USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=28 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: A 928 ASN : amide:sc= -5.15! C(o=-6.5!,f=-10!) USER MOD Set 1.2: A 968 THR OG1 : rot -24:sc= -1.34 USER MOD Set 2.1: A 939 MET CE :methyl 156:sc= -0.982! (180deg=-2.31!) USER MOD Set 2.2: A1021 MET CE :methyl -116:sc= -0.787 (180deg=-1.84!) USER MOD Single : A 922 ASN :FLIP amide:sc= -0.184 F(o=-0.78,f=-0.18) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot 30:sc= 0 USER MOD Single : A 930 THR OG1 : rot -119:sc= -0.432 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -58:sc= 0.2 USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ -118:sc= -1.44 (180deg=-4.83!) USER MOD Single : A 944 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 951 TYR OH : rot 180:sc= 0 USER MOD Single : A 954 MET CE :methyl -170:sc= -4.48! (180deg=-4.75!) 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 972 SER OG : rot -140:sc= -0.0191 USER MOD Single : A 979 SER OG : rot 180:sc= 0 USER MOD Single : A 980 THR OG1 : rot -95:sc= 0.934 USER MOD Single : A 981 HIS :FLIP no HD1:sc= 0.0388 F(o=-1.1,f=0.039) USER MOD Single : A 986 MET CE :methyl -128:sc= -0.0598 (180deg=-0.99) USER MOD Single : A 988 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.9!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.438 K(o=-0.44,f=-1.8) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 MET CE :methyl -174:sc= -3.11 (180deg=-3.34!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -2.65 K(o=-2.7,f=-4!) USER MOD Single : A1007 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl -109:sc= -4.01 (180deg=-7.86!) USER MOD Single : A1011 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A1012 SER OG : rot 75:sc= 0.331 USER MOD Single : A1014 GLN : amide:sc= -1.61 K(o=-1.6,f=-7.3!) USER MOD Single : A1015 GLN : amide:sc= -0.437 K(o=-0.44,f=-2.9!) USER MOD Single : A1017 TYR OH : rot 99:sc= -0.992! USER MOD Single : A1018 LYS NZ :NH3+ 160:sc= 0.0949 (180deg=-0.549) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -0.727 K(o=-0.73,f=-3.2!) USER MOD Single : A1023 THR OG1 : rot 94:sc= 0.472 USER MOD Single : A1026 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.32) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.0799 K(o=-0.08,f=-2!) USER MOD Single : A1041 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A1045 LYS NZ :NH3+ 164:sc= -0.193 (180deg=-0.291) USER MOD Single : A1046 MET CE :methyl 164:sc= -0.915 (180deg=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.540 -10.115 -5.969 1.00 0.00 N ATOM 108 CA ASN A 922 5.301 -9.340 -4.763 1.00 0.00 C ATOM 109 C ASN A 922 6.430 -8.324 -4.583 1.00 0.00 C ATOM 110 O ASN A 922 6.360 -7.461 -3.709 1.00 0.00 O ATOM 111 CB ASN A 922 5.273 -10.241 -3.527 1.00 0.00 C ATOM 112 CG ASN A 922 6.613 -10.954 -3.337 1.00 0.00 C ATOM 113 OD1 ASN A 922 7.512 -10.246 -2.660 1.00 0.00 O flip ATOM 114 ND2 ASN A 922 6.817 -12.074 -3.776 1.00 0.00 N flip ATOM 0 HA ASN A 922 4.338 -8.841 -4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 922 5.046 -9.645 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 922 4.476 -10.978 -3.628 1.00 0.00 H new ATOM 0 HD21 ASN A 922 6.082 -12.563 -4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 922 7.722 -12.521 -3.631 1.00 0.00 H new ATOM 121 N ASP A 923 7.446 -8.461 -5.423 1.00 0.00 N ATOM 122 CA ASP A 923 8.589 -7.565 -5.367 1.00 0.00 C ATOM 123 C ASP A 923 8.211 -6.222 -5.995 1.00 0.00 C ATOM 124 O ASP A 923 8.666 -5.172 -5.545 1.00 0.00 O ATOM 125 CB ASP A 923 9.774 -8.136 -6.148 1.00 0.00 C ATOM 126 CG ASP A 923 10.812 -7.104 -6.593 1.00 0.00 C ATOM 127 OD1 ASP A 923 11.541 -6.612 -5.704 1.00 0.00 O ATOM 128 OD2 ASP A 923 10.854 -6.829 -7.812 1.00 0.00 O ATOM 0 H ASP A 923 7.501 -9.179 -6.146 1.00 0.00 H new ATOM 0 HA ASP A 923 8.871 -7.443 -4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 923 10.270 -8.885 -5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 923 9.394 -8.651 -7.030 1.00 0.00 H new ATOM 133 N LYS A 924 7.381 -6.300 -7.025 1.00 0.00 N ATOM 134 CA LYS A 924 6.937 -5.104 -7.720 1.00 0.00 C ATOM 135 C LYS A 924 5.817 -4.440 -6.917 1.00 0.00 C ATOM 136 O LYS A 924 5.810 -3.222 -6.744 1.00 0.00 O ATOM 137 CB LYS A 924 6.546 -5.436 -9.162 1.00 0.00 C ATOM 138 CG LYS A 924 7.322 -4.567 -10.154 1.00 0.00 C ATOM 139 CD LYS A 924 6.493 -3.357 -10.588 1.00 0.00 C ATOM 140 CE LYS A 924 6.481 -3.219 -12.112 1.00 0.00 C ATOM 141 NZ LYS A 924 6.840 -1.839 -12.510 1.00 0.00 N ATOM 0 H LYS A 924 7.004 -7.173 -7.395 1.00 0.00 H new ATOM 0 HA LYS A 924 7.750 -4.382 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 924 6.744 -6.489 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.476 -5.281 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 924 8.252 -4.230 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 924 7.592 -5.160 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 924 5.472 -3.460 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 924 6.903 -2.451 -10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 924 7.184 -3.926 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 924 5.493 -3.470 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 6.827 -1.762 -13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 6.153 -1.171 -12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 7.792 -1.613 -12.158 1.00 0.00 H new ATOM 155 N VAL A 925 4.896 -5.269 -6.448 1.00 0.00 N ATOM 156 CA VAL A 925 3.774 -4.777 -5.667 1.00 0.00 C ATOM 157 C VAL A 925 4.300 -4.049 -4.429 1.00 0.00 C ATOM 158 O VAL A 925 3.884 -2.928 -4.140 1.00 0.00 O ATOM 159 CB VAL A 925 2.828 -5.931 -5.326 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.855 -5.531 -4.214 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.075 -6.409 -6.569 1.00 0.00 C ATOM 0 H VAL A 925 4.904 -6.278 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 925 3.193 -4.058 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 925 3.431 -6.762 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 925 1.194 -6.368 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 925 2.416 -5.263 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 925 1.261 -4.677 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.410 -7.229 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.489 -5.586 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 925 2.789 -6.753 -7.317 1.00 0.00 H new ATOM 171 N TYR A 926 5.207 -4.716 -3.730 1.00 0.00 N ATOM 172 CA TYR A 926 5.794 -4.146 -2.529 1.00 0.00 C ATOM 173 C TYR A 926 6.630 -2.908 -2.862 1.00 0.00 C ATOM 174 O TYR A 926 6.755 -2.000 -2.041 1.00 0.00 O ATOM 175 CB TYR A 926 6.711 -5.227 -1.954 1.00 0.00 C ATOM 176 CG TYR A 926 5.966 -6.389 -1.295 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.607 -6.535 -1.487 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.653 -7.292 -0.508 1.00 0.00 C ATOM 179 CE1 TYR A 926 3.906 -7.629 -0.866 1.00 0.00 C ATOM 180 CE2 TYR A 926 5.951 -8.386 0.112 1.00 0.00 C ATOM 181 CZ TYR A 926 4.612 -8.500 -0.098 1.00 0.00 C ATOM 182 OH TYR A 926 3.950 -9.534 0.488 1.00 0.00 O ATOM 0 H TYR A 926 5.550 -5.646 -3.972 1.00 0.00 H new ATOM 0 HA TYR A 926 5.016 -3.842 -1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.340 -5.619 -2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.376 -4.772 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.070 -5.829 -2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.716 -7.178 -0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 926 2.843 -7.754 -1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.476 -9.100 0.730 1.00 0.00 H new ATOM 0 HH TYR A 926 3.186 -9.791 -0.069 1.00 0.00 H new ATOM 192 N GLU A 927 7.181 -2.912 -4.067 1.00 0.00 N ATOM 193 CA GLU A 927 8.001 -1.801 -4.518 1.00 0.00 C ATOM 194 C GLU A 927 7.135 -0.562 -4.754 1.00 0.00 C ATOM 195 O GLU A 927 7.427 0.512 -4.232 1.00 0.00 O ATOM 196 CB GLU A 927 8.781 -2.173 -5.781 1.00 0.00 C ATOM 197 CG GLU A 927 10.037 -2.975 -5.434 1.00 0.00 C ATOM 198 CD GLU A 927 11.256 -2.059 -5.313 1.00 0.00 C ATOM 199 OE1 GLU A 927 11.240 -1.210 -4.395 1.00 0.00 O ATOM 200 OE2 GLU A 927 12.177 -2.228 -6.141 1.00 0.00 O ATOM 0 H GLU A 927 7.076 -3.667 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 927 8.726 -1.570 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 927 8.145 -2.757 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 927 9.061 -1.268 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.884 -3.509 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.217 -3.726 -6.203 1.00 0.00 H new ATOM 207 N ASN A 928 6.085 -0.754 -5.540 1.00 0.00 N ATOM 208 CA ASN A 928 5.174 0.334 -5.851 1.00 0.00 C ATOM 209 C ASN A 928 4.641 0.934 -4.549 1.00 0.00 C ATOM 210 O ASN A 928 4.682 2.149 -4.358 1.00 0.00 O ATOM 211 CB ASN A 928 3.979 -0.164 -6.666 1.00 0.00 C ATOM 212 CG ASN A 928 4.437 -1.069 -7.812 1.00 0.00 C ATOM 213 OD1 ASN A 928 4.003 -2.200 -7.955 1.00 0.00 O ATOM 214 ND2 ASN A 928 5.334 -0.509 -8.618 1.00 0.00 N ATOM 0 H ASN A 928 5.845 -1.647 -5.971 1.00 0.00 H new ATOM 0 HA ASN A 928 5.721 1.077 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.294 -0.710 -6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.428 0.686 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 928 5.701 -1.031 -9.414 1.00 0.00 H new ATOM 0 HD22 ASN A 928 5.655 0.443 -8.441 1.00 0.00 H new ATOM 221 N VAL A 929 4.151 0.056 -3.686 1.00 0.00 N ATOM 222 CA VAL A 929 3.610 0.484 -2.407 1.00 0.00 C ATOM 223 C VAL A 929 4.623 1.392 -1.708 1.00 0.00 C ATOM 224 O VAL A 929 4.302 2.524 -1.347 1.00 0.00 O ATOM 225 CB VAL A 929 3.221 -0.736 -1.569 1.00 0.00 C ATOM 226 CG1 VAL A 929 2.707 -0.312 -0.192 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.189 -1.597 -2.299 1.00 0.00 C ATOM 0 H VAL A 929 4.117 -0.951 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 929 2.699 1.065 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 929 4.116 -1.341 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.437 -1.197 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.487 0.239 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 929 1.830 0.325 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 929 1.930 -2.457 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.293 -1.006 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.607 -1.942 -3.245 1.00 0.00 H new ATOM 237 N THR A 930 5.825 0.863 -1.537 1.00 0.00 N ATOM 238 CA THR A 930 6.887 1.612 -0.887 1.00 0.00 C ATOM 239 C THR A 930 7.193 2.891 -1.669 1.00 0.00 C ATOM 240 O THR A 930 6.967 3.994 -1.173 1.00 0.00 O ATOM 241 CB THR A 930 8.097 0.687 -0.740 1.00 0.00 C ATOM 242 OG1 THR A 930 8.125 -0.045 -1.963 1.00 0.00 O ATOM 243 CG2 THR A 930 7.887 -0.386 0.331 1.00 0.00 C ATOM 0 H THR A 930 6.087 -0.076 -1.837 1.00 0.00 H new ATOM 0 HA THR A 930 6.587 1.940 0.108 1.00 0.00 H new ATOM 0 HB THR A 930 8.978 1.279 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 930 8.014 -1.000 -1.775 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.775 -1.015 0.395 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.711 0.092 1.295 1.00 0.00 H new ATOM 0 HG23 THR A 930 7.026 -1.000 0.067 1.00 0.00 H new ATOM 251 N GLY A 931 7.701 2.701 -2.878 1.00 0.00 N ATOM 252 CA GLY A 931 8.039 3.827 -3.732 1.00 0.00 C ATOM 253 C GLY A 931 7.034 4.967 -3.561 1.00 0.00 C ATOM 254 O GLY A 931 7.420 6.104 -3.290 1.00 0.00 O ATOM 0 H GLY A 931 7.887 1.785 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 