USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=25 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 30:sc= 0.105 USER MOD Set 1.2: A1017 TYR OH : rot 69:sc= -0.465! USER MOD Set 2.1: A 922 ASN : amide:sc= -4.82! C(o=-4.9!,f=-12!) USER MOD Set 2.2: A 972 SER OG : rot -56:sc= -0.0909 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= -3.84! C(o=-3.8!,f=-7.5!) USER MOD Single : A 930 THR OG1 : rot -93:sc= 0.0261 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -150:sc= -1.98 (180deg=-5.18!) USER MOD Single : A 940 SER OG : rot 100:sc= 0 USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ 148:sc= -0.322 (180deg=-1.55!) USER MOD Single : A 944 GLN : amide:sc=-0.00764 K(o=-0.0076,f=-1.4) USER MOD Single : A 951 TYR OH : rot 165:sc= -0.824 USER MOD Single : A 954 MET CE :methyl 158:sc= -4.27! (180deg=-6.7!) 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 -87:sc= 0.0356 USER MOD Single : A 979 SER OG : rot 110:sc= -1.5 USER MOD Single : A 980 THR OG1 : rot 3:sc= -5.36! USER MOD Single : A 981 HIS : no HD1:sc= -4.77! X(o=-4.8!,f=-5.1) USER MOD Single : A 986 MET CE :methyl 154:sc= 0 (180deg=-0.722) USER MOD Single : A 988 GLN : amide:sc= -0.296 K(o=-0.3,f=-3.1!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.3!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.4) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 MET CE :methyl 131:sc= -2.85! (180deg=-6.66!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -7.31! C(o=-7.3!,f=-12!) USER MOD Single : A1007 GLN : amide:sc= -0.269 K(o=-0.27,f=-0.95) USER MOD Single : A1010 MET CE :methyl -155:sc= -1.9! (180deg=-2.42!) USER MOD Single : A1011 THR OG1 : rot 180:sc= 0 USER MOD Single : A1012 SER OG : rot -52:sc= 0.888 USER MOD Single : A1014 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.1!) USER MOD Single : A1015 GLN : amide:sc= -0.371 K(o=-0.37,f=-2.9!) USER MOD Single : A1018 LYS NZ :NH3+ 149:sc= 0.323 (180deg=-1.08!) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -0.0686 K(o=-0.069,f=-0.78) USER MOD Single : A1021 MET CE :methyl -157:sc= -3.7 (180deg=-5.98!) USER MOD Single : A1023 THR OG1 : rot -170:sc= 0.0921 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.129 K(o=-0.13,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 -148:sc= -0.237 (180deg=-1.35!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.908 -10.357 -5.746 1.00 0.00 N ATOM 108 CA ASN A 922 5.587 -9.620 -4.535 1.00 0.00 C ATOM 109 C ASN A 922 6.640 -8.533 -4.311 1.00 0.00 C ATOM 110 O ASN A 922 6.551 -7.767 -3.352 1.00 0.00 O ATOM 111 CB ASN A 922 5.590 -10.541 -3.313 1.00 0.00 C ATOM 112 CG ASN A 922 4.163 -10.838 -2.848 1.00 0.00 C ATOM 113 OD1 ASN A 922 3.188 -10.369 -3.412 1.00 0.00 O ATOM 114 ND2 ASN A 922 4.095 -11.641 -1.790 1.00 0.00 N ATOM 0 HA ASN A 922 4.595 -9.186 -4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 922 6.098 -11.474 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 922 6.151 -10.075 -2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 922 3.187 -11.899 -1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 922 4.951 -11.999 -1.366 1.00 0.00 H new ATOM 121 N ASP A 923 7.612 -8.500 -5.210 1.00 0.00 N ATOM 122 CA ASP A 923 8.681 -7.519 -5.122 1.00 0.00 C ATOM 123 C ASP A 923 8.211 -6.203 -5.743 1.00 0.00 C ATOM 124 O ASP A 923 8.369 -5.139 -5.146 1.00 0.00 O ATOM 125 CB ASP A 923 9.921 -7.987 -5.885 1.00 0.00 C ATOM 126 CG ASP A 923 11.214 -8.010 -5.067 1.00 0.00 C ATOM 127 OD1 ASP A 923 11.123 -8.369 -3.873 1.00 0.00 O ATOM 128 OD2 ASP A 923 12.263 -7.668 -5.653 1.00 0.00 O ATOM 0 H ASP A 923 7.682 -9.137 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 923 8.934 -7.388 -4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.735 -8.989 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 923 10.066 -7.336 -6.747 1.00 0.00 H new ATOM 133 N LYS A 924 7.643 -6.317 -6.935 1.00 0.00 N ATOM 134 CA LYS A 924 7.149 -5.149 -7.644 1.00 0.00 C ATOM 135 C LYS A 924 5.975 -4.546 -6.870 1.00 0.00 C ATOM 136 O LYS A 924 5.948 -3.343 -6.613 1.00 0.00 O ATOM 137 CB LYS A 924 6.812 -5.504 -9.093 1.00 0.00 C ATOM 138 CG LYS A 924 6.225 -4.299 -9.831 1.00 0.00 C ATOM 139 CD LYS A 924 7.070 -3.941 -11.055 1.00 0.00 C ATOM 140 CE LYS A 924 6.272 -3.086 -12.042 1.00 0.00 C ATOM 141 NZ LYS A 924 6.758 -3.299 -13.423 1.00 0.00 N ATOM 0 H LYS A 924 7.514 -7.201 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 924 7.922 -4.383 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 924 7.711 -5.846 -9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 924 6.100 -6.329 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 924 5.204 -4.520 -10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 924 6.175 -3.444 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 924 7.963 -3.401 -10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 924 7.407 -4.853 -11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 924 5.214 -3.340 -11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 924 6.363 -2.033 -11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 6.206 -2.711 -14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 7.762 -3.035 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 6.648 -4.301 -13.679 1.00 0.00 H new ATOM 155 N VAL A 925 5.033 -5.409 -6.519 1.00 0.00 N ATOM 156 CA VAL A 925 3.860 -4.977 -5.779 1.00 0.00 C ATOM 157 C VAL A 925 4.303 -4.224 -4.523 1.00 0.00 C ATOM 158 O VAL A 925 3.814 -3.130 -4.246 1.00 0.00 O ATOM 159 CB VAL A 925 2.964 -6.179 -5.471 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.789 -5.772 -4.579 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.471 -6.840 -6.760 1.00 0.00 C ATOM 0 H VAL A 925 5.058 -6.406 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 925 3.263 -4.288 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 925 3.560 -6.911 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 925 1.168 -6.644 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 925 2.168 -5.369 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 925 1.193 -5.013 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.837 -7.691 -6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.899 -6.118 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.326 -7.182 -7.343 1.00 0.00 H new ATOM 171 N TYR A 926 5.223 -4.840 -3.797 1.00 0.00 N ATOM 172 CA TYR A 926 5.738 -4.242 -2.577 1.00 0.00 C ATOM 173 C TYR A 926 6.487 -2.942 -2.877 1.00 0.00 C ATOM 174 O TYR A 926 6.407 -1.983 -2.110 1.00 0.00 O ATOM 175 CB TYR A 926 6.719 -5.258 -1.989 1.00 0.00 C ATOM 176 CG TYR A 926 6.053 -6.360 -1.163 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.779 -6.785 -1.479 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.727 -6.929 -0.101 1.00 0.00 C ATOM 179 CE1 TYR A 926 4.153 -7.823 -0.701 1.00 0.00 C ATOM 180 CE2 TYR A 926 6.101 -7.966 0.677 1.00 0.00 C ATOM 181 CZ TYR A 926 4.844 -8.362 0.338 1.00 0.00 C ATOM 182 OH TYR A 926 4.253 -9.341 1.073 1.00 0.00 O ATOM 0 H TYR A 926 5.626 -5.748 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 926 4.923 -4.005 -1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.281 -5.717 -2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.438 -4.732 -1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.251 -6.340 -2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.724 -6.596 0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 926 3.157 -8.165 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.617 -8.419 1.510 1.00 0.00 H new ATOM 0 HH TYR A 926 4.864 -9.632 1.781 1.00 0.00 H new ATOM 192 N GLU A 927 7.198 -2.951 -3.995 1.00 0.00 N ATOM 193 CA GLU A 927 7.961 -1.785 -4.406 1.00 0.00 C ATOM 194 C GLU A 927 7.044 -0.567 -4.529 1.00 0.00 C ATOM 195 O GLU A 927 7.157 0.381 -3.753 1.00 0.00 O ATOM 196 CB GLU A 927 8.701 -2.049 -5.719 1.00 0.00 C ATOM 197 CG GLU A 927 10.026 -2.771 -5.466 1.00 0.00 C ATOM 198 CD GLU A 927 11.185 -1.776 -5.375 1.00 0.00 C ATOM 199 OE1 GLU A 927 11.718 -1.426 -6.450 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.511 -1.388 -4.232 1.00 0.00 O ATOM 0 H GLU A 927 7.262 -3.748 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 927 8.709 -1.576 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 927 8.075 -2.650 -6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.889 -1.105 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.961 -3.344 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.215 -3.483 -6.270 1.00 0.00 H new ATOM 207 N ASN A 928 6.156 -0.631 -5.511 1.00 0.00 N ATOM 208 CA ASN A 928 5.220 0.455 -5.745 1.00 0.00 C ATOM 209 C ASN A 928 4.715 0.986 -4.402 1.00 0.00 C ATOM 210 O ASN A 928 4.761 2.189 -4.150 1.00 0.00 O ATOM 211 CB ASN A 928 4.009 -0.026 -6.549 1.00 0.00 C ATOM 212 CG ASN A 928 4.448 -0.859 -7.755 1.00 0.00 C ATOM 213 OD1 ASN A 928 4.282 -2.067 -7.801 1.00 0.00 O ATOM 214 ND2 ASN A 928 5.015 -0.148 -8.726 1.00 0.00 N ATOM 0 H ASN A 928 6.065 -1.418 -6.153 1.00 0.00 H new ATOM 0 HA ASN A 928 5.739 1.233 -6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.356 -0.621 -5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.428 0.832 -6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 928 5.342 -0.612 -9.574 1.00 0.00 H new ATOM 0 HD22 ASN A 928 5.123 0.861 -8.623 1.00 0.00 H new ATOM 221 N VAL A 929 4.244 0.063 -3.576 1.00 0.00 N ATOM 222 CA VAL A 929 3.731 0.424 -2.265 1.00 0.00 C ATOM 223 C VAL A 929 4.724 1.361 -1.574 1.00 0.00 C ATOM 224 O VAL A 929 4.397 2.510 -1.281 1.00 0.00 O ATOM 225 CB VAL A 929 3.437 -0.839 -1.453 1.00 0.00 C ATOM 226 CG1 VAL A 929 3.107 -0.491 0.000 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.309 -1.651 -2.092 1.00 0.00 C ATOM 0 H VAL A 929 4.207 -0.934 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 929 2.788 0.962 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 929 4.336 -1.456 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.902 -1.406 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.954 0.026 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 929 2.230 0.155 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 929 2.120 -2.543 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.404 -1.045 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.598 -1.944 -3.101 1.00 0.00 H new ATOM 237 N THR A 930 5.916 0.836 -1.335 1.00 0.00 N ATOM 238 CA THR A 930 6.958 1.612 -0.684 1.00 0.00 C ATOM 239 C THR A 930 7.315 2.839 -1.525 1.00 0.00 C ATOM 240 O THR A 930 7.164 3.972 -1.072 1.00 0.00 O ATOM 241 CB THR A 930 8.148 0.684 -0.428 1.00 0.00 C ATOM 242 OG1 THR A 930 8.173 -0.171 -1.567 1.00 0.00 O ATOM 243 CG2 THR A 930 7.907 -0.266 0.747 1.00 0.00 C ATOM 0 H THR A 930 6.184 -0.117 -1.580 1.00 0.00 H new ATOM 0 HA THR A 930 6.619 2.003 0.275 1.00 0.00 H new ATOM 0 HB THR A 930 9.039 1.281 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.664 -0.986 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.781 -0.902 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.732 0.314 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 930 7.036 -0.887 0.540 1.00 0.00 H new ATOM 251 N GLY A 931 7.781 2.571 -2.736 1.00 0.00 N ATOM 252 CA GLY A 931 8.160 3.639 -3.645 1.00 0.00 C ATOM 253 C GLY A 931 7.194 4.820 -3.537 1.00 0.00 C ATOM 254 O GLY A 931 7.621 5.962 -3.370 1.00 0.00 O ATOM 0 H GLY A 931 7.905 1.630 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 931 9.173 3.971 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 931 8.169 3.264 -4.668 1.00 0.00 H new ATOM 258 N LEU A 932 5.911 4.505 -3.635 1.00 0.00 N ATOM 259 CA LEU A 932 4.881 5.526 -3.550 1.00 0.00 C ATOM 260 C LEU A 932 4.824 6.069 -2.120 1.00 0.00 C ATOM 261 O LEU A 932 4.852 7.280 -1.911 1.00 0.00 O ATOM 262 CB LEU A 932 3.544 4.982 -4.055 1.00 0.00 C ATOM 263 CG LEU A 932 2.503 4.658 -2.982 1.00 0.00 C ATOM 264 CD1 LEU A 932 2.051 5.927 -2.256 1.00 0.00 C ATOM 265 CD2 LEU A 932 1.323 3.887 -3.577 1.00 0.00 C ATOM 0 H LEU A 932 5.561 3.557 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 932 5.123 6.366 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 932 3.114 5.711 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.737 4.077 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 932 2.969 4.010 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 932 1.311 5.669 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.910 6.398 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 932 1.610 6.619 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.598 3.670 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.849 4.489 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.680 2.953 -4.010 1.00 0.00 H new ATOM 277 N VAL A 933 4.745 5.145 -1.174 1.00 0.00 N ATOM 278 CA VAL A 933 4.683 5.515 0.230 1.00 0.00 C ATOM 279 C VAL A 933 5.840 6.463 0.554 1.00 0.00 C ATOM 280 O VAL A 933 5.705 7.346 1.400 1.00 0.00 O ATOM 281 CB VAL A 933 4.678 4.259 1.103 1.00 0.00 C ATOM 282 CG1 VAL A 933 5.363 4.521 2.445 1.00 0.00 C ATOM 283 CG2 VAL A 933 3.253 3.739 1.306 1.00 0.00 C ATOM 0 H VAL A 933 4.722 4.141 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 933 3.756 6.047 0.444 1.00 0.00 H new ATOM 0 HB VAL A 933 5.246 3.487 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 933 5.346 3.612 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 933 6.396 4.823 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 933 4.836 5.315 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 933 3.277 2.846 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 933 2.652 4.506 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 933 2.814 3.494 0.339 1.00 0.00 H new ATOM 293 N LYS A 934 6.950 6.248 -0.137 1.00 0.00 N ATOM 294 CA LYS A 934 8.129 7.073 0.067 1.00 0.00 C ATOM 295 C LYS A 934 7.813 8.515 -0.333 1.00 0.00 C ATOM 296 O LYS A 934 8.069 9.445 0.431 1.00 0.00 O ATOM 297 CB LYS A 934 9.331 6.480 -0.670 1.00 0.00 C ATOM 298 CG LYS A 934 9.564 5.024 -0.258 1.00 0.00 C ATOM 299 CD LYS A 934 10.968 4.835 0.318 1.00 0.00 C ATOM 300 CE LYS A 934 10.967 5.018 1.837 1.00 0.00 C ATOM 301 NZ LYS A 934 11.031 3.704 2.517 1.00 0.00 N ATOM 0 H LYS A 934 7.058 5.515 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 934 8.406 7.088 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 934 9.166 6.535 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.222 7.070 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.821 4.728 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.431 4.372 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.336 3.840 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.651 5.552 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 934 11.817 5.631 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 934 10.067 5.550 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 11.030 3.846 3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 10.206 3.132 2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 11.902 3.210 2.237 1.00 0.00 H new ATOM 315 N ALA A 935 7.261 8.657 -1.529 1.00 0.00 N ATOM 316 CA ALA A 935 6.907 9.970 -2.039 1.00 0.00 C ATOM 317 C ALA A 935 5.817 10.579 -1.156 1.00 0.00 C ATOM 318 O ALA A 935 5.870 11.763 -0.826 1.00 0.00 O ATOM 319 CB ALA A 935 6.473 9.850 -3.502 1.00 0.00 C ATOM 0 H ALA A 935 7.050 7.884 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 935 7.768 10.638 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.207 10.835 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.293 9.440 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.609 9.189 -3.572 1.00 0.00 H new ATOM 325 N VAL A 936 4.853 9.743 -0.798 1.00 0.00 N ATOM 326 CA VAL A 936 3.752 10.184 0.040 1.00 0.00 C ATOM 327 C VAL A 936 4.283 11.142 1.109 1.00 0.00 C ATOM 328 O VAL A 936 3.731 12.223 1.308 1.00 0.00 O ATOM 329 CB VAL A 936 3.026 8.973 0.630 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.327 9.339 1.942 1.00 0.00 C ATOM 