388 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.879 6.856 6.105 1.00 0.00 H new ATOM 1823 N VAL A1030 0.978 4.693 6.259 1.00 0.00 N ATOM 1824 CA VAL A1030 0.517 3.592 7.087 1.00 0.00 C ATOM 1825 C VAL A1030 -0.537 2.790 6.320 1.00 0.00 C ATOM 1826 O VAL A1030 -0.414 1.575 6.177 1.00 0.00 O ATOM 1827 CB VAL A1030 0.005 4.124 8.427 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.043 3.183 9.026 1.00 0.00 C ATOM 1829 CG2 VAL A1030 1.160 4.351 9.404 1.00 0.00 C ATOM 0 H VAL A1030 0.673 5.616 6.568 1.00 0.00 H new ATOM 0 HA VAL A1030 1.340 2.914 7.315 1.00 0.00 H new ATOM 0 HB VAL A1030 -0.474 5.086 8.245 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -1.391 3.584 9.978 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -1.886 3.094 8.341 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -0.600 2.200 9.187 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.769 4.729 10.348 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.680 3.409 9.578 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.856 5.077 8.983 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.548 3.503 5.847 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.623 2.873 5.099 1.00 0.00 C ATOM 1841 C ASP A1031 -2.029 1.861 4.117 1.00 0.00 C ATOM 1842 O ASP A1031 -2.423 0.696 4.106 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.412 3.906 4.293 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.363 4.778 5.115 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -4.770 4.308 6.199 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -4.661 5.896 4.641 1.00 0.00 O ATOM 0 H ASP A1031 -1.646 4.511 5.967 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.289 2.386 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -2.707 4.554 3.773 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -3.989 3.385 3.529 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.089 2.342 3.316 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.437 1.495 2.333 1.00 0.00 C ATOM 1853 C ALA A1032 0.171 0.280 3.036 1.00 0.00 C ATOM 1854 O ALA A1032 0.121 -0.833 2.515 1.00 0.00 O ATOM 1855 CB ALA A1032 0.608 2.310 1.569 1.00 0.00 C ATOM 0 H ALA A1032 -0.764 3.309 3.328 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.159 1.127 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A1032 1.097 1.674 0.831 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.121 3.144 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A1032 1.352 2.694 2.267 1.00 0.00 H new ATOM 1861 N LYS A1033 0.731 0.535 4.210 1.00 0.00 N ATOM 1862 CA LYS A1033 1.348 -0.524 4.990 1.00 0.00 C ATOM 1863 C LYS A1033 0.272 -1.516 5.437 1.00 0.00 C ATOM 1864 O LYS A1033 0.469 -2.728 5.360 1.00 0.00 O ATOM 1865 CB LYS A1033 2.160 0.065 6.146 1.00 0.00 C ATOM 1866 CG LYS A1033 3.360 -0.822 6.481 1.00 0.00 C ATOM 1867 CD LYS A1033 4.525 -0.552 5.526 1.00 0.00 C ATOM 1868 CE LYS A1033 5.506 0.456 6.128 1.00 0.00 C ATOM 1869 NZ LYS A1033 6.576 0.780 5.158 1.00 0.00 N ATOM 0 H LYS A1033 0.770 1.459 4.639 1.00 0.00 H new ATOM 0 HA LYS A1033 2.061 -1.080 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A1033 2.505 1.064 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A1033 1.524 0.170 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A1033 3.677 -0.639 7.508 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.070 -1.871 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A1033 5.045 -1.485 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A1033 4.143 -0.171 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A1033 4.975 1.365 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A1033 5.944 0.047 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 7.233 1.465 5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 7.093 -0.087 