931 9.041 4.182 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 931 8.056 3.506 -4.773 1.00 0.00 H new ATOM 258 N LEU A 932 5.765 4.625 -3.725 1.00 0.00 N ATOM 259 CA LEU A 932 4.702 5.606 -3.591 1.00 0.00 C ATOM 260 C LEU A 932 4.754 6.221 -2.191 1.00 0.00 C ATOM 261 O LEU A 932 4.777 7.442 -2.046 1.00 0.00 O ATOM 262 CB LEU A 932 3.349 4.981 -3.938 1.00 0.00 C ATOM 263 CG LEU A 932 2.395 4.752 -2.764 1.00 0.00 C ATOM 264 CD1 LEU A 932 1.982 6.080 -2.126 1.00 0.00 C ATOM 265 CD2 LEU A 932 1.184 3.922 -3.195 1.00 0.00 C ATOM 0 H LEU A 932 5.449 3.682 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 932 4.843 6.420 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.851 5.622 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.528 4.023 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 932 2.923 4.179 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 932 1.304 5.889 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.868 6.599 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 932 1.479 6.700 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.522 3.774 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.646 4.446 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.520 2.954 -3.566 1.00 0.00 H new ATOM 277 N VAL A 933 4.771 5.347 -1.196 1.00 0.00 N ATOM 278 CA VAL A 933 4.820 5.789 0.187 1.00 0.00 C ATOM 279 C VAL A 933 6.052 6.673 0.393 1.00 0.00 C ATOM 280 O VAL A 933 5.933 7.819 0.822 1.00 0.00 O ATOM 281 CB VAL A 933 4.789 4.579 1.124 1.00 0.00 C ATOM 282 CG1 VAL A 933 5.699 4.800 2.335 1.00 0.00 C ATOM 283 CG2 VAL A 933 3.358 4.263 1.564 1.00 0.00 C ATOM 0 H VAL A 933 4.752 4.335 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 933 3.944 6.392 0.426 1.00 0.00 H new ATOM 0 HB VAL A 933 5.168 3.718 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 933 5.659 3.926 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 933 6.724 4.954 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 933 5.363 5.678 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 933 3.364 3.399 2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 933 2.941 5.122 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 933 2.748 4.042 0.688 1.00 0.00 H new ATOM 293 N LYS A 934 7.207 6.106 0.076 1.00 0.00 N ATOM 294 CA LYS A 934 8.459 6.828 0.220 1.00 0.00 C ATOM 295 C LYS A 934 8.261 8.278 -0.227 1.00 0.00 C ATOM 296 O LYS A 934 8.825 9.197 0.365 1.00 0.00 O ATOM 297 CB LYS A 934 9.584 6.104 -0.522 1.00 0.00 C ATOM 298 CG LYS A 934 9.645 4.629 -0.119 1.00 0.00 C ATOM 299 CD LYS A 934 11.030 4.265 0.420 1.00 0.00 C ATOM 300 CE LYS A 934 10.922 3.289 1.593 1.00 0.00 C ATOM 301 NZ LYS A 934 11.782 2.107 1.365 1.00 0.00 N ATOM 0 H LYS A 934 7.302 5.155 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 934 8.765 6.855 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 934 9.426 6.185 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.537 6.585 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.890 4.424 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.410 4.003 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.628 3.819 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.549 5.169 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 934 11.216 3.787 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 934 9.886 2.974 1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 11.697 1.455 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 11.483 1.623 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 12.772 2.411 1.269 1.00 0.00 H new ATOM 315 N ALA A 935 7.458 8.438 -1.269 1.00 0.00 N ATOM 316 CA ALA A 935 7.179 9.760 -1.803 1.00 0.00 C ATOM 317 C ALA A 935 6.199 10.483 -0.876 1.00 0.00 C ATOM 318 O ALA A 935 6.438 11.624 -0.483 1.00 0.00 O ATOM 319 CB ALA A 935 6.644 9.632 -3.231 1.00 0.00 C ATOM 0 H ALA A 935 6.992 7.674 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 935 8.091 10.356 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.435 10.624 -3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.388 9.138 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.727 9.043 -3.225 1.00 0.00 H new ATOM 325 N VAL A 936 5.118 9.789 -0.554 1.00 0.00 N ATOM 326 CA VAL A 936 4.101 10.350 0.319 1.00 0.00 C ATOM 327 C VAL A 936 4.770 11.242 1.367 1.00 0.00 C ATOM 328 O VAL A 936 4.274 12.325 1.673 1.00 0.00 O ATOM 329 CB VAL A 936 3.263 9.228 0.936 1.00 0.00 C ATOM 330 CG1 VAL A 936 3.691 8.955 2.379 1.00 0.00 C ATOM 331 CG2 VAL A 936 1.770 9.553 0.858 1.00 0.00 C ATOM 0 H VAL A 936 4.924 8.843 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 936 3.413 10.976 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 936 3.439 8.321 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 936 3.080 8.154 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 936 4.740 8.659 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 936 3.559 9.858 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.197 8.740 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.570 10.477 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 936 1.478 9.674 -0.185 1.00 0.00 H new ATOM 341 N ILE A 937 5.886 10.753 1.887 1.00 0.00 N ATOM 342 CA ILE A 937 6.629 11.493 2.894 1.00 0.00 C ATOM 343 C ILE A 937 7.560 12.492 2.204 1.00 0.00 C ATOM 344 O ILE A 937 7.369 13.702 2.314 1.00 0.00 O ATOM 345 CB ILE A 937 7.351 10.531 3.840 1.00 0.00 C ATOM 346 CG1 ILE A 937 6.350 9.688 4.633 1.00 0.00 C ATOM 347 CG2 ILE A 937 8.317 11.286 4.756 1.00 0.00 C ATOM 348 CD1 ILE A 937 6.702 8.201 4.552 1.00 0.00 C ATOM 0 H ILE A 937 6.294 9.854 1.630 1.00 0.00 H new ATOM 0 HA ILE A 937 5.950 12.071 3.521 1.00 0.00 H new ATOM 0 HB ILE A 937 7.947 9.843 3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 937 6.344 10.008 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 937 5.344 9.849 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 937 8.817 10.580 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 937 9.060 11.806 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 937 7.762 12.011 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.976 7.623 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 937 6.683 7.879 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 937 7.698 8.040 4.964 1.00 0.00 H new ATOM 360 N GLU A 938 8.547 11.948 1.507 1.00 0.00 N ATOM 361 CA GLU A 938 9.508 12.776 0.800 1.00 0.00 C ATOM 362 C GLU A 938 8.826 14.034 0.256 1.00 0.00 C ATOM 363 O GLU A 938 9.279 15.149 0.511 1.00 0.00 O ATOM 364 CB GLU A 938 10.186 11.991 -0.325 1.00 0.00 C ATOM 365 CG GLU A 938 11.677 12.323 -0.404 1.00 0.00 C ATOM 366 CD GLU A 938 12.530 11.109 -0.031 1.00 0.00 C ATOM 367 OE1 GLU A 938 12.292 10.041 -0.635 1.00 0.00 O ATOM 368 OE2 GLU A 938 13.400 11.277 0.850 1.00 0.00 O ATOM 0 H GLU A 938 8.701 10.944 1.417 1.00 0.00 H new ATOM 0 HA GLU A 938 10.282 13.081 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 938 10.056 10.922 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.707 12.224 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.927 12.651 -1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.905 13.152 0.267 1.00 0.00 H new ATOM 375 N MET A 939 7.749 13.812 -0.482 1.00 0.00 N ATOM 376 CA MET A 939 7.000 14.914 -1.064 1.00 0.00 C ATOM 377 C MET A 939 6.762 16.019 -0.033 1.00 0.00 C ATOM 378 O MET A 939 7.207 17.150 -0.216 1.00 0.00 O ATOM 379 CB MET A 939 5.656 14.400 -1.582 1.00 0.00 C ATOM 380 CG MET A 939 5.355 14.960 -2.974 1.00 0.00 C ATOM 381 SD MET A 939 3.723 14.457 -3.495 1.00 0.00 S ATOM 382 CE MET A 939 2.794 14.843 -2.021 1.00 0.00 C ATOM 0 H MET A 939 7.376 12.886 -0.691 1.00 0.00 H new ATOM 0 HA MET A 939 7.581 15.330 -1.887 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.669 13.311 -1.619 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.863 14.686 -0.892 1.00 0.00 H new ATOM 0 HG2 MET A 939 5.422 16.048 -2.960 1.00 0.00 H new ATOM 0 HG3 MET A 939 6.099 14.604 -3.687 1.00 0.00 H new ATOM 0 HE1 MET A 939 1.748 15.002 -2.282 1.00 0.00 H new ATOM 0 HE2 MET A 939 2.870 14.016 -1.316 1.00 0.00 H new ATOM 0 HE3 MET A 939 3.196 15.747 -1.564 1.00 0.00 H new ATOM 392 N SER A 940 6.059 15.652 1.029 1.00 0.00 N ATOM 393 CA SER A 940 5.755 16.598 2.089 1.00 0.00 C ATOM 394 C SER A 940 6.984 17.458 2.390 1.00 0.00 C ATOM 395 O SER A 940 6.859 18.650 2.667 1.00 0.00 O ATOM 396 CB SER A 940 5.290 15.876 3.355 1.00 0.00 C ATOM 397 OG SER A 940 4.014 15.264 3.182 1.00 0.00 O ATOM 0 H SER A 940 5.691 14.712 1.178 1.00 0.00 H new ATOM 0 HA SER A 940 4.942 17.241 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 940 6.022 15.117 3.629 1.00 0.00 H new ATOM 0 HB3 SER A 940 5.243 16.586 4.181 1.00 0.00 H new ATOM 0 HG SER A 940 3.357 15.944 2.926 1.00 0.00 H new ATOM 403 N SER A 941 8.144 16.820 2.326 1.00 0.00 N ATOM 404 CA SER A 941 9.394 17.512 2.589 1.00 0.00 C ATOM 405 C SER A 941 9.633 18.584 1.524 1.00 0.00 C ATOM 406 O SER A 941 9.822 19.755 1.848 1.00 0.00 O ATOM 407 CB SER A 941 10.568 16.531 2.628 1.00 0.00 C ATOM 408 OG SER A 941 11.712 17.094 3.265 1.00 0.00 O ATOM 0 H SER A 941 8.244 15.831 2.096 1.00 0.00 H new ATOM 0 HA SER A 941 9.322 17.990 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.267 15.626 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 941 10.828 16.235 1.611 1.00 0.00 H new ATOM 0 HG SER A 941 12.439 16.437 3.272 1.00 0.00 H new ATOM 414 N LYS A 942 9.616 18.145 0.274 1.00 0.00 N ATOM 415 CA LYS A 942 9.828 19.052 -0.841 1.00 0.00 C ATOM 416 C LYS A 942 8.481 19.614 -1.299 1.00 0.00 C ATOM 417 O LYS A 942 8.336 20.029 -2.448 1.00 0.00 O ATOM 418 CB LYS A 942 10.615 18.358 -1.954 1.00 0.00 C ATOM 419 CG LYS A 942 9.859 17.136 -2.481 1.00 0.00 C ATOM 420 CD LYS A 942 9.865 17.105 -4.010 1.00 0.00 C ATOM 421 CE LYS A 942 8.440 17.177 -4.565 1.00 0.00 C ATOM 422 NZ LYS A 942 8.251 16.174 -5.637 1.00 0.00 N ATOM 0 H LYS A 942 9.459 17.173 0.009 1.00 0.00 H new ATOM 0 HA LYS A 942 10.439 19.900 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 942 10.794 19.059 -2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.591 18.052 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.317 16.226 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 942 8.831 17.155 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.451 17.941 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.349 16.192 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 942 7.722 17.002 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.245 18.176 -4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.030 16.658 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.123 15.619 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 7.467 15.539 -5.384 1.00 0.00 H new ATOM 436 N ILE A 943 7.529 19.609 -0.377 1.00 0.00 N ATOM 437 CA ILE A 943 6.199 20.114 -0.671 1.00 0.00 C ATOM 438 C ILE A 943 6.116 21.587 -0.269 1.00 0.00 C ATOM 439 O ILE A 943 5.752 22.437 -1.081 1.00 0.00 O ATOM 440 CB ILE A 943 5.135 19.235 -0.011 1.00 0.00 C ATOM 441 CG1 ILE A 943 4.117 18.740 -1.040 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.463 19.968 1.152 1.00 0.00 C ATOM 443 CD1 ILE A 943 2.940 19.711 -1.159 1.00 0.00 C ATOM 0 H ILE A 943 7.653 19.263 0.574 1.00 0.00 H new ATOM 0 HA ILE A 943 6.001 20.065 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 943 5.628 18.356 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.601 18.629 -2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.752 