331 CG2 VAL A 936 2.033 8.386 -0.375 1.00 0.00 C ATOM 0 H VAL A 936 4.812 8.762 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 936 3.017 10.731 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 936 3.772 8.209 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.819 8.461 2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 936 3.066 9.689 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.598 10.128 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.531 7.527 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.294 9.142 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.566 8.071 -1.272 1.00 0.00 H new ATOM 341 N ILE A 937 5.348 10.710 1.769 1.00 0.00 N ATOM 342 CA ILE A 937 5.959 11.516 2.812 1.00 0.00 C ATOM 343 C ILE A 937 6.940 12.504 2.178 1.00 0.00 C ATOM 344 O ILE A 937 6.778 13.716 2.309 1.00 0.00 O ATOM 345 CB ILE A 937 6.591 10.621 3.880 1.00 0.00 C ATOM 346 CG1 ILE A 937 5.519 9.855 4.658 1.00 0.00 C ATOM 347 CG2 ILE A 937 7.502 11.430 4.805 1.00 0.00 C ATOM 348 CD1 ILE A 937 5.895 8.379 4.802 1.00 0.00 C ATOM 0 H ILE A 937 5.803 9.813 1.602 1.00 0.00 H new ATOM 0 HA ILE A 937 5.203 12.105 3.330 1.00 0.00 H new ATOM 0 HB ILE A 937 7.216 9.881 3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 937 5.394 10.300 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 937 4.561 9.942 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 937 7.938 10.770 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 937 8.298 11.891 4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 937 6.920 12.207 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.116 7.858 5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 937 5.996 7.931 3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 937 6.841 8.295 5.337 1.00 0.00 H new ATOM 360 N GLU A 938 7.937 11.949 1.505 1.00 0.00 N ATOM 361 CA GLU A 938 8.945 12.766 0.851 1.00 0.00 C ATOM 362 C GLU A 938 8.327 14.075 0.356 1.00 0.00 C ATOM 363 O GLU A 938 8.922 15.141 0.504 1.00 0.00 O ATOM 364 CB GLU A 938 9.608 12.003 -0.298 1.00 0.00 C ATOM 365 CG GLU A 938 11.048 11.625 0.054 1.00 0.00 C ATOM 366 CD GLU A 938 11.115 10.218 0.651 1.00 0.00 C ATOM 367 OE1 GLU A 938 10.910 10.113 1.880 1.00 0.00 O ATOM 368 OE2 GLU A 938 11.370 9.280 -0.134 1.00 0.00 O ATOM 0 H GLU A 938 8.068 10.943 1.398 1.00 0.00 H new ATOM 0 HA GLU A 938 9.720 13.005 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.036 11.102 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.599 12.616 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.670 11.675 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.454 12.345 0.765 1.00 0.00 H new ATOM 375 N MET A 939 7.141 13.951 -0.222 1.00 0.00 N ATOM 376 CA MET A 939 6.437 15.111 -0.741 1.00 0.00 C ATOM 377 C MET A 939 6.452 16.259 0.271 1.00 0.00 C ATOM 378 O MET A 939 7.173 17.240 0.091 1.00 0.00 O ATOM 379 CB MET A 939 4.989 14.730 -1.058 1.00 0.00 C ATOM 380 CG MET A 939 4.121 15.977 -1.238 1.00 0.00 C ATOM 381 SD MET A 939 2.433 15.502 -1.574 1.00 0.00 S ATOM 382 CE MET A 939 2.707 14.220 -2.786 1.00 0.00 C ATOM 0 H MET A 939 6.650 13.065 -0.342 1.00 0.00 H new ATOM 0 HA MET A 939 6.942 15.443 -1.648 1.00 0.00 H new ATOM 0 HB2 MET A 939 4.958 14.127 -1.965 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.586 14.115 -0.253 1.00 0.00 H new ATOM 0 HG2 MET A 939 4.162 16.592 -0.339 1.00 0.00 H new ATOM 0 HG3 MET A 939 4.507 16.584 -2.057 1.00 0.00 H new ATOM 0 HE1 MET A 939 1.861 14.181 -3.472 1.00 0.00 H new ATOM 0 HE2 MET A 939 3.618 14.436 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 939 2.810 13.259 -2.282 1.00 0.00 H new ATOM 392 N SER A 940 5.649 16.099 1.312 1.00 0.00 N ATOM 393 CA SER A 940 5.561 17.110 2.352 1.00 0.00 C ATOM 394 C SER A 940 6.945 17.706 2.621 1.00 0.00 C ATOM 395 O SER A 940 7.067 18.896 2.905 1.00 0.00 O ATOM 396 CB SER A 940 4.975 16.527 3.639 1.00 0.00 C ATOM 397 OG SER A 940 3.550 16.538 3.631 1.00 0.00 O ATOM 0 H SER A 940 5.053 15.284 1.458 1.00 0.00 H new ATOM 0 HA SER A 940 4.893 17.899 2.006 1.00 0.00 H new ATOM 0 HB2 SER A 940 5.329 15.504 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 940 5.337 17.099 4.493 1.00 0.00 H new ATOM 0 HG SER A 940 3.217 15.647 3.396 1.00 0.00 H new ATOM 403 N SER A 941 7.952 16.850 2.521 1.00 0.00 N ATOM 404 CA SER A 941 9.322 17.277 2.750 1.00 0.00 C ATOM 405 C SER A 941 9.728 18.316 1.703 1.00 0.00 C ATOM 406 O SER A 941 10.226 19.387 2.047 1.00 0.00 O ATOM 407 CB SER A 941 10.282 16.086 2.717 1.00 0.00 C ATOM 408 OG SER A 941 11.317 16.208 3.689 1.00 0.00 O ATOM 0 H SER A 941 7.846 15.863 2.285 1.00 0.00 H new ATOM 0 HA SER A 941 9.379 17.728 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 941 9.725 15.166 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 941 10.725 16.004 1.724 1.00 0.00 H new ATOM 0 HG SER A 941 11.908 15.428 3.637 1.00 0.00 H new ATOM 414 N LYS A 942 9.499 17.964 0.446 1.00 0.00 N ATOM 415 CA LYS A 942 9.835 18.852 -0.653 1.00 0.00 C ATOM 416 C LYS A 942 8.557 19.504 -1.185 1.00 0.00 C ATOM 417 O LYS A 942 8.488 19.879 -2.355 1.00 0.00 O ATOM 418 CB LYS A 942 10.635 18.104 -1.721 1.00 0.00 C ATOM 419 CG LYS A 942 9.867 16.881 -2.225 1.00 0.00 C ATOM 420 CD LYS A 942 9.683 16.936 -3.743 1.00 0.00 C ATOM 421 CE LYS A 942 8.238 16.619 -4.132 1.00 0.00 C ATOM 422 NZ LYS A 942 8.174 15.362 -4.911 1.00 0.00 N ATOM 0 H LYS A 942 9.085 17.075 0.165 1.00 0.00 H new ATOM 0 HA LYS A 942 10.484 19.657 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 942 10.849 18.773 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.594 17.791 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.404 15.972 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 942 8.893 16.833 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 942 9.953 17.926 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.356 16.224 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 942 7.625 16.529 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 942 7.825 17.439 -4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 7.275 14.878 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 8.237 15.579 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 8.966 14.745 -4.639 1.00 0.00 H new ATOM 436 N ILE A 943 7.577 19.619 -0.301 1.00 0.00 N ATOM 437 CA ILE A 943 6.305 20.218 -0.667 1.00 0.00 C ATOM 438 C ILE A 943 6.329 21.708 -0.317 1.00 0.00 C ATOM 439 O ILE A 943 6.015 22.551 -1.155 1.00 0.00 O ATOM 440 CB ILE A 943 5.147 19.454 -0.023 1.00 0.00 C ATOM 441 CG1 ILE A 943 3.994 19.271 -1.012 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.692 20.134 1.269 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.166 20.552 -1.131 1.00 0.00 C ATOM 0 H ILE A 943 7.638 19.307 0.668 1.00 0.00 H new ATOM 0 HA ILE A 943 6.145 20.145 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 943 5.502 18.459 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.389 18.997 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.356 18.450 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.868 19.570 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.522 20.168 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.361 21.149 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.353 20.395 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.753 20.810 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.802 21.365 -1.482 1.00 0.00 H new ATOM 455 N GLN A 944 6.705 21.985 0.923 1.00 0.00 N ATOM 456 CA GLN A 944 6.774 23.358 1.394 1.00 0.00 C ATOM 457 C GLN A 944 7.477 24.240 0.360 1.00 0.00 C ATOM 458 O GLN A 944 6.952 25.280 -0.034 1.00 0.00 O ATOM 459 CB GLN A 944 7.476 23.437 2.751 1.00 0.00 C ATOM 460 CG GLN A 944 6.634 24.222 3.759 1.00 0.00 C ATOM 461 CD GLN A 944 7.209 24.093 5.171 1.00 0.00 C ATOM 462 OE1 GLN A 944 8.041 23.248 5.456 1.00 0.00 O ATOM 463 NE2 GLN A 944 6.719 24.975 6.037 1.00 0.00 N ATOM 0 H GLN A 944 6.965 21.283 1.615 1.00 0.00 H new ATOM 0 HA GLN A 944 5.757 23.728 1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 944 7.658 22.431 3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.449 23.915 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 944 6.601 25.273 3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 944 5.608 23.855 3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 944 6.024 25.656 5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 944 7.038 24.970 7.006 1.00 0.00 H new ATOM 472 N PRO A 945 8.685 23.779 -0.061 1.00 0.00 N ATOM 473 CA PRO A 945 9.466 24.514 -1.042 1.00 0.00 C ATOM 474 C PRO A 945 8.877 24.353 -2.444 1.00 0.00 C ATOM 475 O PRO A 945 8.660 25.338 -3.148 1.00 0.00 O ATOM 476 CB PRO A 945 10.875 23.956 -0.921 1.00 0.00 C ATOM 477 CG PRO A 945 10.734 22.618 -0.214 1.00 0.00 C ATOM 478 CD PRO A 945 9.338 22.551 0.383 1.00 0.00 C ATOM 0 HA PRO A 945 9.461 25.589 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.332 23.833 -1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.515 24.632 -0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.889 21.798 -0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.488 22.517 0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.801 21.669 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.375 22.493 1.471 1.00 0.00 H new ATOM 486 N ALA A 946 8.634 23.102 -2.809 1.00 0.00 N ATOM 487 CA ALA A 946 8.074 22.799 -4.115 1.00 0.00 C ATOM 488 C ALA A 946 7.115 23.918 -4.526 1.00 0.00 C ATOM 489 O ALA A 946 6.254 24.321 -3.745 1.00 0.00 O ATOM 490 CB ALA A 946 7.390 21.431 -4.072 1.00 0.00 C ATOM 0 H ALA A 946 8.815 22.287 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 946 8.861 22.747 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 946 6.970 21.203 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.120 20.667 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.592 21.446 -3.330 1.00 0.00 H new ATOM 496 N PRO A 947 7.300 24.400 -5.784 1.00 0.00 N ATOM 497 CA PRO A 947 6.462 25.465 -6.309 1.00 0.00 C ATOM 498 C PRO A 947 5.074 24.938 -6.678 1.00 0.00 C ATOM 499 O PRO A 947 4.811 23.741 -6.568 1.00 0.00 O ATOM 500 CB PRO A 947 7.226 26.016 -7.502 1.00 0.00 C ATOM 501 CG PRO A 947 8.234 24.943 -7.882 1.00 0.00 C ATOM 502 CD PRO A 947 8.310 23.947 -6.737 1.00 0.00 C ATOM 0 HA PRO A 947 6.273 26.251 -5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.553 26.231 -8.332 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.727 26.950 -7.248 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.931 24.444 -8.802 1.00 0.00 H new ATOM 0 HG3 PRO A 947 9.212 25.387 -8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 947 8.104 22.933 -7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.303 23.936 -6.287 1.00 0.00 H new ATOM 510 N PRO A 948 4.200 25.881 -7.121 1.00 0.00 N ATOM 511 CA PRO A 948 2.846 25.524 -7.508 1.00 0.00 C ATOM 512 C PRO A 948 2.831 24.822 -8.868 1.00 0.00 C ATOM 513 O PRO A 948 1.847 24.177 -9.226 1.00 0.00 O ATOM 514 CB PRO A 948 2.078 26.836 -7.508 1.00 0.00 C ATOM 515 CG PRO A 948 3.127 27.933 -7.576 1.00 0.00 C ATOM 516 CD PRO A 948 4.477 27.307 -7.265 1.00 0.00 C ATOM 0 HA PRO A 948 2.388 24.810 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.399 26.891 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.470 26.932 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 948 3.137 28.391 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.899 28.724 -6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 948 5.193 27.492 -8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.905 27.721 -6.352 1.00 0.00 H new ATOM 524 N GLU A 949 3.933 24.973 -9.587 1.00 0.00 N ATOM 525 CA GLU A 949 4.059 24.362 -10.900 1.00 0.00 C ATOM 526 C GLU A 949 4.599 22.936 -10.772 1.00 0.00 C ATOM 527 O GLU A 949 4.462 22.131 -11.692 1.00 0.00 O ATOM 528 CB GLU A 949 4.950 25.205 -11.814 1.00 0.00 C ATOM 529 CG GLU A 949 4.162 26.362 -12.432 1.00 0.00 C ATOM 530 CD GLU A 949 4.770 26.787 -13.770 1.00 0.00 C ATOM 531 OE1 GLU A 949 5.995 27.033 -13.784 1.00 0.00 O ATOM 532 OE2 GLU A 949 3.995 26.856 -14.749 1.00 0.00 O ATOM 0 H GLU A 949 4.747 25.509 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 949 3.069 24.316 -11.354 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.793 25.597 -11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.363 24.578 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 949 3.124 26.062 -12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 949 4.155 27.209 -11.746 1.00 0.00 H new ATOM 539 N GLU A 950 5.203 22.667 -9.623 1.00 0.00 N ATOM 540 CA GLU A 950 5.765 21.352 -9.363 1.00 0.00 C ATOM 541 C GLU A 950 4.887 20.588 -8.370 1.00 0.00 C ATOM 542 O GLU A 950 5.142 19.419 -8.083 1.00 0.00 O ATOM 543 CB GLU A 950 7.203 21.462 -8.853 1.00 0.00 C ATOM 544 CG GLU A 950 8.124 20.495 -9.600 1.00 0.00 C ATOM 545 CD GLU A 950 8.529 21.065 -10.961 1.00 0.00 C ATOM 546 OE1 GLU A 950 9.360 21.998 -10.961 1.00 0.00 O ATOM 547 OE2 GLU A 950 7.998 20.554 -11.971 1.00 0.00 O ATOM 0 H GLU A 950 5.315 23.337 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 950 5.789 20.796 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.561 22.483 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.232 21.246 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.015 20.301 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.619 19.539 -9.738 1.00 0.00 H new ATOM 554 N TYR A 951 3.872 21.278 -7.872 1.00 0.00 N ATOM 555 CA TYR A 951 2.956 20.679 -6.917 1.00 0.00 C ATOM 556 C TYR A 951 1.756 20.050 -7.629 1.00 0.00 C ATOM 557 O TYR A 951 1.340 18.943 -7.291 1.00 0.00 O ATOM 558 CB TYR A 951 2.464 21.823 -6.028 1.00 0.00 C ATOM 559 CG TYR A 951 1.723 21.361 -4.772 1.00 0.00 C ATOM 560 CD1 TYR A 951 1.598 20.014 -4.501 1.00 0.00 C ATOM 561 CD2 TYR A 951 1.181 22.292 -3.910 1.00 0.00 C ATOM 562 CE1 TYR A 951 0.900 19.579 -3.318 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.483 21.858 -2.727 1.00 0.00 C ATOM 564 CZ TYR A 951 0.378 20.523 -2.490 1.00 0.00 C ATOM 565 OH TYR A 951 -0.281 20.112 -1.373 1.00 0.00 O ATOM 0 H TYR A 951 3.664 22.247 -8.112 1.00 0.00 H new ATOM 0 HA TYR A 951 3.454 19.893 -6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.318 22.431 -5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 951 1.804 22.465 -6.611 1.00 0.00 H new ATOM 0 HD1 TYR A 951 2.023 19.286 -5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 951 1.280 23.346 -4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 951 0.794 18.528 -3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.053 22.576 -2.044 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.390 20.869 -0.760 1.00 0.00 H new ATOM 575 N VAL A 952 1.233 20.784 -8.600 1.00 0.00 N ATOM 576 CA VAL A 952 0.090 20.313 -9.362 1.00 0.00 C ATOM 577 C VAL A 952 0.407 18.936 -9.950 1.00 0.00 C ATOM 578 O VAL A 952 -0.404 18.015 -9.856 1.00 0.00 O ATOM 579 CB VAL A 952 -0.292 21.344 -10.426 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.544 20.671 -11.777 1.00 0.00 C ATOM 581 CG2 VAL A 952 -1.507 22.163 -9.986 1.00 0.00 C ATOM 0 H VAL A 952 1.580 21.702 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.779 20.198 -8.714 1.00 0.00 H new ATOM 0 HB VAL A 952 0.548 22.029 -10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.814 21.426 -12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.360 20.154 -12.100 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.358 19.952 -11.679 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.757 22.888 -10.761 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.355 21.498 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -1.276 22.688 -9.059 1.00 0.00 H new ATOM 591 N PRO A 953 1.618 18.837 -10.560 1.00 0.00 N ATOM 592 CA PRO A 953 2.052 17.588 -11.163 1.00 0.00 C ATOM 593 C PRO A 953 2.469 16.577 -10.092 1.00 0.00 C ATOM 594 O PRO A 953 1.893 15.495 -9.997 1.00 0.00 O ATOM 595 CB PRO A 953 3.192 