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 6.154 1.190 4.300 1.00 0.00 H new ATOM 1883 N ASN A1034 -0.842 -0.964 5.895 1.00 0.00 N ATOM 1884 CA ASN A1034 -1.949 -1.785 6.354 1.00 0.00 C ATOM 1885 C ASN A1034 -2.377 -2.732 5.231 1.00 0.00 C ATOM 1886 O ASN A1034 -2.796 -3.859 5.490 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.156 -0.922 6.730 1.00 0.00 C ATOM 1888 CG ASN A1034 -3.997 -1.598 7.814 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -3.665 -2.655 8.325 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -5.102 -0.932 8.136 1.00 0.00 N ATOM 0 H ASN A1034 -1.002 0.041 5.958 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.615 -2.341 7.230 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -2.816 0.051 7.083 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -3.770 -0.744 5.847 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -5.730 -1.301 8.850 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -5.321 -0.052 7.669 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.255 -2.240 4.007 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.624 -3.028 2.843 1.00 0.00 C ATOM 1899 C LEU A1035 -1.802 -4.319 2.826 1.00 0.00 C ATOM 1900 O LEU A1035 -2.357 -5.413 2.911 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.487 -2.195 1.567 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.035 -2.833 0.289 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -3.501 -1.764 -0.701 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.009 -3.782 -0.334 1.00 0.00 C ATOM 0 H LEU A1035 -1.906 -1.305 3.796 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.673 -3.318 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -2.995 -1.243 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.431 -1.971 1.414 1.00 0.00 H new ATOM 0 HG LEU A1035 -3.908 -3.430 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -3.886 -2.244 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -4.288 -1.164 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -2.661 -1.121 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -2.424 -4.222 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.104 -3.228 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -1.768 -4.573 0.376 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.493 -4.148 2.716 1.00 0.00 N ATOM 1917 CA LEU A1036 0.410 -5.286 2.686 1.00 0.00 C ATOM 1918 C LEU A1036 0.357 -6.008 4.034 1.00 0.00 C ATOM 1919 O LEU A1036 0.356 -7.237 4.083 1.00 0.00 O ATOM 1920 CB LEU A1036 1.817 -4.842 2.281 1.00 0.00 C ATOM 1921 CG LEU A1036 2.510 -5.697 1.218 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.413 -5.043 -0.161 1.00 0.00 C ATOM 1923 CD2 LEU A1036 3.959 -5.993 1.612 1.00 0.00 C ATOM 0 H LEU A1036 -0.036 -3.239 2.647 1.00 0.00 H new ATOM 0 HA LEU A1036 0.096 -6.003 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.762 -3.817 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.443 -4.829 3.173 1.00 0.00 H new ATOM 0 HG LEU A1036 1.991 -6.654 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A1036 2.914 -5.671 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.365 -4.927 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A1036 2.892 -4.064 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.429 -6.602 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.506 -5.056 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A1036 3.976 -6.532 2.559 1.00 0.00 H new ATOM 1935 N ASP A1037 0.315 -5.215 5.094 1.00 0.00 N ATOM 1936 CA ASP A1037 0.262 -5.763 6.438 1.00 0.00 C ATOM 1937 C ASP A1037 -0.669 -6.978 6.452 1.00 0.00 C ATOM 1938 O ASP A1037 -0.294 -8.046 6.935 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.287 -4.737 7.431 1.00 0.00 C ATOM 1940 CG ASP A1037 -0.185 -5.142 8.902 1.00 0.00 C ATOM 