17.754 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.711 19.321 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.213 20.230 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 943 3.986 20.876 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.231 19.335 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.444 19.801 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.305 20.689 -1.472 1.00 0.00 H new ATOM 455 N GLN A 944 6.461 21.846 0.984 1.00 0.00 N ATOM 456 CA GLN A 944 6.430 23.202 1.504 1.00 0.00 C ATOM 457 C GLN A 944 7.081 24.167 0.510 1.00 0.00 C ATOM 458 O GLN A 944 6.505 25.200 0.174 1.00 0.00 O ATOM 459 CB GLN A 944 7.112 23.281 2.871 1.00 0.00 C ATOM 460 CG GLN A 944 6.233 24.023 3.880 1.00 0.00 C ATOM 461 CD GLN A 944 7.010 24.330 5.162 1.00 0.00 C ATOM 462 OE1 GLN A 944 7.581 25.395 5.332 1.00 0.00 O ATOM 463 NE2 GLN A 944 7.000 23.341 6.051 1.00 0.00 N ATOM 0 H GLN A 944 6.763 21.139 1.654 1.00 0.00 H new ATOM 0 HA GLN A 944 5.389 23.495 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 944 7.321 22.275 3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.071 23.791 2.774 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.871 24.952 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 944 5.357 23.420 4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 944 6.502 22.475 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 944 7.490 23.448 6.939 1.00 0.00 H new ATOM 472 N PRO A 945 8.305 23.785 0.056 1.00 0.00 N ATOM 473 CA PRO A 945 9.040 24.604 -0.892 1.00 0.00 C ATOM 474 C PRO A 945 8.444 24.486 -2.297 1.00 0.00 C ATOM 475 O PRO A 945 8.215 25.493 -2.964 1.00 0.00 O ATOM 476 CB PRO A 945 10.474 24.106 -0.812 1.00 0.00 C ATOM 477 CG PRO A 945 10.403 22.729 -0.173 1.00 0.00 C ATOM 478 CD PRO A 945 9.018 22.567 0.432 1.00 0.00 C ATOM 0 HA PRO A 945 8.987 25.667 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 945 10.925 24.054 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.089 24.781 -0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.588 21.953 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.170 22.624 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.518 21.680 0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.069 22.456 1.515 1.00 0.00 H new ATOM 486 N ALA A 946 8.210 23.247 -2.703 1.00 0.00 N ATOM 487 CA ALA A 946 7.645 22.984 -4.016 1.00 0.00 C ATOM 488 C ALA A 946 6.615 24.066 -4.349 1.00 0.00 C ATOM 489 O ALA A 946 5.790 24.422 -3.509 1.00 0.00 O ATOM 490 CB ALA A 946 7.042 21.578 -4.040 1.00 0.00 C ATOM 0 H ALA A 946 8.401 22.414 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 946 8.420 23.019 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 946 6.618 21.381 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 946 7.820 20.845 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.258 21.505 -3.286 1.00 0.00 H new ATOM 496 N PRO A 947 6.699 24.571 -5.609 1.00 0.00 N ATOM 497 CA PRO A 947 5.785 25.604 -6.063 1.00 0.00 C ATOM 498 C PRO A 947 4.399 25.023 -6.351 1.00 0.00 C ATOM 499 O PRO A 947 4.192 23.816 -6.234 1.00 0.00 O ATOM 500 CB PRO A 947 6.447 26.201 -7.295 1.00 0.00 C ATOM 501 CG PRO A 947 7.472 25.177 -7.754 1.00 0.00 C ATOM 502 CD PRO A 947 7.663 24.172 -6.630 1.00 0.00 C ATOM 0 HA PRO A 947 5.610 26.372 -5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 947 5.713 26.397 -8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 947 6.924 27.153 -7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.132 24.676 -8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 947 8.417 25.664 -7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 947 7.478 23.154 -6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 947 8.682 24.198 -6.244 1.00 0.00 H new ATOM 510 N PRO A 948 3.463 25.932 -6.733 1.00 0.00 N ATOM 511 CA PRO A 948 2.103 25.522 -7.039 1.00 0.00 C ATOM 512 C PRO A 948 2.033 24.827 -8.400 1.00 0.00 C ATOM 513 O PRO A 948 1.083 24.098 -8.681 1.00 0.00 O ATOM 514 CB PRO A 948 1.284 26.801 -6.983 1.00 0.00 C ATOM 515 CG PRO A 948 2.282 27.941 -7.107 1.00 0.00 C ATOM 516 CD PRO A 948 3.673 27.369 -6.883 1.00 0.00 C ATOM 0 HA PRO A 948 1.717 24.786 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.553 26.832 -7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.728 26.868 -6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.213 28.403 -8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.066 28.719 -6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.331 27.587 -7.724 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.138 27.796 -5.995 1.00 0.00 H new ATOM 524 N GLU A 949 3.051 25.078 -9.210 1.00 0.00 N ATOM 525 CA GLU A 949 3.117 24.485 -10.535 1.00 0.00 C ATOM 526 C GLU A 949 3.680 23.065 -10.454 1.00 0.00 C ATOM 527 O GLU A 949 3.359 22.217 -11.285 1.00 0.00 O ATOM 528 CB GLU A 949 3.950 25.351 -11.482 1.00 0.00 C ATOM 529 CG GLU A 949 5.390 25.481 -10.983 1.00 0.00 C ATOM 530 CD GLU A 949 5.871 26.932 -11.068 1.00 0.00 C ATOM 531 OE1 GLU A 949 5.140 27.803 -10.550 1.00 0.00 O ATOM 532 OE2 GLU A 949 6.959 27.136 -11.649 1.00 0.00 O ATOM 0 H GLU A 949 3.837 25.684 -8.974 1.00 0.00 H new ATOM 0 HA GLU A 949 2.106 24.432 -10.938 1.00 0.00 H new ATOM 0 HB2 GLU A 949 3.945 24.913 -12.480 1.00 0.00 H new ATOM 0 HB3 GLU A 949 3.500 26.340 -11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 949 5.454 25.133 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 949 6.044 24.842 -11.577 1.00 0.00 H new ATOM 539 N GLU A 950 4.511 22.849 -9.445 1.00 0.00 N ATOM 540 CA GLU A 950 5.122 21.546 -9.244 1.00 0.00 C ATOM 541 C GLU A 950 4.275 20.704 -8.287 1.00 0.00 C ATOM 542 O GLU A 950 4.537 19.517 -8.102 1.00 0.00 O ATOM 543 CB GLU A 950 6.556 21.686 -8.729 1.00 0.00 C ATOM 544 CG GLU A 950 7.496 20.721 -9.454 1.00 0.00 C ATOM 545 CD GLU A 950 8.148 21.395 -10.663 1.00 0.00 C ATOM 546 OE1 GLU A 950 7.385 21.945 -11.486 1.00 0.00 O ATOM 547 OE2 GLU A 950 9.395 21.345 -10.736 1.00 0.00 O ATOM 0 H GLU A 950 4.776 23.555 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 950 5.165 21.035 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 950 6.899 22.710 -8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 950 6.582 21.488 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.268 20.374 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 950 6.940 19.842 -9.779 1.00 0.00 H new ATOM 554 N TYR A 951 3.278 21.353 -7.705 1.00 0.00 N ATOM 555 CA TYR A 951 2.391 20.679 -6.771 1.00 0.00 C ATOM 556 C TYR A 951 1.282 19.929 -7.512 1.00 0.00 C ATOM 557 O TYR A 951 1.032 18.755 -7.240 1.00 0.00 O ATOM 558 CB TYR A 951 1.762 21.781 -5.917 1.00 0.00 C ATOM 559 CG TYR A 951 1.191 21.287 -4.586 1.00 0.00 C ATOM 560 CD1 TYR A 951 0.368 20.180 -4.557 1.00 0.00 C ATOM 561 CD2 TYR A 951 1.499 21.949 -3.415 1.00 0.00 C ATOM 562 CE1 TYR A 951 -0.170 19.715 -3.304 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.961 21.484 -2.162 1.00 0.00 C ATOM 564 CZ TYR A 951 0.154 20.390 -2.169 1.00 0.00 C ATOM 565 OH TYR A 951 -0.354 19.951 -0.986 1.00 0.00 O ATOM 0 H TYR A 951 3.064 22.338 -7.862 1.00 0.00 H new ATOM 0 HA TYR A 951 2.942 19.952 -6.175 1.00 0.00 H new ATOM 0 HB2 TYR A 951 2.513 22.545 -5.717 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.965 22.259 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 951 0.127 19.662 -5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 951 2.143 22.816 -3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -0.816 18.850 -3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 951 1.194 21.993 -1.238 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.038 20.528 -0.260 1.00 0.00 H new ATOM 575 N VAL A 952 0.647 20.637 -8.435 1.00 0.00 N ATOM 576 CA VAL A 952 -0.429 20.053 -9.218 1.00 0.00 C ATOM 577 C VAL A 952 0.012 18.684 -9.741 1.00 0.00 C ATOM 578 O VAL A 952 -0.727 17.707 -9.634 1.00 0.00 O ATOM 579 CB VAL A 952 -0.846 21.013 -10.333 1.00 0.00 C ATOM 580 CG1 VAL A 952 -1.122 20.256 -11.634 1.00 0.00 C ATOM 581 CG2 VAL A 952 -2.059 21.846 -9.914 1.00 0.00 C ATOM 0 H VAL A 952 0.857 21.610 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 952 -1.311 19.895 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 952 -0.017 21.697 -10.514 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -1.417 20.962 -12.410 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -0.221 19.729 -11.946 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.926 19.537 -11.473 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.335 22.520 -10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.896 21.184 -9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -1.812 22.428 -9.026 1.00 0.00 H new ATOM 591 N PRO A 953 1.247 18.657 -10.311 1.00 0.00 N ATOM 592 CA PRO A 953 1.794 17.424 -10.851 1.00 0.00 C ATOM 593 C PRO A 953 2.253 16.490 -9.730 1.00 0.00 C ATOM 594 O PRO A 953 1.814 15.344 -9.652 1.00 0.00 O ATOM 595 CB PRO A 953 2.931 17.864 -11.760 1.00 0.00 C ATOM 596 CG PRO A 953 3.277 19.283 -11.338 1.00 0.00 C ATOM 597 CD PRO A 953 2.150 19.794 -10.455 1.00 0.00 C ATOM 0 HA PRO A 953 1.057 16.845 -11.407 1.00 0.00 H new ATOM 0 HB2 PRO A 953 3.792 17.204 -11.655 1.00 0.00 H new ATOM 0 HB3 PRO A 953 2.629 17.830 -12.807 1.00 0.00 H new ATOM 0 HG2 PRO A 953 4.223 19.301 -10.798 1.00 0.00 H new ATOM 0 HG3 PRO A 953 3.397 19.923 -12.212 1.00 0.00 H new ATOM 0 HD2 PRO A 953 2.525 20.127 -9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 953 1.645 20.646 -10.911 1.00 0.00 H new ATOM 605 N MET A 954 3.132 17.015 -8.888 1.00 0.00 N ATOM 606 CA MET A 954 3.655 16.243 -7.774 1.00 0.00 C ATOM 607 C MET A 954 2.639 15.200 -7.305 1.00 0.00 C ATOM 608 O MET A 954 2.911 14.001 -7.345 1.00 0.00 O ATOM 609 CB MET A 954 3.994 17.183 -6.615 1.00 0.00 C ATOM 610 CG MET A 954 5.509 17.333 -6.457 1.00 0.00 C ATOM 611 SD MET A 954 5.896 18.940 -5.784 1.00 0.00 S ATOM 612 CE MET A 954 4.873 18.918 -4.321 1.00 0.00 C ATOM 0 H MET A 954 3.495 17.966 -8.955 1.00 0.00 H new ATOM 0 HA MET A 954 4.554 15.724 -8.107 1.00 0.00 H new ATOM 0 HB2 MET A 954 3.544 18.160 -6.791 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.565 16.796 -5.691 1.00 0.00 H new ATOM 0 HG2 MET A 954 5.894 16.552 -5.801 1.00 0.00 H new ATOM 0 HG3 MET A 954 5.998 17.207 -7.423 1.00 0.00 H new ATOM 0 HE1 MET A 954 4.855 19.912 -3.875 1.00 0.00 H new ATOM 0 HE2 MET A 954 3.859 18.623 -4.591 1.00 0.00 H new ATOM 0 HE3 MET A 954 5.280 18.205 -3.603 1.00 0.00 H new ATOM 622 N VAL A 955 1.489 15.694 -6.870 1.00 0.00 N ATOM 623 CA VAL A 955 0.431 14.820 -6.393 1.00 0.00 C ATOM 624 C VAL A 955 -0.005 13.889 -7.527 1.00 0.00 C ATOM 625 O VAL A 955 -0.049 12.672 -7.354 1.00 0.00 O ATOM 626 CB VAL A 955 -0.721 15.653 -5.827 1.00 0.00 C ATOM 627 CG1 VAL A 955 -2.019 14.843 -5.794 1.00 0.00 C ATOM 628 CG2 VAL A 955 -0.376 16.192 -4.438 1.00 0.00 C ATOM 0 H VAL A 955 1.267 16.689 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 955 0.792 14.193 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.875 16.505 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.822 15.458 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -2.278 14.530 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.883 13.963 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.211 16.780 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -0.182 15.359 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.512 16.821 -4.502 1.00 0.00 H new ATOM 638 N LYS A 956 -0.317 14.498 -8.662 1.00 0.00 N ATOM 639 CA LYS A 956 -0.748 13.739 -9.824 1.00 0.00 C ATOM 640 C LYS A 956 0.161 12.521 -9.998 1.00 0.00 C ATOM 641 O LYS A 956 -0.282 11.472 -10.465 1.00 0.00 O ATOM 642 CB LYS A 956 -0.812 14.640 -11.059 1.00 0.00 C ATOM 643 CG LYS A 956 -2.242 14.736 -11.593 1.00 0.00 C ATOM 644 CD LYS A 956 -2.567 16.164 -12.037 1.00 0.00 C ATOM 645 CE LYS A 956 -3.027 16.193 -13.496 1.00 0.00 C ATOM 646 NZ LYS A 956 -4.349 16.850 -13.609 1.00 0.00 N ATOM 0 H LYS A 956 -0.280 15.508 -8.802 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.761 13.363 -9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -0.446 15.635 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.156 14.247 -11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -2.367 14.053 -12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -2.944 14.423 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -3.346 16.579 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -1.687 16.795 -11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -2.296 16.726 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -3.085 15.177 -13.