17.975 -12.091 1.00 0.00 C ATOM 596 CG PRO A 953 3.661 19.345 -11.627 1.00 0.00 C ATOM 597 CD PRO A 953 2.604 19.906 -10.690 1.00 0.00 C ATOM 0 HA PRO A 953 1.257 17.090 -11.717 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.002 17.247 -12.040 1.00 0.00 H new ATOM 0 HB3 PRO A 953 2.858 18.007 -13.128 1.00 0.00 H new ATOM 0 HG2 PRO A 953 4.621 19.267 -11.117 1.00 0.00 H new ATOM 0 HG3 PRO A 953 3.806 20.008 -12.480 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.032 20.170 -9.723 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.155 20.812 -11.097 1.00 0.00 H new ATOM 605 N MET A 954 3.467 16.967 -9.313 1.00 0.00 N ATOM 606 CA MET A 954 3.968 16.109 -8.253 1.00 0.00 C ATOM 607 C MET A 954 2.844 15.256 -7.661 1.00 0.00 C ATOM 608 O MET A 954 3.014 14.056 -7.453 1.00 0.00 O ATOM 609 CB MET A 954 4.591 16.968 -7.151 1.00 0.00 C ATOM 610 CG MET A 954 4.815 16.150 -5.878 1.00 0.00 C ATOM 611 SD MET A 954 3.815 16.801 -4.550 1.00 0.00 S ATOM 612 CE MET A 954 4.622 18.373 -4.297 1.00 0.00 C ATOM 0 H MET A 954 3.942 17.866 -9.395 1.00 0.00 H new ATOM 0 HA MET A 954 4.720 15.443 -8.676 1.00 0.00 H new ATOM 0 HB2 MET A 954 5.541 17.376 -7.497 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.940 17.815 -6.933 1.00 0.00 H new ATOM 0 HG2 MET A 954 4.560 15.105 -6.058 1.00 0.00 H new ATOM 0 HG3 MET A 954 5.868 16.178 -5.599 1.00 0.00 H new ATOM 0 HE1 MET A 954 3.933 19.061 -3.807 1.00 0.00 H new ATOM 0 HE2 MET A 954 5.503 18.233 -3.670 1.00 0.00 H new ATOM 0 HE3 MET A 954 4.924 18.786 -5.259 1.00 0.00 H new ATOM 622 N VAL A 955 1.720 15.909 -7.407 1.00 0.00 N ATOM 623 CA VAL A 955 0.568 15.226 -6.843 1.00 0.00 C ATOM 624 C VAL A 955 0.010 14.241 -7.873 1.00 0.00 C ATOM 625 O VAL A 955 -0.136 13.054 -7.586 1.00 0.00 O ATOM 626 CB VAL A 955 -0.468 16.249 -6.372 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.762 15.557 -5.937 1.00 0.00 C ATOM 628 CG2 VAL A 955 0.094 17.119 -5.246 1.00 0.00 C ATOM 0 H VAL A 955 1.582 16.904 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 955 0.858 14.649 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.703 16.901 -7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.482 16.306 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -2.177 15.000 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.550 14.871 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.662 17.838 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.370 16.487 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.975 17.653 -5.604 1.00 0.00 H new ATOM 638 N LYS A 956 -0.286 14.771 -9.051 1.00 0.00 N ATOM 639 CA LYS A 956 -0.824 13.953 -10.125 1.00 0.00 C ATOM 640 C LYS A 956 0.003 12.671 -10.248 1.00 0.00 C ATOM 641 O LYS A 956 -0.540 11.603 -10.527 1.00 0.00 O ATOM 642 CB LYS A 956 -0.905 14.759 -11.423 1.00 0.00 C ATOM 643 CG LYS A 956 -2.358 15.079 -11.779 1.00 0.00 C ATOM 644 CD LYS A 956 -2.596 16.591 -11.803 1.00 0.00 C ATOM 645 CE LYS A 956 -2.711 17.105 -13.239 1.00 0.00 C ATOM 646 NZ LYS A 956 -3.606 18.283 -13.297 1.00 0.00 N ATOM 0 H LYS A 956 -0.164 15.756 -9.285 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.847 13.652 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -0.340 15.685 -11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.443 14.196 -12.234 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -2.600 14.654 -12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -3.025 14.614 -11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -3.507 16.828 -11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -1.777 17.100 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -1.724 17.372 -13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -3.096 16.316 -13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -3.673 18.620 -14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -4.552 18.017 -12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -3.222 19.041 -12.697 1.00 0.00 H new ATOM 660 N GLU A 957 1.302 12.820 -10.033 1.00 0.00 N ATOM 661 CA GLU A 957 2.208 11.688 -10.116 1.00 0.00 C ATOM 662 C GLU A 957 1.789 10.598 -9.126 1.00 0.00 C ATOM 663 O GLU A 957 1.614 9.442 -9.508 1.00 0.00 O ATOM 664 CB GLU A 957 3.654 12.124 -9.871 1.00 0.00 C ATOM 665 CG GLU A 957 4.391 12.346 -11.193 1.00 0.00 C ATOM 666 CD GLU A 957 4.762 13.820 -11.373 1.00 0.00 C ATOM 667 OE1 GLU A 957 3.881 14.574 -11.838 1.00 0.00 O ATOM 668 OE2 GLU A 957 5.919 14.158 -11.041 1.00 0.00 O ATOM 0 H GLU A 957 1.748 13.708 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 957 2.153 11.277 -11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 957 3.666 13.043 -9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.172 11.365 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 957 5.293 11.735 -11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 957 3.763 12.021 -12.023 1.00 0.00 H new ATOM 675 N VAL A 958 1.641 11.006 -7.875 1.00 0.00 N ATOM 676 CA VAL A 958 1.245 10.079 -6.828 1.00 0.00 C ATOM 677 C VAL A 958 0.117 9.184 -7.344 1.00 0.00 C ATOM 678 O VAL A 958 0.245 7.961 -7.353 1.00 0.00 O ATOM 679 CB VAL A 958 0.865 10.851 -5.562 1.00 0.00 C ATOM 680 CG1 VAL A 958 -0.200 10.099 -4.761 1.00 0.00 C ATOM 681 CG2 VAL A 958 2.098 11.135 -4.702 1.00 0.00 C ATOM 0 H VAL A 958 1.788 11.966 -7.562 1.00 0.00 H new ATOM 0 HA VAL A 958 2.077 9.429 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 958 0.442 11.808 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.452 10.669 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -1.093 9.971 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 958 0.185 9.121 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 958 1.800 11.684 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 958 2.563 10.193 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 958 2.811 11.730 -5.273 1.00 0.00 H new ATOM 691 N GLY A 959 -0.963 9.829 -7.761 1.00 0.00 N ATOM 692 CA GLY A 959 -2.113 9.107 -8.278 1.00 0.00 C ATOM 693 C GLY A 959 -1.678 8.001 -9.242 1.00 0.00 C ATOM 694 O GLY A 959 -2.175 6.878 -9.169 1.00 0.00 O ATOM 0 H GLY A 959 -1.066 10.844 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.676 8.673 -7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.781 9.799 -8.791 1.00 0.00 H new ATOM 698 N LEU A 960 -0.755 8.357 -10.123 1.00 0.00 N ATOM 699 CA LEU A 960 -0.248 7.409 -11.100 1.00 0.00 C ATOM 700 C LEU A 960 0.364 6.211 -10.372 1.00 0.00 C ATOM 701 O LEU A 960 0.069 5.063 -10.702 1.00 0.00 O ATOM 702 CB LEU A 960 0.717 8.100 -12.066 1.00 0.00 C ATOM 703 CG LEU A 960 0.343 8.035 -13.549 1.00 0.00 C ATOM 704 CD1 LEU A 960 0.493 9.405 -14.213 1.00 0.00 C ATOM 705 CD2 LEU A 960 1.152 6.956 -14.271 1.00 0.00 C ATOM 0 H LEU A 960 -0.345 9.289 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.061 7.026 -11.717 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.800 9.148 -11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.705 7.656 -11.941 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.708 7.754 -13.625 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.221 9.331 -15.266 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -0.162 10.123 -13.719 1.00 0.00 H new ATOM 0 HD13 LEU A 960 1.527 9.739 -14.128 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.867 6.930 -15.323 1.00 0.00 H new ATOM 0 HD22 LEU A 960 2.215 7.182 -14.188 1.00 0.00 H new ATOM 0 HD23 LEU A 960 0.951 5.986 -13.817 1.00 0.00 H new ATOM 717 N ALA A 961 1.205 6.519 -9.396 1.00 0.00 N ATOM 718 CA ALA A 961 1.861 5.482 -8.618 1.00 0.00 C ATOM 719 C ALA A 961 0.802 4.566 -8.001 1.00 0.00 C ATOM 720 O ALA A 961 0.884 3.345 -8.122 1.00 0.00 O ATOM 721 CB ALA A 961 2.761 6.127 -7.563 1.00 0.00 C ATOM 0 H ALA A 961 1.447 7.472 -9.126 1.00 0.00 H new ATOM 0 HA ALA A 961 2.496 4.868 -9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 961 3.253 5.349 -6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.514 6.743 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 961 2.158 6.750 -6.902 1.00 0.00 H new ATOM 727 N LEU A 962 -0.169 5.192 -7.351 1.00 0.00 N ATOM 728 CA LEU A 962 -1.244 4.449 -6.715 1.00 0.00 C ATOM 729 C LEU A 962 -1.941 3.574 -7.758 1.00 0.00 C ATOM 730 O LEU A 962 -2.178 2.390 -7.522 1.00 0.00 O ATOM 731 CB LEU A 962 -2.189 5.400 -5.978 1.00 0.00 C ATOM 732 CG LEU A 962 -1.625 6.068 -4.723 1.00 0.00 C ATOM 733 CD1 LEU A 962 -1.749 7.591 -4.809 1.00 0.00 C ATOM 734 CD2 LEU A 962 -2.286 5.510 -3.461 1.00 0.00 C ATOM 0 H LEU A 962 -0.234 6.205 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 962 -0.845 3.779 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.500 6.181 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.085 4.846 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 962 -0.562 5.835 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.341 8.041 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -1.196 7.953 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -2.799 7.865 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.867 6.002 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.360 5.693 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -2.103 4.437 -3.398 1.00 0.00 H new ATOM 746 N ARG A 963 -2.250 4.190 -8.890 1.00 0.00 N ATOM 747 CA ARG A 963 -2.915 3.482 -9.970 1.00 0.00 C ATOM 748 C ARG A 963 -2.225 2.142 -10.231 1.00 0.00 C ATOM 749 O ARG A 963 -2.871 1.096 -10.228 1.00 0.00 O ATOM 750 CB ARG A 963 -2.910 4.310 -11.257 1.00 0.00 C ATOM 751 CG ARG A 963 -3.595 3.555 -12.397 1.00 0.00 C ATOM 752 CD ARG A 963 -2.575 2.765 -13.221 1.00 0.00 C ATOM 753 NE ARG A 963 -2.649 3.172 -14.642 1.00 0.00 N ATOM 754 CZ ARG A 963 -1.702 2.902 -15.551 1.00 0.00 C ATOM 755 NH1 ARG A 963 -0.603 2.224 -15.192 1.00 0.00 N ATOM 756 NH2 ARG A 963 -1.853 3.311 -16.818 1.00 0.00 N ATOM 0 H ARG A 963 -2.052 5.172 -9.082 1.00 0.00 H new ATOM 0 HA ARG A 963 -3.948 3.309 -9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -3.420 5.258 -11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -1.884 4.546 -11.538 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -4.344 2.876 -11.990 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -4.121 4.260 -13.041 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -1.570 2.940 -12.836 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -2.770 1.697 -13.129 1.00 0.00 H new ATOM 0 HE ARG A 963 -3.472 3.690 -14.949 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -0.488 1.914 -14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 963 0.118 2.018 -15.884 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -2.689 3.828 -17.091 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -1.132 3.105 -17.510 1.00 0.00 H new ATOM 770 N THR A 964 -0.920 2.218 -10.451 1.00 0.00 N ATOM 771 CA THR A 964 -0.135 1.024 -10.714 1.00 0.00 C ATOM 772 C THR A 964 -0.255 0.040 -9.549 1.00 0.00 C ATOM 773 O THR A 964 -0.120 -1.168 -9.735 1.00 0.00 O ATOM 774 CB THR A 964 1.305 1.458 -10.998 1.00 0.00 C ATOM 775 OG1 THR A 964 1.309 1.757 -12.391 1.00 0.00 O ATOM 776 CG2 THR A 964 2.301 0.306 -10.861 1.00 0.00 C ATOM 0 H THR A 964 -0.387 3.088 -10.452 1.00 0.00 H new ATOM 0 HA THR A 964 -0.507 0.490 -11.589 1.00 0.00 H new ATOM 0 HB THR A 964 1.583 2.261 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 964 2.205 2.049 -12.660 1.00 0.00 H new ATOM 0 HG21 THR A 964 3.307 0.668 -11.073 1.00 0.00 H new ATOM 0 HG22 THR A 964 2.264 -0.089 -9.846 1.00 0.00 H new ATOM 0 HG23 THR A 964 2.043 -0.484 -11.567 1.00 0.00 H new ATOM 784 N LEU A 965 -0.506 0.594 -8.372 1.00 0.00 N ATOM 785 CA LEU A 965 -0.646 -0.219 -7.176 1.00 0.00 C ATOM 786 C LEU A 965 -1.799 -1.206 -7.368 1.00 0.00 C ATOM 787 O LEU A 965 -1.676 -2.383 -7.032 1.00 0.00 O ATOM 788 CB LEU A 965 -0.795 0.668 -5.938 1.00 0.00 C ATOM 789 CG LEU A 965 -0.246 0.093 -4.631 1.00 0.00 C ATOM 790 CD1 LEU A 965 1.245 -0.228 -4.757 1.00 0.00 C ATOM 791 CD2 LEU A 965 -0.533 1.031 -3.457 1.00 0.00 C ATOM 0 H LEU A 965 -0.616 1.597 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 965 0.255 -0.809 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -0.295 1.617 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.853 0.888 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.761 -0.846 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 965 1.610 -0.635 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 965 1.394 -0.960 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 965 1.794 0.683 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.133 0.599 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.062 1.997 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.610 1.166 -3.354 1.00 0.00 H new ATOM 803 N LEU A 966 -2.894 -0.690 -7.907 1.00 0.00 N ATOM 804 CA LEU A 966 -4.068 -1.512 -8.147 1.00 0.00 C ATOM 805 C LEU A 966 -3.696 -2.666 -9.080 1.00 0.00 C ATOM 806 O LEU A 966 -4.003 -3.822 -8.795 1.00 0.00 O ATOM 807 CB LEU A 966 -5.226 -0.654 -8.661 1.00 0.00 C ATOM 808 CG LEU A 966 -5.786 0.377 -7.678 1.00 0.00 C ATOM 809 CD1 LEU A 966 -4.845 1.576 -7.546 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.201 0.800 -8.075 1.00 0.00 C ATOM 0 H LEU A 966 -2.993 0.287 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.419 -1.956 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.893 -0.129 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -6.037 -1.317 -8.963 1.00 0.00 H new ATOM 0 HG LEU A 966 -5.853 -0.089 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.266 2.293 -6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -3.874 1.238 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -4.723 2.052 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -7.576 1.533 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.183 1.241 -9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -7.855 -0.072 -8.076 1.00 0.00 H new ATOM 822 N ALA A 967 -3.040 -2.311 -10.175 1.00 0.00 N ATOM 823 CA ALA A 967 -2.623 -3.303 -11.152 1.00 0.00 C ATOM 824 C ALA A 967 -1.678 -4.304 -10.484 1.00 0.00 C ATOM 825 O ALA A 967 -1.997 -5.487 -10.375 1.00 0.00 O ATOM 826 CB ALA A 967 -1.978 -2.601 -12.348 1.00 0.00 C ATOM 0 H ALA A 967 -2.787 -1.351 -10.407 1.00 0.00 H new ATOM 0 HA ALA A 967 -3.483 -3.860 -11.525 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.665 -3.345 -13.081 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -2.699 -1.923 -12.804 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.109 -2.035 -12.012 1.00 0.00 H new ATOM 832 N THR A 968 -0.534 -3.792 -10.054 1.00 0.00 N ATOM 833 CA THR A 968 0.460 -4.627 -9.400 1.00 0.00 C ATOM 834 C THR A 968 -0.204 -5.530 -8.359 1.00 0.00 C ATOM 835 O THR A 968 0.058 -6.731 -8.316 1.00 0.00 O ATOM 836 CB THR A 968 1.534 -3.710 -8.811 1.00 0.00 C ATOM 837 OG1 THR A 968 0.800 -2.777 -8.022 1.00 0.00 O ATOM 838 CG2 THR A 968 2.213 -2.845 -9.876 1.00 0.00 C ATOM 0 H THR A 968 -0.273 -2.810 -10.145 1.00 0.00 H new ATOM 0 HA THR A 968 0.940 -5.300 -10.110 1.00 0.00 H new ATOM 0 HB THR A 968 2.285 -4.312 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 968 0.520 -2.024 -8.583 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.966 -2.213 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.689 -3.487 -10.617 1.00 0.00 H new ATOM 0 HG23 THR A 968 1.467 -2.218 -10.365 1.00 0.00 H new ATOM 846 N VAL A 969 -1.051 -4.918 -7.545 1.00 0.00 N ATOM 847 CA VAL A 969 -1.755 -5.652 -6.507 1.00 0.00 C ATOM 848 C VAL A 969 -2.550 -6.793 -7.145 1.00 0.00 C ATOM 849 O VAL A 969 -2.584 -7.902 -6.615 1.00 0.00 O ATOM 850 CB VAL A 969 -2.630 -4.697 -5.692 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.627 -5.470 -4.827 1.00 0.00 C ATOM 852 CG2 VAL A 969 -1.772 -3.762 -4.837 1.00 0.00 C ATOM 0 H VAL A 969 -1.266 -3.922 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.047 -6.099 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.198 -4.084 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.236 -4.768 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.271 -6.074 -5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.085 -6.120 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.418 -3.094 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.165 -4.352 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.121 -3.173 -5.483 1.00 0.00 H new ATOM 862 N ASP A 970 -3.170 -6.481 -8.274 1.00 0.00 N ATOM 863 CA ASP A 970 -3.962 -7.467 -8.990 1.00 0.00 C ATOM 864 C ASP A 970 -3.146 -8.751 -9.150 1.00 0.00 C ATOM 865 O ASP A 970 -3.697 -9.850 -9.105 1.00 0.00 O ATOM 866 CB ASP A 970 -4.334 -6.965 -10.386 1.00 0.00 C ATOM 867 CG ASP A 970 -5.660 -7.498 -10.933 1.00 0.00 C ATOM 868 OD1 ASP A 970 -6.183 -8.454 -10.321 1.00 0.00 O ATOM 869 OD2 ASP A 970 -6.120 -6.937 -11.951 1.00 0.00 O ATOM 0 H ASP A 970 -3.140 -5.560 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 970 -4.872 -7.649 -8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -4.379 -5.876 -10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -3.537 -7.237 -11.078 1.00 0.00 H new ATOM 874 N GLU A 971 -1.847 -8.570 -9.334 1.00 0.00 N ATOM 875 CA GLU A 971 -0.950 -9.701 -9.501 1.00 0.00 C ATOM 876 C GLU A 971 -0.613 -10.317 -8.142 1.00 0.00 C ATOM 877 O GLU A 971 -0.256 -11.491 -8.059 1.00 0.00 O ATOM 878 CB GLU A 971 0.321 -9.288 -10.246 1.00 0.00 C ATOM 879 CG GLU A 971 0.044 -9.098 -11.739 1.00 0.00 C ATOM 880 CD GLU A 971 1.287 -9.415 -12.572 1.00 0.00 C ATOM 881 OE1 GLU A 971 2.222 -8.586 -12.534 1.00 0.00 O ATOM 882 OE2 GLU A 971 1.275 -10.479 -13.228 1.00 0.00 O ATOM 0 H GLU A 971 -1.394 -7.657 -9.371 1.00 0.00 H new ATOM 0 HA GLU A 971 -1.456 -10.455 -10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.709 -8.361 -9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 971 1.090 -10.048 -10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -0.778 -9.745 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -0.272 -8.072 -11.926 1.00 0.00 H new ATOM 889 N SER A 972 -0.737 -9.496 -7.109 1.00 0.00 N ATOM 890 CA SER A 972 -0.450 -9.945 -5.757 1.00 0.00 C ATOM 891 C SER A 972 -1.692 -10.598 -5.148 1.00 0.00 C ATOM 892 O SER A 972 -1.581 -11.474 -4.292 1.00 0.00 O ATOM 893 CB SER A 972 0.025 -8.785 -4.881 1.00 0.00 C ATOM 894 OG SER A 972 1.405 -8.899 -4.545 1.00 0.00 O ATOM 0 H SER A 972 -1.032 -8.522 -7.181 1.00 0.00 H new ATOM 0 HA SER A 972 0.353 -10.681 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.144 -7.843 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 972 -0.569 -8.754 -3.968 1.00 0.00 H new ATOM 0 HG SER A 972 1.566 -9.763 -4.111 1.00 0.00 H new ATOM 900 N LEU A 973 -2.848 -10.145 -5.612 1.00 0.00 N ATOM 901 CA LEU A 973 -4.110 -10.674 -5.123 1.00 0.00 C ATOM 902 C LEU A 973 -4.012 -12.197 -5.018 1.00 0.00 C ATOM 903 O LEU A 973 -4.334 -12.773 -3.979 1.00 0.00 O ATOM 904 CB LEU A 973 -5.268 -10.191 -5.999 1.00 0.00 C ATOM 905 CG LEU A 973 -6.440 -9.541 -5.261 1.00 0.00 C ATOM 906 CD1 LEU A 973 -7.771 -9.895 -5.927 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.427 -9.911 -3.776 1.00 0.00 C ATOM 0 H LEU A 973 -2.937 -9.417 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.319 -10.298 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -4.877 -9.475 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.648 -11.041 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.325 -8.459 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -8.588 -9.420 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -7.768 -9.541 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -7.907 -10.976 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.270 -9.436 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.505 -10.993 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -5.496 -9.568 -3.324 1.00 0.00 H new ATOM 919 N PRO A 974 -3.555 -12.823 -6.135 1.00 0.00 N ATOM 920 CA PRO A 974 -3.412 -14.268 -6.178 1.00 0.00 C ATOM 921 C PRO A 974 -2.187 -14.722 -5.382 1.00 0.00 C ATOM 922 O PRO A 974 -2.209 -15.775 -4.746 1.00 0.00 O ATOM 923 CB PRO A 974 -3.319 -14.611 -7.656 1.00 0.00 C ATOM 924 CG PRO A 974 -2.948 -13.317 -8.361 1.00 0.00 C ATOM 925 CD PRO A 974 -3.165 -12.174 -7.383 1.00 0.00 C ATOM 0 HA PRO A 974 -4.251 -14.787 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.568 -15.381 -7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.267 -15.000 -8.027 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -1.909 -13.346 -8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.561 -13.179 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.257 -11.584 -7.256 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -3.941 -11.494 -7.735 1.00 0.00 H new ATOM 933 N VAL A 975 -1.146 -13.903 -5.441 1.00 0.00 N ATOM 934 CA VAL A 975 0.086 -14.207 -4.733 1.00 0.00 C ATOM 935 C VAL A 975 -0.244 -14.618 -3.297 1.00 0.00 C ATOM 936 O VAL A 975 0.445 -15.452 -2.712 1.00 0.00 O ATOM 937 CB VAL A 975 1.041 -13.014 -4.810 1.00 0.00 C ATOM 938 CG1 VAL A 975 2.130 -13.114 -3.739 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.654 -12.891 -6.206 1.00 0.00 C ATOM 0 H VAL A 975 -1.131 -13.030 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 975 0.599 -15.047 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 975 0.464 -12.110 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.795 -12.254 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.669 -13.129 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.702 -14.030 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 975 2.329 -12.035 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 975 2.210 -13.799 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.861 -12.751 -6.941 1.00 0.00 H new ATOM 949 N LEU A 976 -1.298 -14.012 -2.769 1.00 0.00 N ATOM 950 CA LEU A 976 -1.727 -14.304 -1.412 1.00 0.00 C ATOM 951 C LEU A 976 -3.043 -15.084 -1.455 1.00 0.00 C ATOM 952 O LEU A 976 -3.756 -15.051 -2.457 1.00 0.00 O ATOM 953 CB LEU A 976 -1.801 -13.019 -0.585 1.00 0.00 C ATOM 954 CG LEU A 976 -0.561 -12.124 -0.624 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.708 -12.935 -0.354 1.00 0.00 C ATOM 956 CD2 LEU A 976 -0.480 -11.355 -1.944 1.00 0.00 C ATOM 0 H LEU A 976 -1.867 -13.320 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 976 -0.996 -14.937 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.656 -12.437 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -1.997 -13.289 0.453 1.00 0.00 H new ATOM 0 HG LEU A 976 -0.648 -11.385 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.575 -12.276 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.642 -13.398 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.813 -13.710 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 976 0.411 -10.727 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -0.427 -12.060 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -1.366 -10.729 -2.055 1.00 0.00 H new ATOM 968 N PRO A 977 -3.332 -15.786 -0.327 1.00 0.00 N ATOM 969 CA PRO A 977 -4.549 -16.573 -0.227 1.00 0.00 C ATOM 970 C PRO A 977 -5.769 -15.673 -0.021 1.00 0.00 C ATOM 971 O PRO A 977 -5.631 -14.460 0.130 1.00 0.00 O ATOM 972 CB PRO A 977 -4.309 -17.523 0.935 1.00 0.00 C ATOM 973 CG PRO A 977 -3.163 -16.923 1.734 1.00 0.00 C ATOM 974 CD PRO A 977 -2.511 -15.849 0.878 1.00 0.00 C ATOM 0 HA PRO A 977 -4.767 -17.128 -1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -5.204 -17.622 1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -4.055 -18.521 0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.530 -16.497 2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -2.438 -17.693 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.491 -14.889 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.478 -16.105 0.641 1.00 0.00 H new ATOM 982 N ALA A 978 -6.935 -16.302 -0.020 1.00 0.00 N ATOM 983 CA ALA A 978 -8.178 -15.573 0.165 1.00 0.00 C ATOM 984 C ALA A 978 -8.396 -15.314 1.658 1.00 0.00 C ATOM 985 O ALA A 978 -9.473 -15.582 2.187 1.00 0.00 O ATOM 986 CB ALA A 978 -9.330 -16.359 -0.464 1.00 0.00 C ATOM 0 H ALA A 978 -7.045 -17.308 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.132 -14.605 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -10.262 -15.812 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -9.142 -16.490 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -9.408 -17.336 0.014 1.00 0.00 H new ATOM 992 N SER A 979 -7.355 -14.796 2.293 1.00 0.00 N ATOM 993 CA SER A 979 -7.418 -14.499 3.714 1.00 0.00 C ATOM 994 C SER A 979 -7.213 -13.000 3.945 1.00 0.00 C ATOM 995 O SER A 979 -7.594 -12.471 4.988 1.00 0.00 O ATOM 996 CB SER A 979 -6.375 -15.303 4.492 1.00 0.00 C ATOM 997 OG SER A 979 -6.977 -16.265 5.354 1.00 0.00 O ATOM 0 H SER A 979 -6.463 -14.574 1.850 1.00 0.00 H new ATOM 0 HA SER A 979 -8.404 -14.785 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 979 -5.711 -15.809 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 979 -5.759 -14.624 5.081 1.00 0.00 H new ATOM 0 HG SER A 979 -6.807 -17.166 5.008 1.00 0.00 H new ATOM 1003 N THR A 980 -6.611 -12.358 2.954 1.00 0.00 N ATOM 1004 CA THR A 980 -6.351 -10.931 3.035 1.00 0.00 C ATOM 1005 C THR A 980 -7.120 -10.185 1.943 1.00 0.00 C ATOM 1006 O THR A 980 -7.175 -8.957 1.946 1.00 0.00 O ATOM 1007 CB THR A 980 -4.837 -10.722 2.963 1.00 0.00 C ATOM 1008 OG1 THR A 980 -4.689 -9.316 2.787 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.222 -11.323 1.698 1.00 0.00 C ATOM 0 H THR A 980 -6.296 -12.800 2.091 1.00 0.00 H new ATOM 0 HA THR A 980 -6.707 -10.517 3.979 1.00 0.00 H new ATOM 0 HB THR A 980 -4.367 -11.166 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 980 -5.571 -8.889 2.807 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.146 -11.147 1.697 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.414 -12.396 1.674 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.667 -10.856 0.820 1.00 0.00 H new ATOM 1017 N HIS A 981 -7.694 -10.960 1.034 1.00 0.00 N ATOM 1018 CA HIS A 981 -8.458 -10.388 -0.062 1.00 0.00 C ATOM 1019 C HIS A 981 -9.439 -9.348 0.484 1.00 0.00 C ATOM 1020 O HIS A 981 -9.385 -8.179 0.104 1.00 0.00 O ATOM 1021 CB HIS A 981 -9.148 -11.486 -0.874 1.00 0.00 C ATOM 1022 CG HIS A 981 -8.196 -12.373 -1.641 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -8.532 -12.970 -2.843 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -6.916 -12.756 -1.365 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -7.494 -13.680 -3.262 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -6.494 -13.546 -2.344 1.00 0.00 N ATOM 0 H HIS A 981 -7.645 -11.979 1.034 1.00 0.00 H new ATOM 0 HA HIS A 981 -7.786 -9.876 -0.751 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -9.741 -12.104 -0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -9.842 -11.023 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -6.343 -12.465 -0.497 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -7.448 -14.262 -4.170 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -5.573 -13.981 -2.401 1.00 0.00 H new ATOM 1034 N ARG A 982 -10.313 -9.812 1.365 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.305 -8.937 1.966 1.00 0.00 C ATOM 1036 C ARG A 982 -10.660 -7.615 2.388 1.00 0.00 C ATOM 1037 O ARG A 982 -10.908 -6.576 1.777 1.00 0.00 O ATOM 1038 CB ARG A 982 -11.950 -9.594 3.188 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.402 -9.979 2.900 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.065 -10.587 4.138 1.00 0.00 C ATOM 1041 NE ARG A 982 -14.000 -12.064 4.073 1.00 0.00 N ATOM 1042 CZ ARG A 982 -14.868 -12.825 3.391 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -15.871 -12.252 2.712 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -14.732 -14.158 3.389 1.00 0.00 N ATOM 0 H ARG A 982 -10.355 -10.782 1.677 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.076 -8.747 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -11.384 -10.482 3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -11.913 -8.910 4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -13.959 -9.098 2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.436 -10.693 2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -13.565 -10.232 5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -15.104 -10.263 4.201 1.00 0.00 H new ATOM 0 HE ARG A 982 -13.248 -12.532 4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -15.974 -11.237 2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -16.532 -12.831 2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -13.968 -14.594 3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -15.392 -14.737 2.870 1.00 0.00 H new ATOM 1058 N GLU A 983 -9.845 -7.696 3.430 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.164 -6.518 3.940 1.00 0.00 C ATOM 1060 C GLU A 983 -8.487 -5.760 2.797 1.00 0.00 C ATOM 1061 O GLU A 983 -8.622 -4.542 2.689 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.150 -6.897 5.022 1.00 0.00 C ATOM 1063 CG GLU A 983 -8.791 -6.862 6.410 1.00 0.00 C ATOM 1064 CD GLU A 983 -7.953 -7.646 7.422 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -7.831 -8.874 7.226 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -7.453 -6.999 8.367 1.00 0.00 O ATOM 0 H GLU A 983 -9.641 -8.559 3.935 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.906 -5.862 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -7.757 -7.894 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.305 -6.209 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -8.894 -5.829 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -9.795 -7.282 6.361 1.00 0.00 H new ATOM 1073 N ILE A 984 -7.773 -6.511 1.971 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.075 -5.924 0.840 1.00 0.00 C ATOM 1075 C ILE A 984 -8.049 -5.057 0.039 1.00 0.00 C ATOM 1076 O ILE A 984 -7.747 -3.906 -0.275 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.395 -7.013 0.007 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.034 -7.385 0.599 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.286 -6.593 -1.460 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.518 -8.698 0.006 1.00 0.00 C ATOM 0 H ILE A 984 -7.663 -7.521 2.063 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.274 -5.270 1.185 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.017 -7.908 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.318 -6.587 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.118 -7.479 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.799 -7.384 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -7.283 -6.417 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.698 -5.678 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.549 -8.939 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.225 -9.499 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.412 -8.593 -1.074 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.198 -5.641 -0.267 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.217 -4.936 -1.025 1.00 0.00 C ATOM 1094 C GLU A 985 -10.498 -3.570 -0.394 1.00 0.00 C ATOM 1095 O GLU A 985 -10.498 -2.552 -1.084 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.498 -5.766 -1.126 1.00 0.00 C ATOM 1097 CG GLU A 985 -12.122 -5.644 -2.518 1.00 0.00 C ATOM 1098 CD GLU A 985 -13.304 -4.673 -2.505 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.091 -3.525 -2.059 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -14.395 -5.100 -2.942 1.00 0.00 O ATOM 0 H GLU A 985 -9.446 -6.595 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.845 -4.778 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.276 -6.812 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.212 -5.433 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -11.371 -5.299 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -12.456 -6.624 -2.858 1.00 0.00 H new ATOM 1107 N MET A 986 -10.730 -3.593 0.910 1.00 0.00 N ATOM 1108 CA MET A 986 -11.011 -2.370 