1941 OD1 ASP A1037 0.776 -5.873 9.225 1.00 0.00 O ATOM 1942 OD2 ASP A1037 -1.072 -4.712 9.672 1.00 0.00 O ATOM 0 H ASP A1037 0.317 -4.196 5.049 1.00 0.00 H new ATOM 0 HA ASP A1037 1.275 -6.040 6.729 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.246 -3.797 7.291 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.334 -4.548 7.194 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.863 -6.775 5.916 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.850 -7.840 5.861 1.00 0.00 C ATOM 1949 C VAL A1038 -2.315 -8.980 4.992 1.00 0.00 C ATOM 1950 O VAL A1038 -2.472 -10.152 5.333 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.188 -7.289 5.366 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -5.160 -8.423 5.035 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -4.796 -6.326 6.388 1.00 0.00 C ATOM 0 H VAL A1038 -2.170 -5.888 5.516 1.00 0.00 H new ATOM 0 HA VAL A1038 -3.030 -8.246 6.857 1.00 0.00 H new ATOM 0 HB VAL A1038 -4.001 -6.730 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -6.103 -8.003 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.732 -9.053 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -5.338 -9.022 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -5.747 -5.949 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -4.961 -6.851 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -4.114 -5.492 6.552 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.694 -8.597 3.886 1.00 0.00 N ATOM 1964 CA ILE A1039 -1.135 -9.573 2.966 1.00 0.00 C ATOM 1965 C ILE A1039 -0.106 -10.432 3.703 1.00 0.00 C ATOM 1966 O ILE A1039 -0.105 -11.655 3.571 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.578 -8.878 1.721 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.693 -8.567 0.721 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.545 -9.703 1.089 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.220 -7.566 -0.335 1.00 0.00 C ATOM 0 H ILE A1039 -1.566 -7.625 3.606 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.913 -10.246 2.606 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.145 -7.925 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -2.018 -9.487 0.235 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.557 -8.163 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.923 -9.187 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.353 -9.830 1.809 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.160 -10.681 0.800 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -2.032 -7.363 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.919 -6.638 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.371 -7.983 -0.877 1.00 0.00 H new ATOM 1982 N ASP A1040 0.745 -9.758 4.463 1.00 0.00 N ATOM 1983 CA ASP A1040 1.777 -10.445 5.221 1.00 0.00 C ATOM 1984 C ASP A1040 1.142 -11.584 6.021 1.00 0.00 C ATOM 1985 O ASP A1040 1.709 -12.672 6.115 1.00 0.00 O ATOM 1986 CB ASP A1040 2.458 -9.495 6.209 1.00 0.00 C ATOM 1987 CG ASP A1040 3.837 -8.993 5.776 1.00 0.00 C ATOM 1988 OD1 ASP A1040 3.957 -8.617 4.590 1.00 0.00 O ATOM 1989 OD2 ASP A1040 4.739 -8.995 6.642 1.00 0.00 O ATOM 0 H ASP A1040 0.741 -8.744 4.570 1.00 0.00 H new ATOM 0 HA ASP A1040 2.517 -10.825 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A1040 1.808 -8.635 6.369 1.00 0.00 H new ATOM 0 HB3 ASP A1040 2.557 -10.003 7.168 1.00 0.00 H new ATOM 1994 N GLN A1041 -0.024 -11.295 6.578 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.742 -12.282 7.368 1.00 0.00 C ATOM 1996 C GLN A1041 -1.397 -13.319 6.453 1.00 0.00 C ATOM 1997 O GLN A1041 -1.756 -14.407 6.900 1.00 0.00 O ATOM 1998 CB GLN A1041 -1.780 -11.613 8.270 1.00 0.00 C ATOM 1999 CG GLN A1041 -1.157 -11.186 9.600 1.00 0.00 C ATOM 2000 CD GLN A1041 -2.116 -10.297 10.395 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -2.009 -9.082 10.410 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -3.057 -10.968 11.052 1.00 0.00 N ATOM 0 H GLN A1041 -0.490 -10.391 6.498 1.00 0.00 H new ATOM 0 HA GLN A1041 -0.027 -12.794 8.012 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -2.199 -10.743 7.765 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -2.604 -12.302 8.455 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -0.903 -12.069 10.187 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -0.227 -10.649 9.414 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -3.090 -11.986 10.997 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -3.746 -10.465 11.611 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.532 -12.945 5.189 1.00 0.00 N ATOM 2012 CA ALA A1042 -2.137 -13.829 4.208 1.00 0.00 C ATOM 2013 C ALA A1042 -1.102 -14.857 3.746 1.00 0.00 C ATOM 2014 O ALA A1042 -1.263 -16.054 3.980 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.693 -13.001 3.048 1.00 0.00 C ATOM 0 H ALA A1042 -1.233 -12.042 4.822 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.971 -14.376 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.147 -13.665 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.445 -12.307 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.884 -12.440 2.580 1.00 0.00 H new ATOM 2021 N ARG A1043 -0.061 -14.352 3.100 1.00 0.00 N ATOM 2022 CA ARG A1043 1.000 -15.212 2.604 1.00 0.00 C ATOM 2023 C ARG A1043 1.283 -16.336 3.601 1.00 0.00 C ATOM 2024 O ARG A1043 1.079 -17.510 3.294 1.00 0.00 O ATOM 2025 CB ARG A1043 2.285 -14.417 2.364 1.00 0.00 C ATOM 2026 CG ARG A1043 2.242 -13.072 3.091 1.00 0.00 C ATOM 2027 CD ARG A1043 3.653 -12.533 3.334 1.00 0.00 C ATOM 2028 NE ARG A1043 3.978 -12.597 4.776 1.00 0.00 N ATOM 2029 CZ ARG A1043 4.931 -11.861 5.364 1.00 0.00 C ATOM 2030 NH1 ARG A1043 5.659 -11.002 4.638 1.00 0.00 N ATOM 2031 NH2 ARG A1043 5.157 -11.985 6.679 1.00 0.00 N ATOM 0 H ARG A1043 0.070 -13.359 2.909 1.00 0.00 H new ATOM 0 HA ARG A1043 0.667 -15.638 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A1043 3.143 -14.994 2.709 1.00 0.00 H new ATOM 0 HB3 ARG A1043 2.421 -14.252 1.295 1.00 0.00 H new ATOM 0 HG2 ARG A1043 1.672 -12.354 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A1043 1.724 -13.186 4.043 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.377 -13.115 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A1043 3.724 -11.504 2.982 1.00 0.00 H new ATOM 0 HE ARG A1043 3.443 -13.241 5.359 1.00 0.00 H new ATOM 0 HH11 ARG A1043 5.488 -10.908 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A1043 6.384 -10.442 5.086 1.00 0.00 H new ATOM 0 HH21 ARG A1043 4.604 -12.639 7.232 1.00 0.00 H new ATOM 0 HH22 ARG A1043 5.882 -11.425 7.127 1.00 0.00 H new ATOM 2045 N LEU A1044 1.747 -15.939 4.777 1.00 0.00 N ATOM 2046 CA LEU A1044 2.060 -16.899 5.822 1.00 0.00 C ATOM 2047 C LEU A1044 0.853 -17.813 6.046 1.00 0.00 C ATOM 2048 O LEU A1044 1.011 -19.012 6.267 1.00 0.00 O ATOM 2049 CB LEU A1044 2.530 -16.179 7.087 1.00 0.00 C ATOM 2050 CG LEU A1044 1.586 -15.109 7.641 1.00 0.00 C ATOM 2051 CD1 LEU A1044 0.491 -15.738 8.504 1.00 0.00 C ATOM 2052 CD2 LEU A1044 2.364 -14.030 8.397 1.00 0.00 C ATOM 0 H LEU A1044 1.914 -14.965 5.029 1.00 0.00 H new ATOM 0 HA LEU A1044 2.891 -17.536 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.698 -16.925 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.493 -15.713 6.879 1.00 0.00 H new ATOM 0 HG LEU A1044 1.092 -14.620 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.166 -14.956 8.885 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.089 -16.438 7.903 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.947 -16.269 9.340 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.670 -13.282 8.780 