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -4.647 16.862 -14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -5.047 16.325 -13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -4.283 17.826 -13.256 1.00 0.00 H new ATOM 660 N GLU A 957 1.417 12.700 -9.614 1.00 0.00 N ATOM 661 CA GLU A 957 2.392 11.628 -9.722 1.00 0.00 C ATOM 662 C GLU A 957 2.024 10.478 -8.783 1.00 0.00 C ATOM 663 O GLU A 957 1.957 9.325 -9.205 1.00 0.00 O ATOM 664 CB GLU A 957 3.805 12.141 -9.433 1.00 0.00 C ATOM 665 CG GLU A 957 4.813 11.558 -10.425 1.00 0.00 C ATOM 666 CD GLU A 957 5.300 10.182 -9.967 1.00 0.00 C ATOM 667 OE1 GLU A 957 4.426 9.355 -9.626 1.00 0.00 O ATOM 668 OE2 GLU A 957 6.535 9.987 -9.967 1.00 0.00 O ATOM 0 H GLU A 957 1.781 13.571 -9.228 1.00 0.00 H new ATOM 0 HA GLU A 957 2.379 11.253 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 957 3.820 13.229 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.093 11.872 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 957 4.353 11.476 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 957 5.662 12.234 -10.525 1.00 0.00 H new ATOM 675 N VAL A 958 1.795 10.833 -7.527 1.00 0.00 N ATOM 676 CA VAL A 958 1.435 9.845 -6.524 1.00 0.00 C ATOM 677 C VAL A 958 0.267 9.002 -7.041 1.00 0.00 C ATOM 678 O VAL A 958 0.201 7.801 -6.782 1.00 0.00 O ATOM 679 CB VAL A 958 1.130 10.536 -5.194 1.00 0.00 C ATOM 680 CG1 VAL A 958 -0.373 10.772 -5.030 1.00 0.00 C ATOM 681 CG2 VAL A 958 1.690 9.734 -4.018 1.00 0.00 C ATOM 0 H VAL A 958 1.852 11.791 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 958 2.269 9.168 -6.339 1.00 0.00 H new ATOM 0 HB VAL A 958 1.623 11.508 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.562 11.264 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.733 11.404 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -0.896 9.816 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 958 1.459 10.248 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 958 1.240 8.741 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 958 2.771 9.641 -4.123 1.00 0.00 H new ATOM 691 N GLY A 959 -0.625 9.664 -7.763 1.00 0.00 N ATOM 692 CA GLY A 959 -1.787 8.990 -8.319 1.00 0.00 C ATOM 693 C GLY A 959 -1.371 7.947 -9.358 1.00 0.00 C ATOM 694 O GLY A 959 -1.901 6.838 -9.375 1.00 0.00 O ATOM 0 H GLY A 959 -0.567 10.660 -7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.349 8.508 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.451 9.722 -8.779 1.00 0.00 H new ATOM 698 N LEU A 960 -0.425 8.340 -10.198 1.00 0.00 N ATOM 699 CA LEU A 960 0.068 7.453 -11.238 1.00 0.00 C ATOM 700 C LEU A 960 0.690 6.213 -10.591 1.00 0.00 C ATOM 701 O LEU A 960 0.533 5.102 -11.095 1.00 0.00 O ATOM 702 CB LEU A 960 1.020 8.201 -12.173 1.00 0.00 C ATOM 703 CG LEU A 960 0.632 8.216 -13.653 1.00 0.00 C ATOM 704 CD1 LEU A 960 1.069 9.521 -14.322 1.00 0.00 C ATOM 705 CD2 LEU A 960 1.186 6.987 -14.378 1.00 0.00 C ATOM 0 H LEU A 960 0.013 9.261 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.753 7.108 -11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 960 1.100 9.232 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 960 2.011 7.756 -12.082 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.455 8.168 -13.721 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.781 9.505 -15.373 1.00 0.00 H new ATOM 0 HD12 LEU A 960 0.587 10.363 -13.826 1.00 0.00 H new ATOM 0 HD13 LEU A 960 2.151 9.625 -14.244 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.896 7.022 -15.428 1.00 0.00 H new ATOM 0 HD22 LEU A 960 2.273 6.979 -14.302 1.00 0.00 H new ATOM 0 HD23 LEU A 960 0.784 6.083 -13.921 1.00 0.00 H new ATOM 717 N ALA A 961 1.381 6.445 -9.485 1.00 0.00 N ATOM 718 CA ALA A 961 2.027 5.361 -8.765 1.00 0.00 C ATOM 719 C ALA A 961 0.959 4.487 -8.103 1.00 0.00 C ATOM 720 O ALA A 961 1.048 3.261 -8.134 1.00 0.00 O ATOM 721 CB ALA A 961 3.017 5.939 -7.752 1.00 0.00 C ATOM 0 H ALA A 961 1.508 7.368 -9.070 1.00 0.00 H new ATOM 0 HA ALA A 961 2.593 4.729 -9.450 1.00 0.00 H new ATOM 0 HB1 ALA A 961 3.502 5.126 -7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.771 6.527 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 961 2.485 6.577 -7.046 1.00 0.00 H new ATOM 727 N LEU A 962 -0.027 5.154 -7.519 1.00 0.00 N ATOM 728 CA LEU A 962 -1.110 4.454 -6.851 1.00 0.00 C ATOM 729 C LEU A 962 -1.881 3.619 -7.875 1.00 0.00 C ATOM 730 O LEU A 962 -2.363 2.532 -7.559 1.00 0.00 O ATOM 731 CB LEU A 962 -1.987 5.439 -6.076 1.00 0.00 C ATOM 732 CG LEU A 962 -3.490 5.154 -6.091 1.00 0.00 C ATOM 733 CD1 LEU A 962 -4.088 5.286 -4.689 1.00 0.00 C ATOM 734 CD2 LEU A 962 -4.207 6.047 -7.105 1.00 0.00 C ATOM 0 H LEU A 962 -0.098 6.171 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 962 -0.714 3.762 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.651 5.456 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -1.823 6.438 -6.481 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.638 4.122 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -5.157 5.078 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -3.605 4.575 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -3.929 6.299 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -5.274 5.824 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -4.052 7.093 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -3.806 5.861 -8.101 1.00 0.00 H new ATOM 746 N ARG A 963 -1.973 4.158 -9.082 1.00 0.00 N ATOM 747 CA ARG A 963 -2.677 3.476 -10.155 1.00 0.00 C ATOM 748 C ARG A 963 -2.015 2.129 -10.451 1.00 0.00 C ATOM 749 O ARG A 963 -2.664 1.086 -10.380 1.00 0.00 O ATOM 750 CB ARG A 963 -2.690 4.322 -11.430 1.00 0.00 C ATOM 751 CG ARG A 963 -4.043 4.227 -12.137 1.00 0.00 C ATOM 752 CD ARG A 963 -4.967 5.368 -11.709 1.00 0.00 C ATOM 753 NE ARG A 963 -4.791 6.528 -12.611 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.138 6.533 -13.905 1.00 0.00 C ATOM 755 NH1 ARG A 963 -5.682 5.439 -14.457 1.00 0.00 N ATOM 756 NH2 ARG A 963 -4.941 7.631 -14.647 1.00 0.00 N ATOM 0 H ARG A 963 -1.572 5.059 -9.341 1.00 0.00 H new ATOM 0 HA ARG A 963 -3.705 3.316 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -2.477 5.362 -11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -1.900 3.986 -12.102 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -3.896 4.259 -13.217 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -4.511 3.270 -11.907 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.004 5.034 -11.731 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -4.747 5.659 -10.682 1.00 0.00 H new ATOM 0 HE ARG A 963 -4.380 7.377 -12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -5.832 4.603 -13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -5.946 5.443 -15.442 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -4.527 8.463 -14.227 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -5.205 7.635 -15.632 1.00 0.00 H new ATOM 770 N THR A 964 -0.733 2.194 -10.778 1.00 0.00 N ATOM 771 CA THR A 964 0.023 0.993 -11.086 1.00 0.00 C ATOM 772 C THR A 964 -0.105 -0.024 -9.949 1.00 0.00 C ATOM 773 O THR A 964 -0.034 -1.230 -10.179 1.00 0.00 O ATOM 774 CB THR A 964 1.469 1.404 -11.373 1.00 0.00 C ATOM 775 OG1 THR A 964 1.420 1.945 -12.690 1.00 0.00 O ATOM 776 CG2 THR A 964 2.406 0.201 -11.499 1.00 0.00 C ATOM 0 H THR A 964 -0.198 3.061 -10.836 1.00 0.00 H new ATOM 0 HA THR A 964 -0.370 0.495 -11.972 1.00 0.00 H new ATOM 0 HB THR A 964 1.825 2.059 -10.578 1.00 0.00 H new ATOM 0 HG1 THR A 964 2.316 2.239 -12.957 1.00 0.00 H new ATOM 0 HG21 THR A 964 3.419 0.548 -11.702 1.00 0.00 H new ATOM 0 HG22 THR A 964 2.397 -0.366 -10.568 1.00 0.00 H new ATOM 0 HG23 THR A 964 2.070 -0.438 -12.316 1.00 0.00 H new ATOM 784 N LEU A 965 -0.291 0.501 -8.747 1.00 0.00 N ATOM 785 CA LEU A 965 -0.429 -0.345 -7.574 1.00 0.00 C ATOM 786 C LEU A 965 -1.609 -1.299 -7.775 1.00 0.00 C ATOM 787 O LEU A 965 -1.462 -2.512 -7.636 1.00 0.00 O ATOM 788 CB LEU A 965 -0.536 0.507 -6.308 1.00 0.00 C ATOM 789 CG LEU A 965 0.644 0.420 -5.339 1.00 0.00 C ATOM 790 CD1 LEU A 965 1.485 1.698 -5.382 1.00 0.00 C ATOM 791 CD2 LEU A 965 0.168 0.095 -3.922 1.00 0.00 C ATOM 0 H LEU A 965 -0.349 1.502 -8.560 1.00 0.00 H new ATOM 0 HA LEU A 965 0.461 -0.961 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -0.661 1.548 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.441 0.217 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 965 1.287 -0.400 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 965 2.317 1.610 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 965 1.872 1.845 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 965 0.866 2.551 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 965 1.027 0.039 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.509 0.876 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -0.353 -0.862 -3.924 1.00 0.00 H new ATOM 803 N LEU A 966 -2.753 -0.714 -8.099 1.00 0.00 N ATOM 804 CA LEU A 966 -3.957 -1.497 -8.321 1.00 0.00 C ATOM 805 C LEU A 966 -3.639 -2.656 -9.267 1.00 0.00 C ATOM 806 O LEU A 966 -3.973 -3.805 -8.980 1.00 0.00 O ATOM 807 CB LEU A 966 -5.097 -0.600 -8.808 1.00 0.00 C ATOM 808 CG LEU A 966 -5.689 0.356 -7.770 1.00 0.00 C ATOM 809 CD1 LEU A 966 -4.766 1.554 -7.539 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.102 0.789 -8.167 1.00 0.00 C ATOM 0 H LEU A 966 -2.872 0.293 -8.213 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.305 -1.935 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.735 -0.011 -9.650 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -5.898 -1.236 -9.185 1.00 0.00 H new ATOM 0 HG LEU A 966 -5.769 -0.176 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.210 2.218 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -3.798 1.204 -7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -4.631 2.095 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -7.500 1.468 -7.413 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.070 1.296 -9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -7.744 -0.089 -8.240 1.00 0.00 H new ATOM 822 N ALA A 967 -2.998 -2.315 -10.375 1.00 0.00 N ATOM 823 CA ALA A 967 -2.632 -3.314 -11.365 1.00 0.00 C ATOM 824 C ALA A 967 -1.714 -4.353 -10.719 1.00 0.00 C ATOM 825 O ALA A 967 -2.034 -5.541 -10.697 1.00 0.00 O ATOM 826 CB ALA A 967 -1.980 -2.627 -12.567 1.00 0.00 C ATOM 0 H ALA A 967 -2.723 -1.361 -10.609 1.00 