1.642 1.00 0.00 C ATOM 1109 C MET A 986 -9.748 -1.520 1.795 1.00 0.00 C ATOM 1110 O MET A 986 -9.827 -0.297 1.896 1.00 0.00 O ATOM 1111 CB MET A 986 -11.564 -2.718 3.026 1.00 0.00 C ATOM 1112 CG MET A 986 -13.094 -2.731 3.018 1.00 0.00 C ATOM 1113 SD MET A 986 -13.698 -4.107 3.980 1.00 0.00 S ATOM 1114 CE MET A 986 -13.852 -5.338 2.696 1.00 0.00 C ATOM 0 H MET A 986 -10.729 -4.440 1.479 1.00 0.00 H new ATOM 0 HA MET A 986 -11.748 -1.795 1.081 1.00 0.00 H new ATOM 0 HB2 MET A 986 -11.190 -3.694 3.336 1.00 0.00 H new ATOM 0 HB3 MET A 986 -11.207 -1.993 3.757 1.00 0.00 H new ATOM 0 HG2 MET A 986 -13.476 -1.795 3.427 1.00 0.00 H new ATOM 0 HG3 MET A 986 -13.460 -2.804 1.994 1.00 0.00 H new ATOM 0 HE1 MET A 986 -13.763 -6.333 3.133 1.00 0.00 H new ATOM 0 HE2 MET A 986 -14.824 -5.240 2.212 1.00 0.00 H new ATOM 0 HE3 MET A 986 -13.063 -5.194 1.958 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.612 -2.202 1.808 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.334 -1.525 1.947 1.00 0.00 C ATOM 1126 C ALA A 987 -7.089 -0.650 0.716 1.00 0.00 C ATOM 1127 O ALA A 987 -6.550 0.450 0.830 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.228 -2.561 2.156 1.00 0.00 C ATOM 0 H ALA A 987 -8.550 -3.217 1.725 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.338 -0.872 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.269 -2.053 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.434 -3.136 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.192 -3.233 1.298 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.496 -1.171 -0.432 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.327 -0.451 -1.682 1.00 0.00 C ATOM 1136 C GLN A 988 -8.200 0.805 -1.694 1.00 0.00 C ATOM 1137 O GLN A 988 -7.744 1.878 -2.086 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.644 -1.350 -2.879 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.494 -2.320 -3.156 1.00 0.00 C ATOM 1140 CD GLN A 988 -5.929 -2.114 -4.563 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -5.043 -1.308 -4.793 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -6.490 -2.887 -5.490 1.00 0.00 N ATOM 0 H GLN A 988 -7.943 -2.084 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.284 -0.145 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.559 -1.911 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -7.827 -0.736 -3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -5.705 -2.174 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -6.845 -3.346 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -7.228 -3.541 -5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -6.182 -2.825 -6.460 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.439 0.630 -1.259 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.379 1.737 -1.214 1.00 0.00 C ATOM 1153 C LYS A 989 -9.920 2.748 -0.162 1.00 0.00 C ATOM 1154 O LYS A 989 -10.188 3.942 -0.285 1.00 0.00 O ATOM 1155 CB LYS A 989 -11.803 1.221 -0.992 1.00 0.00 C ATOM 1156 CG LYS A 989 -12.657 1.413 -2.246 1.00 0.00 C ATOM 1157 CD LYS A 989 -13.302 0.094 -2.677 1.00 0.00 C ATOM 1158 CE LYS A 989 -14.803 0.270 -2.918 1.00 0.00 C ATOM 1159 NZ LYS A 989 -15.232 -0.508 -4.101 1.00 0.00 N ATOM 0 H LYS A 989 -9.814 -0.261 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.399 2.259 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -11.773 0.164 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.258 1.748 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -13.432 2.155 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -12.039 1.801 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -12.824 -0.268 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -13.140 -0.662 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.359 -0.056 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.032 1.325 -3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -16.253 -0.378 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -14.714 -0.178 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -15.031 -1.516 -3.945 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.237 2.233 0.850 1.00 0.00 N ATOM 1174 CA LEU A 990 -8.738 3.076 1.923 1.00 0.00 C ATOM 1175 C LEU A 990 -7.656 4.008 1.372 1.00 0.00 C ATOM 1176 O LEU A 990 -7.764 5.228 1.488 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.272 2.222 3.103 1.00 0.00 C ATOM 1178 CG LEU A 990 -8.660 2.730 4.493 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -8.237 1.737 5.578 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.094 4.129 4.744 1.00 0.00 C ATOM 0 H LEU A 990 -9.017 1.242 0.949 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.536 3.708 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -8.675 1.217 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -7.186 2.138 3.059 1.00 0.00 H new ATOM 0 HG LEU A 990 -9.746 2.810 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.525 2.122 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -8.729 0.779 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -7.156 1.601 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.385 4.466 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.007 4.099 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.487 4.820 3.998 1.00 0.00 H new ATOM 1192 N LEU A 991 -6.636 3.397 0.786 1.00 0.00 N ATOM 1193 CA LEU A 991 -5.536 4.156 0.218 1.00 0.00 C ATOM 1194 C LEU A 991 -6.084 5.155 -0.803 1.00 0.00 C ATOM 1195 O LEU A 991 -5.896 6.362 -0.659 1.00 0.00 O ATOM 1196 CB LEU A 991 -4.473 3.214 -0.353 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.378 3.870 -1.196 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -2.819 5.112 -0.498 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -2.279 2.865 -1.546 1.00 0.00 C ATOM 0 H LEU A 991 -6.549 2.385 0.693 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.033 4.735 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -3.999 2.688 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -4.973 2.462 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 991 -3.822 4.201 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.042 5.559 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.621 5.834 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.395 4.828 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -1.513 3.357 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -1.831 2.482 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -2.708 2.039 -2.113 1.00 0.00 H new ATOM 1211 N ASN A 992 -6.751 4.615 -1.812 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.328 5.444 -2.857 1.00 0.00 C ATOM 1213 C ASN A 992 -8.046 6.635 -2.219 1.00 0.00 C ATOM 1214 O ASN A 992 -7.885 7.771 -2.663 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.353 4.659 -3.679 1.00 0.00 C ATOM 1216 CG ASN A 992 -8.653 5.368 -5.002 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -8.850 6.570 -5.061 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -8.675 4.558 -6.056 1.00 0.00 N ATOM 0 H ASN A 992 -6.905 3.613 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 992 -6.520 5.776 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -7.975 3.656 -3.877 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.273 4.545 -3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -8.865 4.934 -6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -8.501 3.560 -5.936 1.00 0.00 H new ATOM 1225 N SER A 993 -8.821 6.335 -1.188 1.00 0.00 N ATOM 1226 CA SER A 993 -9.563 7.367 -0.484 1.00 0.00 C ATOM 1227 C SER A 993 -8.646 8.551 -0.173 1.00 0.00 C ATOM 1228 O SER A 993 -8.728 9.592 -0.823 1.00 0.00 O ATOM 1229 CB SER A 993 -10.180 6.820 0.805 1.00 0.00 C ATOM 1230 OG SER A 993 -11.599 6.951 0.815 1.00 0.00 O ATOM 0 H SER A 993 -8.952 5.392 -0.823 1.00 0.00 H new ATOM 0 HA SER A 993 -10.375 7.704 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 993 -9.912 5.769 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 993 -9.761 7.349 1.661 1.00 0.00 H new ATOM 0 HG SER A 993 -11.955 6.589 1.653 1.00 0.00 H new ATOM 1236 N ASP A 994 -7.794 8.353 0.822 1.00 0.00 N ATOM 1237 CA ASP A 994 -6.862 9.391 1.228 1.00 0.00 C ATOM 1238 C ASP A 994 -6.139 9.932 -0.007 1.00 0.00 C ATOM 1239 O ASP A 994 -5.792 11.111 -0.062 1.00 0.00 O ATOM 1240 CB ASP A 994 -5.808 8.840 2.190 1.00 0.00 C ATOM 1241 CG ASP A 994 -6.240 8.780 3.656 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.163 7.987 3.944 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -5.637 9.527 4.457 1.00 0.00 O ATOM 0 H ASP A 994 -7.730 7.488 1.359 1.00 0.00 H new ATOM 0 HA ASP A 994 -7.429 10.177 1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -5.532 7.836 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -4.912 9.456 2.116 1.00 0.00 H new ATOM 1248 N LEU A 995 -5.932 9.044 -0.969 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.256 9.417 -2.199 1.00 0.00 C ATOM 1250 C LEU A 995 -6.032 10.546 -2.881 1.00 0.00 C ATOM 1251 O LEU A 995 -5.502 11.638 -3.079 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.047 8.190 -3.089 1.00 0.00 C ATOM 1253 CG LEU A 995 -5.372 8.374 -4.573 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -4.686 9.621 -5.134 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -5.020 7.117 -5.371 1.00 0.00 C ATOM 0 H LEU A 995 -6.221 8.067 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.258 9.800 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.007 7.875 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -5.660 7.376 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 995 -6.447 8.527 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -4.933 9.728 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -5.029 10.501 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.606 9.523 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -5.261 7.274 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -3.955 6.908 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -5.593 6.272 -4.990 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.277 10.243 -3.221 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.132 11.218 -3.876 1.00 0.00 C ATOM 1269 C ALA A 996 -8.165 12.502 -3.044 1.00 0.00 C ATOM 1270 O ALA A 996 -7.876 13.584 -3.553 1.00 0.00 O ATOM 1271 CB ALA A 996 -9.525 10.620 -4.081 1.00 0.00 C ATOM 0 H ALA A 996 -7.713 9.336 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 996 -7.739 11.473 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.166 11.352 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -9.450 9.728 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -9.953 10.354 -3.114 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.519 12.339 -1.777 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.593 13.471 -0.870 1.00 0.00 C ATOM 1279 C GLU A 997 -7.280 14.256 -0.891 1.00 0.00 C ATOM 1280 O GLU A 997 -7.255 15.441 -0.564 1.00 0.00 O ATOM 1281 CB GLU A 997 -8.936 13.014 0.549 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.289 14.208 1.439 1.00 0.00 C ATOM 1283 CD GLU A 997 -10.744 14.634 1.234 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.604 14.081 1.954 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -10.964 15.502 0.363 1.00 0.00 O ATOM 0 H GLU A 997 -8.757 11.440 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.392 14.130 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.775 12.318 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -8.090 12.475 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -9.127 13.947 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -8.626 15.043 1.212 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.220 13.562 -1.279 1.00 0.00 N ATOM 1293 CA LEU A 998 -4.906 14.179 -1.347 1.00 0.00 C ATOM 1294 C LEU A 998 -4.905 15.248 -2.442 1.00 0.00 C ATOM 1295 O LEU A 998 -4.455 16.370 -2.218 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.822 13.114 -1.527 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.441 13.462 -0.969 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.928 12.356 -0.044 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -1.455 13.767 -2.098 1.00 0.00 C ATOM 0 H LEU A 998 -6.244 12.579 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.673 14.682 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.162 12.194 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.720 12.905 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.534 14.367 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.945 12.629 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -2.619 12.229 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -1.854 11.422 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.481 14.011 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -1.361 12.894 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -1.820 14.613 -2.681 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.414 14.861 -3.602 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.478 15.772 -4.732 1.00 0.00 C ATOM 1313 C ILE A 999 -6.383 16.953 -4.379 1.00 0.00 C ATOM 1314 O ILE A 999 -5.945 18.103 -4.396 1.00 0.00 O ATOM 1315 CB ILE A 999 -5.905 15.026 -5.998 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -4.827 14.035 -6.441 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.276 16.006 -7.113 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -5.073 12.651 -5.837 1.00 0.00 C ATOM 0 H ILE A 999 -5.786 13.929 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.491 16.181 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.799 14.447 -5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -4.818 13.965 -7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -3.846 14.399 -6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.576 15.450 -8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -7.102 16.636 -6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.415 16.631 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -4.293 11.966 -6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -5.058 12.721 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -6.044 12.279 -6.163 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.630 16.630 -4.068 1.00 0.00 N ATOM 1331 CA ASN A1000 -8.601 17.650 -3.711 1.00 0.00 C ATOM 1332 C ASN A1000 -7.970 18.621 -2.711 1.00 0.00 C ATOM 1333 O ASN A1000 -8.132 19.835 -2.832 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.835 17.030 -3.053 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.969 18.052 -2.942 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.950 18.951 -2.118 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.954 17.863 -3.815 1.00 0.00 N ATOM 0 H ASN A1000 -7.990 15.676 -4.056 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.900 18.165 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -10.170 16.172 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.576 16.660 -2.061 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -12.757 18.492 -3.821 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -11.906 17.090 -4.478 1.00 0.00 H new ATOM 1344 N LYS A1001 -7.264 18.051 -1.746 1.00 0.00 N ATOM 1345 CA LYS A1001 -6.608 18.851 -0.725 1.00 0.00 C ATOM 1346 C LYS A1001 -5.553 19.743 -1.383 1.00 0.00 C ATOM 1347 O LYS A1001 -5.691 20.965 -1.398 1.00 0.00 O ATOM 1348 CB LYS A1001 -6.051 17.954 0.383 1.00 0.00 C ATOM 1349 CG LYS A1001 -7.125 17.644 1.428 1.00 0.00 C ATOM 1350 CD LYS A1001 -7.292 18.809 2.405 1.00 0.00 C ATOM 1351 CE LYS A1001 -8.447 18.550 3.374 1.00 0.00 C ATOM 1352 NZ LYS A1001 -9.192 19.801 3.639 1.00 0.00 N ATOM 0 H LYS A1001 -7.132 17.044 -1.649 1.00 0.00 H new ATOM 0 HA LYS A1001 -7.326 19.511 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -5.679 17.025 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -5.203 18.445 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -8.074 17.443 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.855 