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.903 -14.485 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A1044 3.075 -13.553 7.722 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.325 -17.210 5.982 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.558 -17.955 6.176 1.00 0.00 C ATOM 2066 C LYS A1045 -1.470 -19.283 5.421 1.00 0.00 C ATOM 2067 O LYS A1045 -2.108 -20.262 5.805 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.766 -17.102 5.782 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.938 -17.340 6.736 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.577 -16.015 7.160 1.00 0.00 C ATOM 2071 CE LYS A1045 -6.016 -16.228 7.634 1.00 0.00 C ATOM 2072 NZ LYS A1045 -6.250 -15.523 8.915 1.00 0.00 N ATOM 0 H LYS A1045 -0.452 -16.215 5.799 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.697 -18.196 7.230 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.491 -16.047 5.794 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -3.068 -17.341 4.762 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -4.684 -17.969 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -3.591 -17.879 7.617 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -3.990 -15.563 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -4.565 -15.317 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -6.712 -15.863 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.210 -17.293 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -7.231 -15.678 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -5.599 -15.891 9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -6.085 -14.504 8.786 1.00 0.00 H new ATOM 2086 N MET A1046 -0.675 -19.273 4.362 1.00 0.00 N ATOM 2087 CA MET A1046 -0.496 -20.465 3.550 1.00 0.00 C ATOM 2088 C MET A1046 0.685 -21.298 4.052 1.00 0.00 C ATOM 2089 O MET A1046 0.529 -22.477 4.366 1.00 0.00 O ATOM 2090 CB MET A1046 -0.253 -20.060 2.095 1.00 0.00 C ATOM 2091 CG MET A1046 -1.388 -20.547 1.193 1.00 0.00 C ATOM 2092 SD MET A1046 -1.002 -20.202 -0.515 1.00 0.00 S ATOM 2093 CE MET A1046 -0.094 -18.677 -0.326 1.00 0.00 C ATOM 0 H MET A1046 -0.147 -18.459 4.047 1.00 0.00 H new ATOM 0 HA MET A1046 -1.400 -21.070 3.622 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.168 -18.976 2.025 1.00 0.00 H new ATOM 0 HB3 MET A1046 0.694 -20.477 1.751 1.00 0.00 H new ATOM 0 HG2 MET A1046 -1.539 -21.618 1.331 1.00 0.00 H new ATOM 0 HG3 MET A1046 -2.320 -20.055 1.470 1.00 0.00 H new ATOM 0 HE1 MET A1046 0.024 -18.201 -1.299 1.00 0.00 H new ATOM 0 HE2 MET A1046 -0.639 -18.009 0.341 1.00 0.00 H new ATOM 0 HE3 MET A1046 0.888 -18.888 0.096 1.00 0.00 H new ATOM 2103 N ILE A1047 1.840 -20.652 4.113 1.00 0.00 N ATOM 2104 CA ILE A1047 3.047 -21.319 4.572 1.00 0.00 C ATOM 2105 C ILE A1047 2.790 -21.941 5.946 1.00 0.00 C ATOM 2106 O ILE A1047 3.131 -23.099 6.181 1.00 0.00 O ATOM 2107 CB ILE A1047 4.235 -20.355 4.546 1.00 0.00 C ATOM 2108 CG1 ILE A1047 4.700 -20.096 3.111 1.00 0.00 C ATOM 2109 CG2 ILE A1047 5.372 -20.862 5.435 1.00 0.00 C ATOM 2110 CD1 ILE A1047 4.414 -18.652 2.694 1.00 0.00 C ATOM 0 H ILE A1047 1.966 -19.674 3.852 1.00 0.00 H new ATOM 0 HA ILE A1047 3.312 -22.133 3.898 1.00 0.00 H new ATOM 0 HB ILE A1047 3.908 -19.399 4.956 1.00 0.00 H new ATOM 0 HG12 ILE A1047 5.768 -20.297 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A1047 4.194 -20.782 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A1047 6.204 -20.158 5.398 1.00 0.00 H new ATOM 0 HG22 ILE A1047 5.018 -20.953 6.462 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.705 -21.837 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A1047 4.754 -18.495 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A1047 3.342 -18.462 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A1047 4.941 -17.970 3.360 1.00 0.00 H new