0.00 H new ATOM 0 HA ALA A 967 -3.517 -3.836 -11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.705 -3.376 -13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -2.683 -1.920 -13.008 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.086 -2.095 -12.241 1.00 0.00 H new ATOM 832 N THR A 968 -0.591 -3.869 -10.209 1.00 0.00 N ATOM 833 CA THR A 968 0.375 -4.742 -9.564 1.00 0.00 C ATOM 834 C THR A 968 -0.309 -5.602 -8.501 1.00 0.00 C ATOM 835 O THR A 968 0.032 -6.772 -8.329 1.00 0.00 O ATOM 836 CB THR A 968 1.502 -3.869 -9.007 1.00 0.00 C ATOM 837 OG1 THR A 968 0.854 -3.032 -8.054 1.00 0.00 O ATOM 838 CG2 THR A 968 2.054 -2.892 -10.047 1.00 0.00 C ATOM 0 H THR A 968 -0.329 -2.884 -10.229 1.00 0.00 H new ATOM 0 HA THR A 968 0.809 -5.445 -10.275 1.00 0.00 H new ATOM 0 HB THR A 968 2.308 -4.506 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 968 -0.097 -2.957 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.851 -2.297 -9.600 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.450 -3.449 -10.896 1.00 0.00 H new ATOM 0 HG23 THR A 968 1.255 -2.232 -10.387 1.00 0.00 H new ATOM 846 N VAL A 969 -1.263 -4.990 -7.814 1.00 0.00 N ATOM 847 CA VAL A 969 -1.998 -5.685 -6.771 1.00 0.00 C ATOM 848 C VAL A 969 -2.759 -6.861 -7.388 1.00 0.00 C ATOM 849 O VAL A 969 -2.775 -7.956 -6.828 1.00 0.00 O ATOM 850 CB VAL A 969 -2.910 -4.705 -6.031 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.790 -5.435 -5.015 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.095 -3.600 -5.357 1.00 0.00 C ATOM 0 H VAL A 969 -1.544 -4.020 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.313 -6.094 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.565 -4.237 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.428 -4.715 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.410 -6.168 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.159 -5.943 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.767 -2.917 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.404 -4.043 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.532 -3.051 -6.112 1.00 0.00 H new ATOM 862 N ASP A 970 -3.371 -6.594 -8.532 1.00 0.00 N ATOM 863 CA ASP A 970 -4.132 -7.616 -9.231 1.00 0.00 C ATOM 864 C ASP A 970 -3.287 -8.886 -9.343 1.00 0.00 C ATOM 865 O ASP A 970 -3.807 -9.994 -9.218 1.00 0.00 O ATOM 866 CB ASP A 970 -4.494 -7.162 -10.646 1.00 0.00 C ATOM 867 CG ASP A 970 -5.612 -7.962 -11.316 1.00 0.00 C ATOM 868 OD1 ASP A 970 -6.760 -7.845 -10.835 1.00 0.00 O ATOM 869 OD2 ASP A 970 -5.295 -8.674 -12.293 1.00 0.00 O ATOM 0 H ASP A 970 -3.356 -5.684 -8.993 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.046 -7.801 -8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -4.789 -6.113 -10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -3.602 -7.221 -11.270 1.00 0.00 H new ATOM 874 N GLU A 971 -1.999 -8.684 -9.578 1.00 0.00 N ATOM 875 CA GLU A 971 -1.077 -9.799 -9.709 1.00 0.00 C ATOM 876 C GLU A 971 -0.742 -10.375 -8.332 1.00 0.00 C ATOM 877 O GLU A 971 -0.367 -11.541 -8.217 1.00 0.00 O ATOM 878 CB GLU A 971 0.192 -9.378 -10.451 1.00 0.00 C ATOM 879 CG GLU A 971 -0.053 -9.303 -11.960 1.00 0.00 C ATOM 880 CD GLU A 971 1.206 -9.687 -12.739 1.00 0.00 C ATOM 881 OE1 GLU A 971 1.785 -10.741 -12.400 1.00 0.00 O ATOM 882 OE2 GLU A 971 1.561 -8.916 -13.658 1.00 0.00 O ATOM 0 H GLU A 971 -1.572 -7.764 -9.681 1.00 0.00 H new ATOM 0 HA GLU A 971 -1.561 -10.577 -10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.526 -8.407 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 971 0.991 -10.089 -10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -0.871 -9.969 -12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -0.360 -8.293 -12.233 1.00 0.00 H new ATOM 889 N SER A 972 -0.890 -9.531 -7.321 1.00 0.00 N ATOM 890 CA SER A 972 -0.607 -9.942 -5.956 1.00 0.00 C ATOM 891 C SER A 972 -1.835 -10.626 -5.351 1.00 0.00 C ATOM 892 O SER A 972 -1.706 -11.469 -4.465 1.00 0.00 O ATOM 893 CB SER A 972 -0.188 -8.747 -5.097 1.00 0.00 C ATOM 894 OG SER A 972 1.088 -8.946 -4.494 1.00 0.00 O ATOM 0 H SER A 972 -1.202 -8.565 -7.420 1.00 0.00 H new ATOM 0 HA SER A 972 0.222 -10.649 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.162 -7.848 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 972 -0.934 -8.579 -4.320 1.00 0.00 H new ATOM 0 HG SER A 972 1.073 -8.602 -3.576 1.00 0.00 H new ATOM 900 N LEU A 973 -2.997 -10.236 -5.853 1.00 0.00 N ATOM 901 CA LEU A 973 -4.247 -10.801 -5.372 1.00 0.00 C ATOM 902 C LEU A 973 -4.085 -12.313 -5.199 1.00 0.00 C ATOM 903 O LEU A 973 -4.383 -12.855 -4.136 1.00 0.00 O ATOM 904 CB LEU A 973 -5.402 -10.408 -6.295 1.00 0.00 C ATOM 905 CG LEU A 973 -6.623 -9.785 -5.614 1.00 0.00 C ATOM 906 CD1 LEU A 973 -7.918 -10.230 -6.296 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.630 -10.092 -4.115 1.00 0.00 C ATOM 0 H LEU A 973 -3.100 -9.536 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.498 -10.393 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.025 -9.703 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.727 -11.297 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.559 -8.702 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -8.770 -9.773 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -7.904 -9.919 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.004 -11.315 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.508 -9.638 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.659 -11.171 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -5.729 -9.686 -3.656 1.00 0.00 H new ATOM 919 N PRO A 974 -3.600 -12.967 -6.288 1.00 0.00 N ATOM 920 CA PRO A 974 -3.395 -14.406 -6.266 1.00 0.00 C ATOM 921 C PRO A 974 -2.152 -14.770 -5.451 1.00 0.00 C ATOM 922 O PRO A 974 -2.120 -15.809 -4.794 1.00 0.00 O ATOM 923 CB PRO A 974 -3.286 -14.809 -7.728 1.00 0.00 C ATOM 924 CG PRO A 974 -2.969 -13.533 -8.490 1.00 0.00 C ATOM 925 CD PRO A 974 -3.236 -12.358 -7.564 1.00 0.00 C ATOM 0 HA PRO A 974 -4.210 -14.940 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.503 -15.554 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.217 -15.254 -8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -1.929 -13.532 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.585 -13.460 -9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.354 -11.725 -7.463 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.039 -11.728 -7.945 1.00 0.00 H new ATOM 933 N VAL A 975 -1.161 -13.894 -5.520 1.00 0.00 N ATOM 934 CA VAL A 975 0.081 -14.111 -4.797 1.00 0.00 C ATOM 935 C VAL A 975 -0.238 -14.530 -3.360 1.00 0.00 C ATOM 936 O VAL A 975 0.504 -15.303 -2.756 1.00 0.00 O ATOM 937 CB VAL A 975 0.957 -12.859 -4.874 1.00 0.00 C ATOM 938 CG1 VAL A 975 2.051 -12.889 -3.805 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.558 -12.696 -6.271 1.00 0.00 C ATOM 0 H VAL A 975 -1.192 -13.033 -6.065 1.00 0.00 H new ATOM 0 HA VAL A 975 0.652 -14.920 -5.253 1.00 0.00 H new ATOM 0 HB VAL A 975 0.323 -11.994 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.659 -11.988 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.593 -12.935 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.681 -13.766 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 975 2.176 -11.799 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 975 2.171 -13.566 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.756 -12.607 -7.004 1.00 0.00 H new ATOM 949 N LEU A 976 -1.342 -14.001 -2.854 1.00 0.00 N ATOM 950 CA LEU A 976 -1.768 -14.310 -1.500 1.00 0.00 C ATOM 951 C LEU A 976 -3.025 -15.181 -1.551 1.00 0.00 C ATOM 952 O LEU A 976 -3.772 -15.142 -2.528 1.00 0.00 O ATOM 953 CB LEU A 976 -1.943 -13.026 -0.686 1.00 0.00 C ATOM 954 CG LEU A 976 -0.780 -12.033 -0.743 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.559 -12.744 -0.534 1.00 0.00 C ATOM 956 CD2 LEU A 976 -0.807 -11.232 -2.046 1.00 0.00 C ATOM 0 H LEU A 976 -1.955 -13.360 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 976 -1.001 -14.886 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.844 -12.520 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.111 -13.300 0.356 1.00 0.00 H new ATOM 0 HG LEU A 976 -0.897 -11.322 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.369 -12.016 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.564 -13.232 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.700 -13.492 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 976 0.030 -10.534 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -0.727 -11.913 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -1.743 -10.678 -2.113 1.00 0.00 H new ATOM 968 N PRO A 977 -3.225 -15.968 -0.460 1.00 0.00 N ATOM 969 CA PRO A 977 -4.378 -16.847 -0.372 1.00 0.00 C ATOM 970 C PRO A 977 -5.651 -16.052 -0.075 1.00 0.00 C ATOM 971 O PRO A 977 -5.623 -14.824 -0.023 1.00 0.00 O ATOM 972 CB PRO A 977 -4.031 -17.842 0.723 1.00 0.00 C ATOM 973 CG PRO A 977 -2.905 -17.207 1.522 1.00 0.00 C ATOM 974 CD PRO A 977 -2.361 -16.040 0.715 1.00 0.00 C ATOM 0 HA PRO A 977 -4.587 -17.363 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.895 -18.042 1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.719 -18.796 0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.270 -16.864 2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -2.118 -17.935 1.718 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.393 -15.113 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.321 -16.204 0.433 1.00 0.00 H new ATOM 982 N ALA A 978 -6.739 -16.786 0.110 1.00 0.00 N ATOM 983 CA ALA A 978 -8.020 -16.165 0.400 1.00 0.00 C ATOM 984 C ALA A 978 -7.875 -15.250 1.618 1.00 0.00 C ATOM 985 O ALA A 978 -6.806 -15.178 2.221 1.00 0.00 O ATOM 986 CB ALA A 978 -9.078 -17.251 0.610 1.00 0.00 C ATOM 0 H ALA A 978 -6.759 -17.805 0.065 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.346 -15.549 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -10.039 -16.785 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -9.164 -17.855 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.786 -17.887 1.445 1.00 0.00 H new ATOM 992 N SER A 979 -8.967 -14.574 1.943 1.00 0.00 N ATOM 993 CA SER A 979 -8.975 -13.666 3.077 1.00 0.00 C ATOM 994 C SER A 979 -8.021 -12.498 2.819 1.00 0.00 C ATOM 995 O SER A 979 -7.453 -11.937 3.756 1.00 0.00 O ATOM 996 CB SER A 979 -8.587 -14.393 4.367 1.00 0.00 C ATOM 997 OG SER A 979 -9.729 -14.765 5.133 1.00 0.00 O ATOM 0 H SER A 979 -9.853 -14.637 1.441 1.00 0.00 H new ATOM 0 HA SER A 979 -9.987 -13.280 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 979 -8.009 -15.284 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 979 -7.942 -13.750 4.966 1.00 0.00 H new ATOM 0 HG SER A 979 -9.440 -15.228 5.947 1.00 0.00 H new ATOM 1003 N THR A 980 -7.874 -12.165 1.545 1.00 0.00 N ATOM 1004 CA THR A 980 -6.999 -11.074 1.153 1.00 0.00 C ATOM 1005 C THR A 980 -7.804 -9.961 0.479 1.00 0.00 C ATOM 1006 O THR A 980 -7.806 -8.822 0.945 1.00 0.00 O ATOM 1007 CB THR A 980 -5.896 -11.650 0.263 1.00 0.00 C ATOM 1008 OG1 THR A 980 -6.536 -12.709 -0.443 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.798 -12.348 1.068 1.00 0.00 C ATOM 0 H THR A 980 -8.346 -12.632 0.771 1.00 0.00 H new ATOM 0 HA THR A 980 -6.529 -10.612 2.021 1.00 0.00 H new ATOM 0 HB THR A 980 -5.456 -10.850 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 980 -6.378 -13.556 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 980 -4.041 -12.738 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.338 -11.634 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 980 -5.231 -13.169 1.639 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.469 -10.329 -0.606 1.00 0.00 N ATOM 1018 CA HIS A 981 -9.276 -9.375 -1.349 1.00 0.00 C ATOM 1019 C HIS A 981 -10.099 -8.531 -0.374 1.00 0.00 C ATOM 1020 O HIS A 981 -10.067 -7.303 -0.431 1.00 0.00 O ATOM 1021 CB HIS A 981 -10.139 -10.089 -2.390 1.00 0.00 C ATOM 1022 CG HIS A 981 -10.638 -11.445 -1.950 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -10.025 -12.663 -1.950 1.00 0.00 N flip ATOM 1024 CD2 HIS A 981 -11.908 -11.647 -1.438 1.00 0.00 C flip ATOM 1025 CE1 HIS A 981 -10.873 -13.561 -1.464 1.00 0.00 C flip ATOM 1026 NE2 HIS A 981 -12.042 -12.933 -1.147 1.00 0.00 N flip ATOM 0 H HIS A 981 -8.466 -11.274 -0.989 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.627 -8.697 -1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.995 -9.459 -2.631 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -9.561 -10.206 -3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -12.662 -10.886 -1.299 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -10.671 -14.615 -1.340 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -12.873 -13.376 -0.755 1.00 0.00 H new ATOM 1034 N ARG A 982 -10.817 -9.223 0.498 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.647 -8.553 1.484 1.00 0.00 C ATOM 1036 C ARG A 982 -10.865 -7.422 2.156 1.00 0.00 C ATOM 1037 O ARG A 982 -11.087 -6.249 1.863 1.00 0.00 O ATOM 1038 CB ARG A 982 -12.133 -9.533 2.554 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.631 -9.362 2.813 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.448 -10.355 1.984 1.00 0.00 C ATOM 1041 NE ARG A 982 -14.719 -11.575 2.777 1.00 0.00 N ATOM 1042 CZ ARG A 982 -15.458 -12.605 2.343 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -16.005 -12.568 1.121 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -15.650 -13.671 3.132 1.00 0.00 N ATOM 0 H ARG A 982 -10.841 -10.242 0.542 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.513 -8.143 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -11.930 -10.555 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -11.579 -9.371 3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -13.840 -9.509 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.932 -8.344 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -15.387 -9.897 1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -13.906 -10.615 1.075 1.00 0.00 H new ATOM 0 HE ARG A 982 -14.318 -11.635 3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -15.859 -11.756 0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -16.568 -13.352 0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -15.234 -13.698 4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -16.213 -14.455 2.802 1.00 0.00 H new ATOM 1058 N GLU A 983 -9.965 -7.816 3.046 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.148 -6.851 3.762 1.00 0.00 C ATOM 1060 C GLU A 983 -8.415 -5.939 2.775 1.00 0.00 C ATOM 1061 O GLU A 983 -8.378 -4.724 2.958 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.161 -7.553 4.696 1.00 0.00 C ATOM 1063 CG GLU A 983 -8.873 -8.098 5.936 1.00 0.00 C ATOM 1064 CD GLU A 983 -7.927 -8.139 7.138 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -7.559 -7.041 7.608 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -7.593 -9.268 7.559 1.00 0.00 O ATOM 0 H GLU A 983 -9.784 -8.790 3.287 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.804 -6.235 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -7.670 -8.369 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.381 -6.854 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -9.735 -7.473 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -9.251 -9.100 5.732 1.00 0.00 H new ATOM 1073 N ILE A 984 -7.851 -6.562 1.751 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.122 -5.823 0.735 1.00 0.00 C ATOM 1075 C ILE A 984 -8.039 -4.760 0.126 1.00 0.00 C ATOM 1076 O ILE A 984 -7.575 -3.703 -0.297 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.520 -6.780 -0.297 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.358 -7.573 0.304 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.107 -6.030 -1.565 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.568 -8.299 -0.786 1.00 0.00 C ATOM 0 H ILE A 984 -7.884 -7.571 1.603 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.277 -5.298 1.180 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.287 -7.499 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.697 -6.899 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.741 -8.297 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.682 -6.733 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -6.981 -5.548 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.363 -5.274 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.748 -8.855 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.226 -8.989 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.166 -7.571 -1.491 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.325 -5.079 0.101 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.312 -4.165 -0.449 1.00 0.00 C ATOM 1094 C GLU A 985 -10.406 -2.904 0.413 1.00 0.00 C ATOM 1095 O GLU A 985 -10.448 -1.792 -0.111 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.677 -4.844 -0.577 1.00 0.00 C ATOM 1097 CG GLU A 985 -12.167 -4.820 -2.026 1.00 0.00 C ATOM 1098 CD GLU A 985 -13.258 -3.765 -2.219 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.103 -2.674 -1.630 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -14.223 -4.074 -2.951 1.00 0.00 O ATOM 0 H GLU A 985 -9.706 -5.957 0.453 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.992 -3.875 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.608 -5.875 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.400 -4.339 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -11.331 -4.610 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -12.553 -5.802 -2.299 1.00 0.00 H new ATOM 1107 N MET A 986 -10.435 -3.120 1.720 1.00 0.00 N ATOM 1108 CA MET A 986 -10.523 -2.014 2.659 1.00 0.00 C ATOM 1109 C MET A 986 -9.252 -1.164 2.626 1.00 0.00 C ATOM 1110 O MET A 986 -9.278 0.012 2.986 1.00 0.00 O ATOM 1111 CB MET A 986 -10.736 -2.561 4.072 1.00 0.00 C ATOM 1112 CG MET A 986 -12.187 -2.374 4.520 1.00 0.00 C ATOM 1113 SD MET A 986 -12.709 -3.773 5.498 1.00 0.00 S ATOM 1114 CE MET A 986 -12.871 -5.005 4.216 1.00 0.00 C ATOM 0 H MET A 986 -10.399 -4.044 2.151 1.00 0.00 H new ATOM 0 HA MET A 986 -11.365 -1.384 2.373 1.00 0.00 H new ATOM 0 HB2 MET A 986 -10.477 -3.619 4.099 1.00 0.00 H new ATOM 0 HB3 MET A 986 -10.069 -2.052 4.767 1.00 0.00 H new ATOM 0 HG2 MET A 986 -12.281 -1.457 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 986 -12.834 -2.267 3.649 1.00 0.00 H new ATOM 0 HE1 MET A 986 -13.855 -5.469 4.279 1.00 0.00 H new ATOM 0 HE2 MET A 986 -12.755 -4.533 3.241 1.00 0.00 H new ATOM 0 HE3 MET A 986 -12.102 -5.767 4.344 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.170 -1.792 2.190 1.00 0.00 N ATOM 1125 CA ALA A 987 -6.891 -1.108 2.105 1.00 0.00 C ATOM 1126 C ALA A 987 -6.791 -0.387 0.759 1.00 0.00 C ATOM 1127 O ALA A 987 -6.182 0.677 0.664 1.00 0.00 O ATOM 1128 CB ALA A 987 -5.758 -2.115 2.313 1.00 0.00 C ATOM 0 H ALA A 987 -8.153 -2.767 1.892 1.00 0.00 H new ATOM 0 HA ALA A 987 -6.806 -0.355 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -4.799 -1.602 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.858 -2.577 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -5.809 -2.885 1.543 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.399 -0.996 -0.248 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.386 -0.426 -1.585 1.00 0.00 C ATOM 1136 C GLN A 988 -8.272 0.820 -1.639 1.00 0.00 C ATOM 1137 O GLN A 988 -7.866 1.852 -2.171 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.827 -1.458 -2.625 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.755 -2.532 -2.821 1.00 0.00 C ATOM 1140 CD GLN A 988 -5.705 -2.080 -3.838 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -4.607 -1.672 -3.497 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -6.102 -2.176 -5.104 1.00 0.00 N ATOM 0 H GLN A 988 -7.904 -1.878 -0.165 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.364 -0.132 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.760 -1.924 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -8.026 -0.961 -3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -6.273 -2.748 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -7.220 -3.458 -3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -7.035 -2.526 -5.321 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -5.473 -1.900 -5.858 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.466 0.683 -1.080 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.412 1.785 -1.058 1.00 0.00 C ATOM 1153 C LYS A 989 -9.847 2.921 -0.203 1.00 0.00 C ATOM 1154 O LYS A 989 -10.014 4.094 -0.533 1.00 0.00 O ATOM 1155 CB LYS A 989 -11.790 1.299 -0.602 1.00 0.00 C ATOM 1156 CG LYS A 989 -12.802 1.365 -1.747 1.00 0.00 C ATOM 1157 CD LYS A 989 -13.724 0.144 -1.735 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.188 0.561 -1.888 1.00 0.00 C ATOM 1159 NZ LYS A 989 -15.528 0.746 -3.316 1.00 0.00 N ATOM 0 H LYS A 989 -9.799 -0.174 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.556 2.183 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -11.716 0.275 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.138 1.910 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -13.396 2.275 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -12.275 1.418 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -13.448 -0.532 -2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -13.594 -0.405 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.836 -0.198 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.367 1.488 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -16.525 1.029 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -14.922 1.486 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -15.376 -0.147 -3.827 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.189 2.532 0.880 1.00 0.00 N ATOM 1174 CA LEU A 990 -8.597 3.503 1.785 1.00 0.00 C ATOM 1175 C LEU A 990 -7.717 4.467 0.987 1.00 0.00 C ATOM 1176 O LEU A 990 -7.902 5.681 1.052 1.00 0.00 O ATOM 1177 CB LEU A 990 -7.860 2.795 2.923 1.00 0.00 C ATOM 1178 CG LEU A 990 -8.388 3.063 4.334 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -8.116 1.874 5.256 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -7.815 4.367 4.895 1.00 0.00 C ATOM 0 H LEU A 990 -9.053 1.558 1.151 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.373 4.101 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -7.897 1.721 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -6.811 3.088 2.887 1.00 0.00 H new ATOM 0 HG LEU A 990 -9.470 3.185 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.501 2.091 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -8.610 0.987 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -7.042 1.696 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.206 4.534 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -6.728 4.299 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.103 5.198 4.251 1.00 0.00 H new ATOM 1192 N LEU A 991 -6.777 3.889 0.253 1.00 0.00 N ATOM 1193 CA LEU A 991 -5.867 4.682 -0.556 1.00 0.00 C ATOM 