16.741 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -6.368 18.954 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -7.477 19.729 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -9.119 17.801 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -8.061 18.145 4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -9.972 19.607 4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -8.551 20.505 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -9.577 20.172 2.747 1.00 0.00 H new ATOM 1366 N MET A1002 -4.523 19.097 -1.910 1.00 0.00 N ATOM 1367 CA MET A1002 -3.446 19.816 -2.568 1.00 0.00 C ATOM 1368 C MET A1002 -3.993 20.780 -3.622 1.00 0.00 C ATOM 1369 O MET A1002 -3.360 21.787 -3.936 1.00 0.00 O ATOM 1370 CB MET A1002 -2.496 18.818 -3.232 1.00 0.00 C ATOM 1371 CG MET A1002 -2.859 18.612 -4.704 1.00 0.00 C ATOM 1372 SD MET A1002 -2.054 19.847 -5.710 1.00 0.00 S ATOM 1373 CE MET A1002 -2.479 19.248 -7.337 1.00 0.00 C ATOM 0 H MET A1002 -4.412 18.083 -1.894 1.00 0.00 H new ATOM 0 HA MET A1002 -2.910 20.396 -1.817 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.471 19.179 -3.154 1.00 0.00 H new ATOM 0 HB3 MET A1002 -2.539 17.864 -2.706 1.00 0.00 H new ATOM 0 HG2 MET A1002 -2.556 17.615 -5.026 1.00 0.00 H new ATOM 0 HG3 MET A1002 -3.940 18.674 -4.833 1.00 0.00 H new ATOM 0 HE1 MET A1002 -2.874 20.069 -7.935 1.00 0.00 H new ATOM 0 HE2 MET A1002 -1.589 18.843 -7.819 1.00 0.00 H new ATOM 0 HE3 MET A1002 -3.233 18.466 -7.251 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.164 20.438 -4.140 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.803 21.260 -5.152 1.00 0.00 C ATOM 1385 C LYS A1003 -6.047 22.661 -4.587 1.00 0.00 C ATOM 1386 O LYS A1003 -5.799 23.659 -5.262 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.070 20.579 -5.674 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.842 19.989 -7.067 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.154 19.905 -7.849 1.00 0.00 C ATOM 1390 CE LYS A1003 -8.630 21.296 -8.273 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.078 21.283 -9.683 1.00 0.00 N ATOM 0 H LYS A1003 -5.686 19.602 -3.877 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.150 21.374 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.372 19.790 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -7.886 21.300 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.128 20.604 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.404 18.995 -6.977 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.016 19.279 -8.731 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -8.917 19.427 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -9.447 21.619 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -7.822 22.017 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -9.398 22.235 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -8.288 20.995 -10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -9.863 20.610 -9.792 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.528 22.691 -3.353 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.808 23.953 -2.689 1.00 0.00 C ATOM 1407 C LEU A1004 -5.498 24.556 -2.178 1.00 0.00 C ATOM 1408 O LEU A1004 -5.366 25.776 -2.085 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.863 23.762 -1.598 1.00 0.00 C ATOM 1410 CG LEU A1004 -9.034 22.842 -1.951 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.910 22.575 -0.726 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.842 23.408 -3.121 1.00 0.00 C ATOM 0 H LEU A1004 -6.731 21.861 -2.795 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.236 24.667 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -7.371 23.366 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -8.263 24.740 -1.332 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.630 21.882 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -10.735 21.919 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -9.313 22.098 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -10.308 23.518 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.668 22.735 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.236 24.388 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.198 23.505 -3.995 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.561 23.674 -1.860 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.266 24.105 -1.361 1.00 0.00 C ATOM 1426 C ALA A1005 -2.638 25.079 -2.359 1.00 0.00 C ATOM 1427 O ALA A1005 -1.837 25.931 -1.980 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.384 22.881 -1.108 1.00 0.00 C ATOM 0 H ALA A1005 -4.673 22.663 -1.938 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.376 24.630 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.412 23.204 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.861 22.235 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -2.249 22.331 -2.039 1.00 0.00 H new ATOM 1434 N GLN A1006 -3.026 24.921 -3.616 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.511 25.776 -4.672 1.00 0.00 C ATOM 1436 C GLN A1006 -3.447 26.966 -4.896 1.00 0.00 C ATOM 1437 O GLN A1006 -3.049 27.973 -5.479 1.00 0.00 O ATOM 1438 CB GLN A1006 -2.308 24.987 -5.967 1.00 0.00 C ATOM 1439 CG GLN A1006 -1.052 25.457 -6.704 1.00 0.00 C ATOM 1440 CD GLN A1006 -1.114 25.083 -8.186 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -0.481 24.146 -8.644 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -1.911 25.866 -8.909 1.00 0.00 N ATOM 0 H GLN A1006 -3.691 24.213 -3.927 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.538 26.157 -4.361 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -2.225 23.924 -5.740 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -3.179 25.108 -6.611 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -0.949 26.537 -6.602 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -0.169 25.008 -6.249 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -2.413 26.634 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -2.020 25.698 -9.909 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.674 26.810 -4.420 1.00 0.00 N ATOM 1452 CA GLN A1007 -5.670 27.858 -4.561 1.00 0.00 C ATOM 1453 C GLN A1007 -5.796 28.649 -3.258 1.00 0.00 C ATOM 1454 O GLN A1007 -6.574 29.598 -3.176 1.00 0.00 O ATOM 1455 CB GLN A1007 -7.021 27.278 -4.983 1.00 0.00 C ATOM 1456 CG GLN A1007 -7.822 28.292 -5.802 1.00 0.00 C ATOM 1457 CD GLN A1007 -8.896 28.964 -4.944 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -9.531 28.348 -4.103 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -9.064 30.258 -5.202 1.00 0.00 N ATOM 0 H GLN A1007 -5.001 25.973 -3.936 1.00 0.00 H new ATOM 0 HA GLN A1007 -5.343 28.539 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.865 26.373 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -7.589 26.990 -4.099 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -7.150 29.048 -6.208 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -8.289 27.792 -6.650 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -8.499 30.713 -5.919 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -9.758 30.796 -4.682 1.00 0.00 H new ATOM 1468 N TYR A1008 -5.019 28.229 -2.270 1.00 0.00 N ATOM 1469 CA TYR A1008 -5.034 28.886 -0.974 1.00 0.00 C ATOM 1470 C TYR A1008 -3.724 29.636 -0.725 1.00 0.00 C ATOM 1471 O TYR A1008 -3.649 30.483 0.164 1.00 0.00 O ATOM 1472 CB TYR A1008 -5.175 27.770 0.063 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.624 27.436 0.424 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.505 27.036 -0.560 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -7.049 27.534 1.733 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.869 26.721 -0.220 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.412 27.219 2.073 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.255 26.828 1.080 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.543 26.530 1.401 1.00 0.00 O ATOM 0 H TYR A1008 -4.375 27.441 -2.341 1.00 0.00 H new ATOM 0 HA TYR A1008 -5.846 29.611 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.690 26.871 -0.317 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.643 28.060 0.969 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -7.172 26.959 -1.585 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.359 27.847 2.503 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -9.569 26.407 -0.980 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -8.757 27.292 3.094 1.00 0.00 H new ATOM 0 HH TYR A1008 -10.886 25.852 0.782 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.724 29.297 -1.525 1.00 0.00 N ATOM 1490 CA VAL A1009 -1.421 29.927 -1.402 1.00 0.00 C ATOM 1491 C VAL A1009 -1.530 31.398 -1.810 1.00 0.00 C ATOM 1492 O VAL A1009 -0.753 32.233 -1.350 1.00 0.00 O ATOM 1493 CB VAL A1009 -0.386 29.154 -2.222 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.916 28.845 -3.623 1.00 0.00 C ATOM 1495 CG2 VAL A1009 0.939 29.917 -2.293 1.00 0.00 C ATOM 0 H VAL A1009 -2.790 28.594 -2.261 1.00 0.00 H new ATOM 0 HA VAL A1009 -1.080 29.901 -0.367 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.200 28.206 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -0.161 28.295 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.821 28.242 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -1.145 29.777 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A1009 1.657 29.346 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A1009 0.776 30.887 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.330 30.062 -1.286 1.00 0.00 H new ATOM 1505 N MET A1010 -2.500 31.670 -2.670 1.00 0.00 N ATOM 1506 CA MET A1010 -2.721 33.025 -3.146 1.00 0.00 C ATOM 1507 C MET A1010 -2.389 34.048 -2.059 1.00 0.00 C ATOM 1508 O MET A1010 -1.730 35.052 -2.326 1.00 0.00 O ATOM 1509 CB MET A1010 -4.182 33.185 -3.570 1.00 0.00 C ATOM 1510 CG MET A1010 -5.085 32.219 -2.802 1.00 0.00 C ATOM 1511 SD MET A1010 -6.668 32.982 -2.488 1.00 0.00 S ATOM 1512 CE MET A1010 -6.610 33.095 -0.707 1.00 0.00 C ATOM 0 H MET A1010 -3.142 30.975 -3.050 1.00 0.00 H new ATOM 0 HA MET A1010 -2.065 33.203 -3.998 1.00 0.00 H new ATOM 0 HB2 MET A1010 -4.506 34.210 -3.392 1.00 0.00 H new ATOM 0 HB3 MET A1010 -4.276 33.003 -4.641 1.00 0.00 H new ATOM 0 HG2 MET A1010 -5.221 31.302 -3.375 1.00 0.00 H new ATOM 0 HG3 MET A1010 -4.614 31.939 -1.860 1.00 0.00 H new ATOM 0 HE1 MET A1010 -7.625 33.119 -0.311 1.00 0.00 H new ATOM 0 HE2 MET A1010 -6.084 32.229 -0.304 1.00 0.00 H new ATOM 0 HE3 MET A1010 -6.086 34.006 -0.417 1.00 0.00 H new ATOM 1522 N THR A1011 -2.861 33.759 -0.855 1.00 0.00 N ATOM 1523 CA THR A1011 -2.622 34.642 0.274 1.00 0.00 C ATOM 1524 C THR A1011 -1.439 34.139 1.104 1.00 0.00 C ATOM 1525 O THR A1011 -0.467 34.865 1.309 1.00 0.00 O ATOM 1526 CB THR A1011 -3.923 34.750 1.073 1.00 0.00 C ATOM 1527 OG1 THR A1011 -3.601 35.636 2.142 1.00 0.00 O ATOM 1528 CG2 THR A1011 -4.290 33.440 1.773 1.00 0.00 C ATOM 0 H THR A1011 -3.408 32.926 -0.637 1.00 0.00 H new ATOM 0 HA THR A1011 -2.343 35.642 -0.058 1.00 0.00 H new ATOM 0 HB THR A1011 -4.734 35.046 0.408 1.00 0.00 H new ATOM 0 HG1 THR A1011 -4.389 35.764 2.710 1.00 0.00 H new ATOM 0 HG21 THR A1011 -5.220 33.571 2.325 1.00 0.00 H new ATOM 0 HG22 THR A1011 -4.417 32.653 1.029 1.00 0.00 H new ATOM 0 HG23 THR A1011 -3.494 33.161 2.464 1.00 0.00 H new ATOM 1536 N SER A1012 -1.560 32.901 1.559 1.00 0.00 N ATOM 1537 CA SER A1012 -0.513 32.293 2.362 1.00 0.00 C ATOM 1538 C SER A1012 -1.114 31.238 3.293 1.00 0.00 C ATOM 1539 O SER A1012 -0.680 31.094 4.435 1.00 0.00 O ATOM 1540 CB SER A1012 0.243 33.348 3.172 1.00 0.00 C ATOM 1541 OG SER A1012 0.908 32.781 4.298 1.00 0.00 O ATOM 0 H SER A1012 -2.367 32.302 1.387 1.00 0.00 H new ATOM 0 HA SER A1012 0.198 31.812 1.690 1.00 0.00 H new ATOM 0 HB2 SER A1012 0.973 33.843 2.531 1.00 0.00 H new ATOM 0 HB3 SER A1012 -0.455 34.114 3.511 1.00 0.00 H new ATOM 0 HG SER A1012 0.273 32.244 4.817 1.00 0.00 H new ATOM 1547 N LEU A1013 -2.103 30.528 2.771 1.00 0.00 N ATOM 1548 CA LEU A1013 -2.767 29.491 3.542 1.00 0.00 C ATOM 1549 C LEU A1013 -1.956 28.197 3.454 1.00 0.00 C ATOM 1550 O LEU A1013 -2.108 27.306 4.289 1.00 0.00 O ATOM 1551 CB LEU A1013 -4.221 29.337 3.092 1.00 0.00 C ATOM 1552 CG LEU A1013 -5.282 29.874 4.054 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -5.432 28.959 5.271 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -4.976 31.318 4.457 1.00 0.00 C ATOM 0 H LEU A1013 -2.461 30.650 1.824 1.00 0.00 H new ATOM 0 HA LEU A1013 -2.811 29.769 4.595 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.339 29.842 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.417 28.279 2.921 1.00 0.00 H new ATOM 0 HG LEU A1013 -6.241 29.881 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -6.192 29.364 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -5.730 27.963 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -4.481 28.897 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -5.746 31.676 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -4.005 31.360 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -4.960 31.948 3.568 1.00 0.00 H new ATOM 1566 N GLN A1014 -1.112 28.133 2.435 1.00 0.00 N ATOM 1567 CA GLN A1014 -0.276 26.963 2.227 1.00 0.00 C ATOM 1568 C GLN A1014 0.188 26.397 3.570 1.00 0.00 C ATOM 1569 O GLN A1014 -0.218 25.303 3.961 1.00 0.00 O ATOM 1570 CB GLN A1014 0.918 27.294 1.329 1.00 0.00 C ATOM 1571 CG GLN A1014 1.283 26.103 0.441 1.00 0.00 C ATOM 1572 CD GLN A1014 2.761 26.144 0.049 1.00 0.00 C ATOM 1573 OE1 GLN A1014 3.622 26.548 0.814 1.00 0.00 O ATOM 1574 NE2 GLN A1014 3.007 25.705 -1.182 1.00 0.00 N ATOM 0 H GLN A1014 -0.989 28.873 1.744 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.869 26.202 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A1014 0.681 28.157 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.775 27.570 1.944 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.068 25.173 0.968 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.665 26.111 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A1014 2.240 25.381 -1.771 1.00 0.00 H new ATOM 0 HE22 GLN A1014 3.963 25.693 -1.538 1.00 0.00 H new ATOM 1583 N GLN A1015 1.033 27.167 4.240 1.00 0.00 N ATOM 1584 CA GLN A1015 1.557 26.755 5.532 1.00 0.00 C ATOM 1585 C GLN A1015 0.505 25.953 6.300 1.00 0.00 C ATOM 1586 O GLN A1015 0.837 24.996 6.998 1.00 0.00 O ATOM 1587 CB GLN A1015 2.025 27.965 6.344 1.00 0.00 C ATOM 1588 CG GLN A1015 0.879 28.953 6.565 1.00 0.00 C ATOM 1589 CD GLN A1015 0.276 28.790 7.962 1.00 0.00 C ATOM 1590 OE1 GLN A1015 0.761 28.038 8.791 1.00 0.00 O ATOM 1591 NE2 GLN A1015 -0.805 29.534 8.175 1.00 0.00 N ATOM 0 H GLN A1015 1.368 28.073 3.913 1.00 0.00 H new ATOM 0 HA GLN A1015 2.423 26.114 5.364 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.414 27.633 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A1015 2.843 28.462 5.823 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.244 29.972 6.439 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.108 28.795 5.811 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -1.159 30.143 7.437 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -1.281 29.496 9.076 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.742 26.372 6.146 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.844 25.704 6.816 1.00 0.00 C ATOM 1602 C GLU A1016 -2.128 24.354 6.155 1.00 0.00 C ATOM 1603 O GLU A1016 -1.898 23.305 6.754 1.00 0.00 O ATOM 1604 CB GLU A1016 -3.096 26.584 6.825 1.00 0.00 C ATOM 1605 CG GLU A1016 -4.011 26.225 7.997 1.00 0.00 C ATOM 1606 CD GLU A1016 -5.170 27.218 8.111 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -4.941 28.291 8.709 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -6.259 26.880 7.598 1.00 0.00 O ATOM 0 H GLU A1016 -1.014 27.166 5.567 1.00 0.00 H new ATOM 0 HA GLU A1016 -1.558 25.526 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -2.807 27.633 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -3.637 26.462 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -4.403 25.217 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.437 26.222 8.924 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.624 24.424 4.928 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.942 23.221 4.179 1.00 0.00 C ATOM 1617 C TYR A1017 -1.699 22.348 3.990 1.00 0.00 C ATOM 1618 O TYR A1017 -1.806 21.183 3.610 1.00 0.00 O ATOM 1619 CB TYR A1017 -3.431 23.694 2.809 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.935 23.968 2.746 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.488 24.964 3.526 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.739 23.221 1.909 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.903 25.222 3.467 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -7.154 23.480 1.850 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.666 24.468 2.632 1.00 0.00 C ATOM 1626 OH TYR A1017 -9.003 24.712 2.576 1.00 0.00 O ATOM 0 H TYR A1017 -2.813 25.296 4.434 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.688 22.626 4.707 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.895 24.603 2.537 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -3.178 22.940 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.859 25.549 4.180 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -5.307 22.442 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -7.348 25.997 4.073 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.794 22.903 1.200 1.00 0.00 H new ATOM 0 HH TYR A1017 -9.159 25.584 2.156 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.549 22.946 4.265 1.00 0.00 N ATOM 1637 CA LYS A1018 0.713 22.238 4.130 1.00 0.00 C ATOM 1638 C LYS A1018 0.816 21.176 5.227 1.00 0.00 C ATOM 1639 O LYS A1018 0.990 19.993 4.936 1.00 0.00 O ATOM 1640 CB LYS A1018 1.882 23.224 4.117 1.00 0.00 C ATOM 1641 CG LYS A1018 3.177 22.546 4.570 1.00 0.00 C ATOM 1642 CD LYS A1018 3.627 21.492 3.556 1.00 0.00 C ATOM 1643 CE LYS A1018 3.850 20.139 4.235 1.00 0.00 C ATOM 1644 NZ LYS A1018 5.289 19.931 4.514 1.00 0.00 N ATOM 0 H LYS A1018 -0.465 23.912 4.581 1.00 0.00 H new ATOM 0 HA LYS A1018 0.757 21.716 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.011 23.628 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A1018 1.660 24.066 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A1018 3.960 23.294 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A1018 3.026 22.079 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A1018 2.875 21.391 2.773 1.00 0.00 H new ATOM 0 HD3 LYS A1018 4.548 21.817 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A1018 3.283 20.094 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A1018 3.478 19.339 3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 5.396 19.351 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 5.732 19.445 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 5.751 20.851 4.659 1.00 0.00 H new ATOM 1658 N LYS A1019 0.705 21.636 6.464 1.00 0.00 N ATOM 1659 CA LYS A1019 0.784 20.740 7.606 1.00 0.00 C ATOM 1660 C LYS A1019 -0.285 19.654 7.471 1.00 0.00 C ATOM 1661 O LYS A1019 -0.073 18.515 7.885 1.00 0.00 O ATOM 1662 CB LYS A1019 0.697 21.530 8.913 1.00 0.00 C ATOM 1663 CG LYS A1019 1.882 22.488 9.055 1.00 0.00 C ATOM 1664 CD LYS A1019 3.208 21.725 9.047 1.00 0.00 C ATOM 1665 CE LYS A1019 3.998 22.012 7.768 1.00 0.00 C ATOM 1666 NZ LYS A1019 5.424 22.253 8.083 1.00 0.00 N ATOM 0 H LYS A1019 0.561 22.618 6.701 1.00 0.00 H new ATOM 0 HA LYS A1019 1.750 20.236 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.236 22.093 8.940 1.00 0.00 H new ATOM 0 HB3 LYS A1019 0.678 20.841 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.869 23.211 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.789 23.052 9.983 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.801 22.010 9.916 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.017 20.655 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.908 21.170 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.579 22.882 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 5.946 22.446 7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.505 23.070 8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.824 21.412 8.546 1.00 0.00 H new ATOM 1680 N GLN A1020 -1.410 20.044 6.890 1.00 0.00 N ATOM 1681 CA GLN A1020 -2.512 19.118 6.696 1.00 0.00 C ATOM 1682 C GLN A1020 -2.097 17.991 5.748 1.00 0.00 C ATOM 1683 O GLN A1020 -2.201 16.815 6.094 1.00 0.00 O ATOM 1684 CB GLN A1020 -3.753 19.844 6.174 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.137 21.005 7.094 1.00 0.00 C ATOM 1686 CD GLN A1020 -4.641 20.490 8.444 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -5.274 19.451 8.544 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -4.327 21.272 9.473 1.00 0.00 N ATOM 0 H GLN A1020 -1.582 20.989 6.547 1.00 0.00 H new ATOM 0 HA GLN A1020 -2.767 18.680 7.661 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.563 20.220 5.169 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -4.585 19.143 6.100 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.274 21.653 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -4.910 21.610 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -3.795 22.128 9.319 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -4.618 21.015 10.416 1.00 0.00 H new ATOM 1697 N MET A1021 -1.637 18.389 4.572 1.00 0.00 N ATOM 1698 CA MET A1021 -1.206 17.427 3.572 1.00 0.00 C ATOM 1699 C MET A1021 -0.364 16.317 4.205 1.00 0.00 C ATOM 1700 O MET A1021 -0.482 15.152 3.828 1.00 0.00 O ATOM 1701 CB MET A1021 -0.384 18.141 2.497 1.00 0.00 C ATOM 1702 CG MET A1021 -1.119 18.144 1.155 1.00 0.00 C ATOM 1703 SD MET A1021 -1.364 16.469 0.590 1.00 0.00 S ATOM 1704 CE MET A1021 0.285 15.822 0.814 1.00 0.00 C ATOM 0 H MET A1021 -1.553 19.365 4.289 1.00 0.00 H new ATOM 0 HA MET A1021 -2.092 16.975 3.125 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.184 19.166 2.808 1.00 0.00 H new ATOM 0 HB3 MET A1021 0.582 17.648 2.385 1.00 0.00 H new ATOM 0 HG2 MET A1021 -2.081 18.646 1.259 1.00 0.00 H new ATOM 0 HG3 MET A1021 -0.545 18.705 0.418 1.00 0.00 H new ATOM 0 HE1 MET A1021 0.430 14.961 0.161 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.015 16.593 0.566 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.418 15.516 1.852 1.00 0.00 H new ATOM 1714 N LEU A1022 0.466 16.718 5.157 1.00 0.00 N ATOM 1715 CA LEU A1022 1.327 15.772 5.846 1.00 0.00 C ATOM 1716 C LEU A1022 0.463 14.778 6.626 1.00 0.00 C ATOM 1717 O LEU A1022 0.678 13.569 6.547 1.00 0.00 O ATOM 1718 CB LEU A1022 2.348 16.511 6.713 1.00 0.00 C ATOM 1719 CG LEU A1022 3.376 15.634 7.432 1.00 0.00 C ATOM 1720 CD1 LEU A1022 2.711 14.791 8.522 1.00 0.00 C ATOM 1721 CD2 LEU A1022 4.155 14.773 6.436 1.00 0.00 C ATOM 0 H LEU A1022 0.560 17.685 5.467 1.00 0.00 H new ATOM 0 HA LEU A1022 1.910 15.195 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A1022 2.883 17.222 6.083 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.808 17.091 7.461 1.00 0.00 H new ATOM 0 HG LEU A1022 4.097 16.287 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A1022 3.463 14.177 9.017 1.00 0.00 H new ATOM 0 HD12 LEU A1022 2.240 15.448 9.253 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.955 14.147 8.073 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.879 14.160 6.973 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.464 14.128 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.679 15.417 5.730 1.00 0.00 H new ATOM 1733 N THR A1023 -0.495 15.324 7.360 1.00 0.00 N ATOM 1734 CA THR A1023 -1.391 14.500 8.153 1.00 0.00 C ATOM 1735 C THR A1023 -1.810 13.257 7.365 1.00 0.00 C ATOM 1736 O THR A1023 -1.748 12.141 7.880 1.00 0.00 O ATOM 1737 CB THR A1023 -2.572 15.369 8.588 1.00 0.00 C ATOM 1738 OG1 THR A1023 -1.983 16.632 8.885 1.00 0.00 O ATOM 1739 CG2 THR A1023 -3.174 14.916 9.920 1.00 0.00 C ATOM 0 H THR A1023 -0.670 16.327 7.422 1.00 0.00 H new ATOM 0 HA THR A1023 -0.895 14.127 9.049 1.00 0.00 H new ATOM 0 HB THR A1023 -3.341 15.347 7.816 1.00 0.00 H new ATOM 0 HG1 THR A1023 -2.645 17.207 9.323 1.00 0.00 H new ATOM 0 HG21 THR A1023 -4.008 15.567 10.182 1.00 0.00 H new ATOM 0 HG22 THR A1023 -3.529 13.889 9.828 1.00 0.00 H new ATOM 0 HG23 THR A1023 -2.414 14.969 10.700 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.225 13.491 6.129 1.00 0.00 N ATOM 1748 CA ALA A1024 -2.654 12.404 5.265 1.00 0.00 C ATOM 1749 C ALA A1024 -1.481 11.450 5.033 1.00 0.00 C ATOM 1750 O ALA A1024 -1.603 10.245 5.251 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.206 12.977 3.959 1.00 0.00 C ATOM 0 H ALA A1024 -2.273 14.417 5.705 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.455 11.834 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -3.528 12.162 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.055 13.625 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -2.429 13.554 3.458 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.370 12.024 4.595 1.00 0.00 N ATOM 1758 CA ALA A1025 0.824 11.240 4.331 1.00 0.00 C ATOM 1759 C ALA A1025 1.050 10.259 5.484 1.00 0.00 C ATOM 1760 O ALA A1025 1.515 9.141 5.270 1.00 0.00 O ATOM 1761 CB ALA A1025 2.015 12.177 4.121 1.00 0.00 C ATOM 0 H ALA A1025 -0.272 13.023 4.416 1.00 0.00 H new ATOM 0 HA ALA A1025 0.705 10.655 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.911 11.588 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.817 12.833 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A1025 2.167 12.779 5.017 1.00 0.00 H new ATOM 1767 N HIS A1026 0.711 10.715 6.681 1.00 0.00 N ATOM 1768 CA HIS A1026 0.871 9.892 7.867 1.00 0.00 C ATOM 1769 C HIS A1026 -0.038 8.665 7.768 1.00 0.00 C ATOM 1770 O HIS A1026 0.432 7.532 7.858 1.00 0.00 O ATOM 1771 CB HIS A1026 0.622 10.712 9.135 1.00 0.00 C ATOM 1772 CG HIS A1026 1.398 10.233 10.338 1.00 0.00 C ATOM 1773 ND1 HIS A1026 1.790 11.078 11.363 1.00 0.00 N ATOM 1774 CD2 HIS A1026 1.849 8.990 10.671 1.00 0.00 C ATOM 1775 CE1 HIS A1026 2.447 10.364 12.265 1.00 0.00 C ATOM 1776 NE2 HIS A1026 2.484 9.071 11.834 1.00 0.00 N ATOM 0 H HIS A1026 0.326 11.644 6.855 1.00 0.00 H new ATOM 0 HA HIS A1026 1.899 9.535 7.930 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.881 11.753 8.939 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.442 10.687 9.368 1.00 0.00 H new ATOM 0 HD2 HIS A1026 1.713 8.092 10.087 1.00 0.00 H new ATOM 0 HE1 HIS A1026 2.878 10.740 13.181 1.00 0.00 H new ATOM 0 HE2 HIS A1026 2.927 8.294 12.324 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.322 8.933 7.583 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.301 7.865 7.470 1.00 0.00 C ATOM 1786 C ALA A1027 -2.016 7.049 6.207 1.00 0.00 C ATOM 1787 O ALA A1027 -2.188 5.831 6.198 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.710 8.461 7.474 1.00 0.00 C ATOM 0 H ALA A1027 -1.707 9.874 7.508 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.231 7.189 8.322 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.444 7.660 7.389 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.872 9.005 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -3.819 9.143 6.631 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.585 7.754 5.171 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.275 7.111 3.906 1.00 0.00 C ATOM 1796 C LEU A1028 -0.200 6.045 4.130 1.00 0.00 C ATOM 1797 O LEU A1028 -0.457 4.854 3.963 1.00 0.00 O ATOM 1798 CB LEU A1028 -0.896 8.154 2.853 1.00 0.00 C ATOM 1799 CG LEU A1028 -2.061 8.823 2.122 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -1.565 9.624 0.916 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -3.124 7.796 1.728 1.00 0.00 C ATOM 0 H LEU A1028 -1.443 8.764 5.182 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.154 6.600 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -0.303 8.930 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -0.254 7.677 2.112 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.532 9.529 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -2.414 10.089 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -0.874 10.397 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -1.054 8.957 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -3.941 8.298 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -2.682 7.049 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.508 7.308 2.624 1.00 0.00 H new ATOM 1813 N ALA A1029 0.982 6.512 4.506 1.00 0.00 N ATOM 1814 CA ALA A1029 2.096 5.614 4.755 1.00 0.00 C ATOM 1815 C ALA A1029 1.583 4.350 5.447 1.00 0.00 C ATOM 1816 O ALA A1029 2.020 3.245 5.133 1.00 0.00 O ATOM 1817 CB ALA A1029 3.161 6.339 5.580 1.00 0.00 C ATOM 0 H ALA A1029 1.192 7.501 4.644 1.00 0.00 H new ATOM 0 HA ALA A1029 2.561 5.310 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.997 5.665 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.514 7.212 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.731 6.657 6.530 1.00 0.00 H new ATOM 1823 N VAL A1030 0.661 4.556 6.377 1.00 0.00 N ATOM 1824 CA VAL A1030 0.083 3.447 7.116 1.00 0.00 C ATOM 1825 C VAL A1030 -0.889 2.688 6.211 1.00 0.00 C ATOM 1826 O VAL A1030 -0.764 1.476 6.039 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.572 3.959 8.401 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.638 2.981 8.900 1.00 0.00 C ATOM 1829 CG2 VAL A1030 0.476 4.227 9.482 1.00 0.00 C ATOM 0 H VAL A1030 0.300 5.475 6.635 1.00 0.00 H new ATOM 0 HA VAL A1030 0.859 2.745 7.420 1.00 0.00 H new ATOM 0 HB VAL A1030 -1.065 4.904 8.172 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -2.088 3.368 9.814 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -2.409 2.863 8.138 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -1.178 2.014 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A1030 -0.016 4.590 10.384 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.011 3.304 9.707 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.181 4.978 9.127 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.835 3.431 5.657 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.828 2.843 4.774 1.00 0.00 C ATOM 1841 C ASP A1031 -2.144 1.842 3.840 1.00 0.00 C ATOM 1842 O ASP A1031 -2.523 0.672 3.794 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.499 3.912 3.910 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.303 4.959 4.684 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -4.508 4.733 5.896 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -4.693 5.961 4.047 1.00 0.00 O ATOM 0 H ASP A1031 -1.935 4.436 5.802 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.581 2.354 5.392 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -2.731 4.422 3.329 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -4.162 3.419 3.199 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.149 2.337 3.120 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.409 1.501 2.190 1.00 0.00 C ATOM 1853 C ALA A1032 0.178 0.305 2.943 1.00 0.00 C ATOM 1854 O ALA A1032 0.232 -0.802 2.411 1.00 0.00 O ATOM 1855 CB ALA A1032 0.667 2.337 1.495 1.00 0.00 C ATOM 0 H ALA A1032 -0.837 3.307 3.162 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.070 1.112 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A1032 1.222 1.709 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.196 3.156 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A1032 1.351 2.743 2.241 1.00 0.00 H new ATOM 1861 N LYS A1033 0.604 0.570 4.170 1.00 0.00 N ATOM 1862 CA LYS A1033 1.185 -0.470 5.001 1.00 0.00 C ATOM 1863 C LYS A1033 0.106 -1.494 5.359 1.00 0.00 C ATOM 1864 O LYS A1033 0.232 -2.673 5.034 1.00 0.00 O ATOM 1865 CB LYS A1033 1.879 0.143 6.219 1.00 0.00 C ATOM 1866 CG LYS A1033 2.882 -0.838 6.830 1.00 0.00 C ATOM 1867 CD LYS A1033 2.192 -1.790 7.809 1.00 0.00 C ATOM 1868 CE LYS A1033 3.165 -2.267 8.888 1.00 0.00 C ATOM 1869 NZ LYS A1033 2.992 -1.477 10.128 1.00 0.00 N ATOM 0 H LYS A1033 0.558 1.490 4.608 1.00 0.00 H new ATOM 0 HA LYS A1033 1.963 -1.004 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A1033 2.393 1.059 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A1033 1.134 0.419 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A1033 3.364 -1.412 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.667 -0.286 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A1033 1.345 -1.287 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A1033 1.794 -2.648 7.268 1.00 0.00 H new ATOM 0 HE2 LYS A1033 2.997 -3.324 9.096 1.00 0.00 H new ATOM 0 HE3 LYS A1033 4.190 -2.172 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 3.660 -1.814 10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 3.175 -0.473 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 2.019 -1.589 10.478 1.00 0.00 H new ATOM 1883 N ASN A1034 -0.931 -1.005 6.023 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.032 -1.862 6.429 1.00 0.00 C ATOM 1885 C ASN A1034 -2.394 -2.800 5.275 1.00 0.00 C ATOM 1886 O ASN A1034 -2.807 -3.936 5.501 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.273 -1.038 6.776 1.00 0.00 C ATOM 1888 CG ASN A1034 -4.129 -1.751 7.825 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -3.783 -2.803 8.335 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -5.263 -1.120 8.117 1.00 0.00 N ATOM 0 H ASN A1034 -1.032 -0.026 6.290 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.716 -2.424 7.308 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -2.971 -0.060 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -3.863 -0.866 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -5.904 -1.515 8.806 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -5.492 -0.241 7.652 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.226 -2.289 4.065 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.530 -3.067 2.875 1.00 0.00 C ATOM 1899 C LEU A1035 -1.670 -4.332 2.865 1.00 0.00 C ATOM 1900 O LEU A1035 -2.185 -5.437 3.031 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.374 -2.207 1.619 1.00 0.00 C ATOM 1902 CG LEU A1035 -2.998 -2.769 0.340 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -3.427 -1.642 -0.601 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.052 -3.758 -0.344 1.00 0.00 C ATOM 0 H LEU A1035 -1.883 -1.346 3.882 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.571 -3.389 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -2.814 -1.229 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.310 -2.048 1.441 1.00 0.00 H new ATOM 0 HG LEU A1035 -3.897 -3.321 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -3.867 -2.068 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -4.162 -1.011 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -2.558 -1.042 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -2.520 -4.142 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.122 -3.252 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -1.839 -4.585 0.333 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.376 -4.129 2.669 1.00 0.00 N ATOM 1917 CA LEU A1036 0.560 -5.240 2.635 1.00 0.00 C ATOM 1918 C LEU A1036 0.541 -5.958 3.986 1.00 0.00 C ATOM 1919 O LEU A1036 0.593 -7.186 4.042 1.00 0.00 O ATOM 1920 CB LEU A1036 1.949 -4.758 2.215 1.00 0.00 C ATOM 1921 CG LEU A1036 2.696 -5.650 1.221 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.667 -5.047 -0.185 1.00 0.00 C ATOM 1923 CD2 LEU A1036 4.124 -5.925 1.697 1.00 0.00 C ATOM 0 H LEU A1036 0.047 -3.211 2.532 1.00 0.00 H new ATOM 0 HA LEU A1036 0.260 -5.968 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.850 -3.764 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.562 -4.653 3.110 1.00 0.00 H new ATOM 0 HG LEU A1036 2.183 -6.610 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A1036 3.205 -5.700 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.633 -4.944 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A1036 3.142 -4.066 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.633 -6.561 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.663 -4.983 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A1036 4.095 -6.428 2.664 1.00 0.00 H new ATOM 1935 N ASP A1037 0.466 -5.162 5.043 1.00 0.00 N ATOM 1936 CA ASP A1037 0.439 -5.706 6.390 1.00 0.00 C ATOM 1937 C ASP A1037 -0.513 -6.903 6.433 1.00 0.00 C ATOM 1938 O ASP A1037 -0.176 -7.949 6.984 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.061 -4.667 7.394 1.00 0.00 C ATOM 1940 CG ASP A1037 0.583 -4.743 8.780 1.00 0.00 C ATOM 1941 OD1 ASP A1037 1.633 -5.414 8.881 1.00 0.00 O ATOM 1942 OD2 ASP A1037 0.011 -4.129 9.706 1.00 0.00 O ATOM 0 H ASP A1037 0.423 -4.144 4.993 1.00 0.00 H new ATOM 0 HA ASP A1037 1.454 -6.002 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.114 -3.673 6.983 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.139 -4.781 7.505 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.684 -6.708 5.844 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.688 -7.758 5.809 1.00 0.00 C ATOM 1949 C VAL A1038 -2.181 -8.913 4.942 1.00 0.00 C ATOM 1950 O VAL A1038 -2.462 -10.076 5.226 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.023 -7.189 5.325 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -5.091 -8.282 5.255 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -4.481 -6.032 6.216 1.00 0.00 C ATOM 0 H VAL A1038 -1.960 -5.839 5.387 1.00 0.00 H new ATOM 0 HA VAL A1038 -2.862 -8.154 6.809 1.00 0.00 H new ATOM 0 HB VAL A1038 -3.876 -6.799 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -6.030 -7.851 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.771 -9.060 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -5.234 -8.715 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -5.432 -5.646 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -4.603 -6.387 7.239 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -3.734 -5.238 6.194 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.443 -8.551 3.903 1.00 0.00 N ATOM 1964 CA ILE A1039 -0.895 -9.542 2.994 1.00 0.00 C ATOM 1965 C ILE A1039 0.126 -10.404 3.740 1.00 0.00 C ATOM 1966 O ILE A1039 0.055 -11.631 3.701 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.331 -8.867 1.742 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.434 -8.617 0.710 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.828 -9.677 1.157 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -0.892 -7.846 -0.495 1.00 0.00 C ATOM 0 H ILE A1039 -1.212 -7.585 3.671 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.681 -10.211 2.642 1.00 0.00 H new ATOM 0 HB ILE A1039 0.069 -7.894 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.851 -9.569 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.247 -8.055 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.210 -9.175 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.624 -9.760 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.477 -10.673 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.695 -7.682 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.498 -6.885 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.096 -8.422 -0.967 1.00 0.00 H new ATOM 1982 N ASP A1040 1.053 -9.726 4.402 1.00 0.00 N ATOM 1983 CA ASP A1040 2.087 -10.414 5.156 1.00 0.00 C ATOM 1984 C ASP A1040 1.448 -11.517 6.002 1.00 0.00 C ATOM 1985 O ASP A1040 1.934 -12.646 6.026 1.00 0.00 O ATOM 1986 CB ASP A1040 2.811 -9.453 6.101 1.00 0.00 C ATOM 1987 CG ASP A1040 4.254 -9.838 6.434 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.496 -11.055 6.588 1.00 0.00 O ATOM 1989 OD2 ASP A1040 5.083 -8.907 6.527 1.00 0.00 O ATOM 0 H ASP A1040 1.109 -8.708 4.432 1.00 0.00 H new ATOM 0 HA ASP A1040 2.802 -10.829 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A1040 2.810 -8.459 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A1040 2.245 -9.386 7.030 1.00 0.00 H new ATOM 1994 N GLN A1041 0.367 -11.150 6.675 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.344 -12.094 7.520 1.00 0.00 C ATOM 1996 C GLN A1041 -1.027 -13.163 6.665 1.00 0.00 C ATOM 1997 O GLN A1041 -1.265 -14.277 7.129 1.00 0.00 O ATOM 1998 CB GLN A1041 -1.358 -11.375 8.412 1.00 0.00 C ATOM 1999 CG GLN A1041 -2.098 -12.368 9.312 1.00 0.00 C ATOM 2000 CD GLN A1041 -2.790 -11.647 10.470 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -2.207 -11.382 11.509 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -4.064 -11.345 10.235 1.00 0.00 N ATOM 0 H GLN A1041 -0.033 -10.212 6.652 1.00 0.00 H new ATOM 0 HA GLN A1041 0.379 -12.585 8.171 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -0.846 -10.634 9.026 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -2.075 -10.836 7.793 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -2.837 -12.915 8.726 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.395 -13.103 9.704 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -4.491 -11.595 9.343 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -4.613 -10.863 10.946 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.323 -12.786 5.429 1.00 0.00 N ATOM 2012 CA ALA A1042 -1.974 -13.698 4.505 1.00 0.00 C ATOM 2013 C ALA A1042 -0.925 -14.621 3.882 1.00 0.00 C ATOM 2014 O ALA A1042 -1.229 -15.756 3.518 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.743 -12.896 3.452 1.00 0.00 C ATOM 0 H ALA A1042 -1.124 -11.862 5.047 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.696 -14.325 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.232 -13.580 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.495 -12.278 3.943 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -2.050 -12.257 2.904 1.00 0.00 H new ATOM 2021 N ARG A1043 0.289 -14.100 3.779 1.00 0.00 N ATOM 2022 CA ARG A1043 1.385 -14.863 3.207 1.00 0.00 C ATOM 2023 C ARG A1043 1.585 -16.167 3.982 1.00 0.00 C ATOM 2024 O ARG A1043 1.390 -17.253 3.437 1.00 0.00 O ATOM 2025 CB ARG A1043 2.687 -14.060 3.230 1.00 0.00 C ATOM 2026 CG ARG A1043 3.846 -14.876 2.654 1.00 0.00 C ATOM 2027 CD ARG A1043 5.181 -14.433 3.256 1.00 0.00 C ATOM 2028 NE ARG A1043 5.803 -15.558 3.990 1.00 0.00 N ATOM 2029 CZ ARG A1043 6.952 -15.465 4.673 1.00 0.00 C ATOM 2030 NH1 ARG A1043 7.610 -14.299 4.721 1.00 0.00 N ATOM 2031 NH2 ARG A1043 7.442 -16.538 5.309 1.00 0.00 N ATOM 0 H ARG A1043 0.538 -13.158 4.082 1.00 0.00 H new ATOM 0 HA ARG A1043 1.128 -15.087 2.172 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.563 -13.143 2.655 1.00 0.00 H new ATOM 0 HB3 ARG A1043 2.919 -13.765 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A1043 3.686 -15.935 2.856 1.00 0.00 H new ATOM 0 HG3 ARG A1043 3.875 -14.759 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A1043 5.849 -14.089 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A1043 5.024 -13.591 3.930 1.00 0.00 H new ATOM 0 HE ARG A1043 5.327 -16.460 3.975 1.00 0.00 H new ATOM 0 HH11 ARG A1043 7.236 -13.482 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A1043 8.485 -14.228 5.241 1.00 0.00 H new ATOM 0 HH21 ARG A1043 6.940 -17.425 5.273 1.00 0.00 H new ATOM 0 HH22 ARG A1043 8.317 -16.467 5.829 1.00 0.00 H new ATOM 2045 N LEU A1044 1.971 -16.018 5.240 1.00 0.00 N ATOM 2046 CA LEU A1044 2.200 -17.170 6.095 1.00 0.00 C ATOM 2047 C LEU A1044 0.904 -17.974 6.217 1.00 0.00 C ATOM 2048 O LEU A1044 0.937 -19.179 6.462 1.00 0.00 O ATOM 2049 CB LEU A1044 2.780 -16.732 7.441 1.00 0.00 C ATOM 2050 CG LEU A1044 1.790 -16.110 8.428 1.00 0.00 C ATOM 2051 CD1 LEU A1044 1.165 -14.839 7.850 1.00 0.00 C ATOM 2052 CD2 LEU A1044 0.730 -17.127 8.856 1.00 0.00 C ATOM 0 H LEU A1044 2.131 -15.116 5.688 1.00 0.00 H new ATOM 0 HA LEU A1044 2.946 -17.830 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A1044 3.239 -17.599 7.916 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.577 -16.012 7.254 1.00 0.00 H new ATOM 0 HG LEU A1044 2.338 -15.820 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A1044 0.465 -14.417 8.571 1.00 0.00 H new ATOM 0 HD12 LEU A1044 1.949 -14.112 7.637 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.635 -15.081 6.929 1.00 0.00 H new ATOM 0 HD21 LEU A1044 0.039 -16.659 9.557 1.00 0.00 H new ATOM 0 HD22 LEU A1044 0.180 -17.470 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A1044 1.214 -17.977 9.336 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.208 -17.275 6.040 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.512 -17.909 6.127 1.00 0.00 C ATOM 2066 C LYS A1045 -1.545 -19.128 5.203 1.00 0.00 C ATOM 2067 O LYS A1045 -2.292 -20.075 5.445 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.621 -16.893 5.844 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.935 -17.319 6.502 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.506 -16.191 7.365 1.00 0.00 C ATOM 2071 CE LYS A1045 -5.883 -16.567 7.917 1.00 0.00 C ATOM 2072 NZ LYS A1045 -5.760 -17.124 9.282 1.00 0.00 N ATOM 0 H LYS A1045 -0.232 -16.276 5.837 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.693 -18.271 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.325 -15.912 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -2.764 -16.795 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -4.657 -17.596 5.734 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -3.768 -18.204 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -3.825 -15.979 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -4.584 -15.279 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -6.527 -15.688 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.357 -17.297 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -6.703 -17.374 9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -5.163 -17.975 9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -5.327 -16.415 9.908 1.00 0.00 H new ATOM 2086 N MET A1046 -0.725 -19.066 4.164 1.00 0.00 N ATOM 2087 CA MET A1046 -0.650 -20.153 3.203 1.00 0.00 C ATOM 2088 C MET A1046 0.312 -21.243 3.682 1.00 0.00 C ATOM 2089 O MET A1046 0.222 -22.390 3.247 1.00 0.00 O ATOM 2090 CB MET A1046 -0.176 -19.610 1.854 1.00 0.00 C ATOM 2091 CG MET A1046 -0.109 -20.724 0.807 1.00 0.00 C ATOM 2092 SD MET A1046 1.539 -20.827 0.129 1.00 0.00 S ATOM 2093 CE MET A1046 1.747 -19.147 -0.435 1.00 0.00 C ATOM 0 H MET A1046 -0.106 -18.279 3.967 1.00 0.00 H new ATOM 0 HA MET A1046 -1.643 -20.591 3.100 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.854 -18.827 1.514 1.00 0.00 H new ATOM 0 HB3 MET A1046 0.807 -19.153 1.967 1.00 0.00 H new ATOM 0 HG2 MET A1046 -0.385 -21.676 1.259 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.827 -20.529 0.011 1.00 0.00 H new ATOM 0 HE1 MET A1046 2.381 -19.137 -1.322 1.00 0.00 H new ATOM 0 HE2 MET A1046 0.773 -18.722 -0.679 1.00 0.00 H new ATOM 0 HE3 MET A1046 2.214 -18.554 0.351 1.00 0.00 H new ATOM 2103 N ILE A1047 1.210 -20.845 4.571 1.00 0.00 N ATOM 2104 CA ILE A1047 2.188 -21.774 5.113 1.00 0.00 C ATOM 2105 C ILE A1047 1.459 -22.929 5.804 1.00 0.00 C ATOM 2106 O ILE A1047 1.625 -24.087 5.425 1.00 0.00 O ATOM 2107 CB ILE A1047 3.177 -21.041 6.020 1.00 0.00 C ATOM 2108 CG1 ILE A1047 3.929 -19.955 5.247 1.00 0.00 C ATOM 2109 CG2 ILE A1047 4.131 -22.025 6.700 1.00 0.00 C ATOM 2110 CD1 ILE A1047 5.101 -20.550 4.465 1.00 0.00 C ATOM 0 H ILE A1047 1.281 -19.893 4.930 1.00 0.00 H new ATOM 0 HA ILE A1047 2.787 -22.208 4.312 1.00 0.00 H new ATOM 0 HB ILE A1047 2.613 -20.543 6.808 1.00 0.00 H new ATOM 0 HG12 ILE A1047 3.247 -19.454 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A1047 4.297 -19.199 5.940 1.00 0.00 H new ATOM 0 HG21 ILE A1047 4.824 -21.477 7.339 1.00 0.00 H new ATOM 0 HG22 ILE A1047 3.558 -22.728 7.304 1.00 0.00 H new ATOM 0 HG23 ILE A1047 4.692 -22.571 5.942 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.618 -19.757 3.925 1.00 0.00 H new ATOM 0 HD12 ILE A1047 5.794 -21.029 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A1047 4.728 -21.288 3.755 1.00 0.00 H new