1194 C LEU A 991 -6.672 5.669 -1.403 1.00 0.00 C ATOM 1195 O LEU A 991 -6.593 6.879 -1.197 1.00 0.00 O ATOM 1196 CB LEU A 991 -4.949 3.773 -1.377 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.451 4.069 -1.280 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -3.193 5.576 -1.222 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -2.822 3.333 -0.095 1.00 0.00 C ATOM 0 H LEU A 991 -6.626 2.882 0.202 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.207 5.272 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -5.117 2.742 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.245 3.840 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 991 -2.969 3.694 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.121 5.759 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.585 6.047 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -3.690 5.997 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -1.757 3.561 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -3.302 3.654 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -2.958 2.259 -0.220 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.430 5.116 -2.339 1.00 0.00 N ATOM 1212 CA ASN A 992 -8.250 5.932 -3.218 1.00 0.00 C ATOM 1213 C ASN A 992 -8.903 7.052 -2.405 1.00 0.00 C ATOM 1214 O ASN A 992 -8.733 8.230 -2.716 1.00 0.00 O ATOM 1215 CB ASN A 992 -9.363 5.103 -3.860 1.00 0.00 C ATOM 1216 CG ASN A 992 -10.278 5.982 -4.715 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -11.075 6.762 -4.218 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -10.120 5.815 -6.025 1.00 0.00 N ATOM 0 H ASN A 992 -7.493 4.112 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 992 -7.607 6.337 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.927 4.318 -4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.948 4.610 -3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -10.684 6.357 -6.680 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -9.435 5.145 -6.375 1.00 0.00 H new ATOM 1225 N SER A 993 -9.636 6.645 -1.379 1.00 0.00 N ATOM 1226 CA SER A 993 -10.315 7.599 -0.519 1.00 0.00 C ATOM 1227 C SER A 993 -9.355 8.723 -0.124 1.00 0.00 C ATOM 1228 O SER A 993 -9.505 9.859 -0.572 1.00 0.00 O ATOM 1229 CB SER A 993 -10.874 6.914 0.730 1.00 0.00 C ATOM 1230 OG SER A 993 -12.287 7.066 0.835 1.00 0.00 O ATOM 0 H SER A 993 -9.774 5.667 -1.124 1.00 0.00 H new ATOM 0 HA SER A 993 -11.152 8.023 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 993 -10.624 5.853 0.704 1.00 0.00 H new ATOM 0 HB3 SER A 993 -10.398 7.332 1.617 1.00 0.00 H new ATOM 0 HG SER A 993 -12.605 6.614 1.644 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.390 8.367 0.712 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.406 9.332 1.172 1.00 0.00 C ATOM 1238 C ASP A 994 -6.874 10.123 -0.024 1.00 0.00 C ATOM 1239 O ASP A 994 -6.799 11.350 0.022 1.00 0.00 O ATOM 1240 CB ASP A 994 -6.221 8.633 1.841 1.00 0.00 C ATOM 1241 CG ASP A 994 -6.555 7.886 3.134 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -6.896 8.578 4.117 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -6.463 6.639 3.109 1.00 0.00 O ATOM 0 H ASP A 994 -8.269 7.424 1.082 1.00 0.00 H new ATOM 0 HA ASP A 994 -7.891 9.990 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -5.789 7.926 1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.455 9.377 2.057 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.520 9.388 -1.069 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.997 10.006 -2.276 1.00 0.00 C ATOM 1250 C LEU A 995 -6.915 11.158 -2.692 1.00 0.00 C ATOM 1251 O LEU A 995 -6.492 12.312 -2.723 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.794 8.956 -3.370 1.00 0.00 C ATOM 1253 CG LEU A 995 -4.341 8.604 -3.699 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -3.785 9.532 -4.781 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -3.476 8.610 -2.438 1.00 0.00 C ATOM 0 H LEU A 995 -6.585 8.371 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 995 -5.012 10.434 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -6.310 8.043 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -6.277 9.311 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 995 -4.317 7.591 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -2.751 9.261 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -4.383 9.433 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.824 10.564 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -2.449 8.357 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -3.501 9.601 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -3.861 7.877 -1.729 1.00 0.00 H new ATOM 1267 N ALA A 996 -8.153 10.804 -3.000 1.00 0.00 N ATOM 1268 CA ALA A 996 -9.134 11.793 -3.413 1.00 0.00 C ATOM 1269 C ALA A 996 -8.932 13.075 -2.602 1.00 0.00 C ATOM 1270 O ALA A 996 -8.811 14.160 -3.168 1.00 0.00 O ATOM 1271 CB ALA A 996 -10.542 11.216 -3.251 1.00 0.00 C ATOM 0 H ALA A 996 -8.500 9.845 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 996 -9.005 12.045 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -11.277 11.958 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -10.643 10.325 -3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.710 10.953 -2.206 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.901 12.906 -1.288 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.715 14.036 -0.393 1.00 0.00 C ATOM 1279 C GLU A 997 -7.372 14.715 -0.667 1.00 0.00 C ATOM 1280 O GLU A 997 -7.302 15.937 -0.784 1.00 0.00 O ATOM 1281 CB GLU A 997 -8.821 13.599 1.070 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.010 14.807 1.990 1.00 0.00 C ATOM 1283 CD GLU A 997 -10.428 15.370 1.872 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.298 14.875 2.620 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -10.609 16.282 1.038 1.00 0.00 O ATOM 0 H GLU A 997 -9.001 12.004 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.509 14.758 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.659 12.912 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -7.921 13.056 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -8.815 14.516 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -8.285 15.580 1.734 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.337 13.892 -0.759 1.00 0.00 N ATOM 1293 CA LEU A 998 -4.999 14.398 -1.017 1.00 0.00 C ATOM 1294 C LEU A 998 -4.994 15.160 -2.344 1.00 0.00 C ATOM 1295 O LEU A 998 -4.367 16.212 -2.456 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.976 13.262 -0.956 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.610 13.621 -0.369 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -2.360 12.869 0.940 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -1.495 13.381 -1.389 1.00 0.00 C ATOM 0 H LEU A 998 -6.398 12.879 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.703 15.105 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.400 12.449 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.826 12.880 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.609 14.685 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -1.382 13.143 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -3.131 13.132 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -2.389 11.795 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.534 13.644 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -1.486 12.330 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -1.669 13.998 -2.271 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.700 14.599 -3.315 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.784 15.213 -4.629 1.00 0.00 C ATOM 1313 C ILE A 999 -6.510 16.555 -4.515 1.00 0.00 C ATOM 1314 O ILE A 999 -5.891 17.611 -4.634 1.00 0.00 O ATOM 1315 CB ILE A 999 -6.425 14.250 -5.630 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.706 12.900 -5.630 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.482 14.870 -7.028 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -4.444 12.951 -6.495 1.00 0.00 C ATOM 0 H ILE A 999 -6.219 13.726 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.787 15.422 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 999 -7.453 14.067 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -5.441 12.625 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -6.377 12.127 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.942 14.165 -7.720 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -7.073 15.785 -6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.472 15.102 -7.365 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.952 11.979 -6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -4.716 13.202 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.765 13.708 -6.104 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.812 16.470 -4.286 1.00 0.00 N ATOM 1331 CA ASN A1000 -8.628 17.664 -4.154 1.00 0.00 C ATOM 1332 C ASN A1000 -7.882 18.696 -3.305 1.00 0.00 C ATOM 1333 O ASN A1000 -7.969 19.896 -3.562 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.955 17.351 -3.460 1.00 0.00 C ATOM 1335 CG ASN A1000 -11.106 18.133 -4.097 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.976 19.288 -4.466 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -12.236 17.440 -4.205 1.00 0.00 N ATOM 0 H ASN A1000 -8.322 15.592 -4.188 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.826 18.048 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -10.159 16.282 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.883 17.600 -2.401 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -13.062 17.873 -4.617 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -12.276 16.476 -3.876 1.00 0.00 H new ATOM 1344 N LYS A1001 -7.167 18.191 -2.311 1.00 0.00 N ATOM 1345 CA LYS A1001 -6.406 19.054 -1.423 1.00 0.00 C ATOM 1346 C LYS A1001 -5.376 19.837 -2.239 1.00 0.00 C ATOM 1347 O LYS A1001 -5.332 21.065 -2.176 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.796 18.241 -0.280 1.00 0.00 C ATOM 1349 CG LYS A1001 -6.752 18.167 0.912 1.00 0.00 C ATOM 1350 CD LYS A1001 -6.065 18.633 2.197 1.00 0.00 C ATOM 1351 CE LYS A1001 -5.756 17.448 3.114 1.00 0.00 C ATOM 1352 NZ LYS A1001 -6.889 17.194 4.032 1.00 0.00 N ATOM 0 H LYS A1001 -7.098 17.195 -2.101 1.00 0.00 H new ATOM 0 HA LYS A1001 -7.060 19.786 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -5.565 17.234 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.855 18.694 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -7.628 18.786 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -7.106 17.144 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -5.142 19.157 1.950 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -6.706 19.344 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -5.559 16.559 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -4.853 17.651 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -6.663 16.387 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -7.059 18.038 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -7.743 16.979 3.478 1.00 0.00 H new ATOM 1366 N MET A1002 -4.571 19.095 -2.986 1.00 0.00 N ATOM 1367 CA MET A1002 -3.544 19.704 -3.813 1.00 0.00 C ATOM 1368 C MET A1002 -4.155 20.705 -4.797 1.00 0.00 C ATOM 1369 O MET A1002 -3.457 21.576 -5.314 1.00 0.00 O ATOM 1370 CB MET A1002 -2.800 18.615 -4.589 1.00 0.00 C ATOM 1371 CG MET A1002 -3.634 18.117 -5.770 1.00 0.00 C ATOM 1372 SD MET A1002 -2.660 18.157 -7.266 1.00 0.00 S ATOM 1373 CE MET A1002 -3.688 19.210 -8.276 1.00 0.00 C ATOM 0 H MET A1002 -4.610 18.077 -3.035 1.00 0.00 H new ATOM 0 HA MET A1002 -2.850 20.238 -3.163 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.849 19.006 -4.950 1.00 0.00 H new ATOM 0 HB3 MET A1002 -2.570 17.782 -3.924 1.00 0.00 H new ATOM 0 HG2 MET A1002 -3.980 17.101 -5.579 1.00 0.00 H new ATOM 0 HG3 MET A1002 -4.521 18.739 -5.887 1.00 0.00 H new ATOM 0 HE1 MET A1002 -3.281 19.256 -9.286 1.00 0.00 H new ATOM 0 HE2 MET A1002 -4.700 18.806 -8.311 1.00 0.00 H new ATOM 0 HE3 MET A1002 -3.712 20.213 -7.849 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.450 20.547 -5.025 1.00 0.00 N ATOM 1384 CA LYS A1003 -6.162 21.425 -5.937 1.00 0.00 C ATOM 1385 C LYS A1003 -6.437 22.760 -5.242 1.00 0.00 C ATOM 1386 O LYS A1003 -6.517 23.800 -5.895 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.422 20.738 -6.469 1.00 0.00 C ATOM 1388 CG LYS A1003 -7.178 20.148 -7.859 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.498 19.929 -8.601 1.00 0.00 C ATOM 1390 CE LYS A1003 -9.145 21.264 -8.975 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.767 21.181 -10.316 1.00 0.00 N ATOM 0 H LYS A1003 -6.025 19.823 -4.594 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.550 21.641 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.727 19.948 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -8.241 21.456 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.540 20.818 -8.435 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.646 19.201 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.320 19.342 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -9.180 19.353 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -9.899 21.530 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -8.394 22.054 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -10.201 22.095 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -9.040 20.949 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -10.497 20.441 -10.315 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.574 22.689 -3.926 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.838 23.879 -3.135 1.00 0.00 C ATOM 1407 C LEU A1004 -5.510 24.509 -2.712 1.00 0.00 C ATOM 1408 O LEU A1004 -5.300 25.707 -2.899 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.764 23.548 -1.963 1.00 0.00 C ATOM 1410 CG LEU A1004 -9.011 22.729 -2.303 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.747 22.298 -1.033 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.925 23.494 -3.263 1.00 0.00 C ATOM 0 H LEU A1004 -6.507 21.825 -3.387 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.369 24.623 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -7.189 23.003 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -8.082 24.483 -1.502 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.694 21.821 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -10.629 21.718 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -9.085 21.688 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -10.052 23.181 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.804 22.889 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.238 24.430 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.386 23.708 -4.186 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.649 23.675 -2.148 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.347 24.136 -1.696 1.00 0.00 C ATOM 1426 C ALA A1005 -2.701 24.982 -2.795 1.00 0.00 C ATOM 1427 O ALA A1005 -1.989 25.943 -2.506 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.487 22.933 -1.305 1.00 0.00 C ATOM 0 H ALA A1005 -4.827 22.683 -1.994 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.448 24.765 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.510 23.279 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.976 22.382 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -2.361 22.280 -2.168 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.972 24.595 -4.033 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.426 25.306 -5.176 1.00 0.00 C ATOM 1436 C GLN A1006 -2.843 26.777 -5.135 1.00 0.00 C ATOM 1437 O GLN A1006 -2.076 27.655 -5.526 1.00 0.00 O ATOM 1438 CB GLN A1006 -2.859 24.650 -6.488 1.00 0.00 C ATOM 1439 CG GLN A1006 -1.723 24.670 -7.513 1.00 0.00 C ATOM 1440 CD GLN A1006 -2.264 24.893 -8.927 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -3.238 24.291 -9.348 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -1.580 25.788 -9.633 1.00 0.00 N ATOM 0 H GLN A1006 -3.563 23.798 -4.269 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.338 25.255 -5.124 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -3.166 23.621 -6.300 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -3.726 25.173 -6.891 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.016 25.460 -7.262 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -1.176 23.728 -7.473 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -0.774 26.256 -9.219 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -1.862 26.007 -10.589 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.059 27.001 -4.658 1.00 0.00 N ATOM 1452 CA GLN A1007 -4.588 28.351 -4.561 1.00 0.00 C ATOM 1453 C GLN A1007 -4.479 28.862 -3.123 1.00 0.00 C ATOM 1454 O GLN A1007 -4.376 30.066 -2.894 1.00 0.00 O ATOM 1455 CB GLN A1007 -6.035 28.410 -5.056 1.00 0.00 C ATOM 1456 CG GLN A1007 -6.400 29.824 -5.513 1.00 0.00 C ATOM 1457 CD GLN A1007 -7.913 30.046 -5.450 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -8.646 29.768 -6.385 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -8.337 30.561 -4.300 1.00 0.00 N ATOM 0 H GLN A1007 -4.693 26.270 -4.335 1.00 0.00 H new ATOM 0 HA GLN A1007 -3.993 29.000 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.170 27.711 -5.881 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -6.709 28.096 -4.259 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -5.895 30.556 -4.883 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -6.047 29.983 -6.532 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -7.669 30.770 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -9.330 30.747 -4.160 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.507 27.920 -2.191 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.412 28.259 -0.781 1.00 0.00 C ATOM 1470 C TYR A1008 -2.952 28.329 -0.330 1.00 0.00 C ATOM 1471 O TYR A1008 -2.650 28.118 0.843 1.00 0.00 O ATOM 1472 CB TYR A1008 -5.113 27.127 -0.027 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.602 27.374 0.222 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.007 28.083 1.335 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -7.540 26.887 -0.665 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.409 28.316 1.569 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.942 27.119 -0.431 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.307 27.822 0.675 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.631 28.041 0.897 1.00 0.00 O ATOM 0 H TYR A1008 -4.594 26.922 -2.385 1.00 0.00 H new ATOM 0 HA TYR A1008 -4.864 29.232 -0.589 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.998 26.202 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.615 26.979 0.931 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -6.273 28.463 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -7.223 26.332 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -8.740 28.870 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -9.686 26.744 -1.118 1.00 0.00 H new ATOM 0 HH TYR A1008 -11.155 27.632 0.177 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.084 28.626 -1.287 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.663 28.726 -1.003 1.00 0.00 C ATOM 1491 C VAL A1009 -0.211 30.176 -1.187 1.00 0.00 C ATOM 1492 O VAL A1009 0.460 30.736 -0.322 1.00 0.00 O ATOM 1493 CB VAL A1009 0.116 27.742 -1.878 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.233 27.927 -3.356 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.623 27.878 -1.649 1.00 0.00 C ATOM 0 H VAL A1009 -2.338 28.800 -2.259 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.460 28.451 0.032 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.177 26.733 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A1009 0.334 27.215 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.299 27.756 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A1009 0.017 28.942 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A1009 2.153 27.167 -2.283 1.00 0.00 H new ATOM 0 HG22 VAL A1009 1.939 28.891 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.852 27.672 -0.603 1.00 0.00 H new ATOM 1505 N MET A1010 -0.598 30.743 -2.320 1.00 0.00 N ATOM 1506 CA MET A1010 -0.241 32.118 -2.629 1.00 0.00 C ATOM 1507 C MET A1010 -0.829 33.082 -1.597 1.00 0.00 C ATOM 1508 O MET A1010 -0.167 34.031 -1.180 1.00 0.00 O ATOM 1509 CB MET A1010 -0.762 32.480 -4.021 1.00 0.00 C ATOM 1510 CG MET A1010 -2.216 32.035 -4.196 1.00 0.00 C ATOM 1511 SD MET A1010 -3.266 33.460 -4.426 1.00 0.00 S ATOM 1512 CE MET A1010 -4.518 33.123 -3.199 1.00 0.00 C ATOM 0 H MET A1010 -1.155 30.276 -3.035 1.00 0.00 H new ATOM 0 HA MET A1010 0.845 32.206 -2.604 1.00 0.00 H new ATOM 0 HB2 MET A1010 -0.687 33.557 -4.172 1.00 0.00 H new ATOM 0 HB3 MET A1010 -0.139 32.007 -4.780 1.00 0.00 H new ATOM 0 HG2 MET A1010 -2.300 31.368 -5.054 1.00 0.00 H new ATOM 0 HG3 MET A1010 -2.540 31.471 -3.321 1.00 0.00 H new ATOM 0 HE1 MET A1010 -5.449 32.849 -3.695 1.00 0.00 H new ATOM 0 HE2 MET A1010 -4.191 32.302 -2.561 1.00 0.00 H new ATOM 0 HE3 MET A1010 -4.680 34.013 -2.590 1.00 0.00 H new ATOM 1522 N THR A1011 -2.068 32.806 -1.214 1.00 0.00 N ATOM 1523 CA THR A1011 -2.752 33.637 -0.239 1.00 0.00 C ATOM 1524 C THR A1011 -1.874 33.843 0.996 1.00 0.00 C ATOM 1525 O THR A1011 -1.500 34.971 1.315 1.00 0.00 O ATOM 1526 CB THR A1011 -4.100 32.984 0.076 1.00 0.00 C ATOM 1527 OG1 THR A1011 -4.300 33.252 1.461 1.00 0.00 O ATOM 1528 CG2 THR A1011 -4.043 31.457 -0.003 1.00 0.00 C ATOM 0 H THR A1011 -2.615 32.018 -1.562 1.00 0.00 H new ATOM 0 HA THR A1011 -2.942 34.635 -0.634 1.00 0.00 H new ATOM 0 HB THR A1011 -4.854 33.356 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A1011 -5.153 32.865 1.749 1.00 0.00 H new ATOM 0 HG21 THR A1011 -5.025 31.044 0.229 1.00 0.00 H new ATOM 0 HG22 THR A1011 -3.751 31.155 -1.009 1.00 0.00 H new ATOM 0 HG23 THR A1011 -3.313 31.083 0.715 1.00 0.00 H new ATOM 1536 N SER A1012 -1.570 32.737 1.659 1.00 0.00 N ATOM 1537 CA SER A1012 -0.742 32.782 2.852 1.00 0.00 C ATOM 1538 C SER A1012 -0.929 31.501 3.667 1.00 0.00 C ATOM 1539 O SER A1012 -0.033 31.096 4.407 1.00 0.00 O ATOM 1540 CB SER A1012 -1.074 34.007 3.706 1.00 0.00 C ATOM 1541 OG SER A1012 -0.054 35.000 3.635 1.00 0.00 O ATOM 0 H SER A1012 -1.883 31.803 1.392 1.00 0.00 H new ATOM 0 HA SER A1012 0.300 32.859 2.543 1.00 0.00 H new ATOM 0 HB2 SER A1012 -2.020 34.435 3.374 1.00 0.00 H new ATOM 0 HB3 SER A1012 -1.209 33.700 4.743 1.00 0.00 H new ATOM 0 HG SER A1012 -0.107 35.463 2.773 1.00 0.00 H new ATOM 1547 N LEU A1013 -2.097 30.898 3.504 1.00 0.00 N ATOM 1548 CA LEU A1013 -2.412 29.671 4.215 1.00 0.00 C ATOM 1549 C LEU A1013 -1.721 28.494 3.524 1.00 0.00 C ATOM 1550 O LEU A1013 -2.367 27.507 3.176 1.00 0.00 O ATOM 1551 CB LEU A1013 -3.927 29.502 4.348 1.00 0.00 C ATOM 1552 CG LEU A1013 -4.752 30.790 4.303 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -6.212 30.519 4.670 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -4.129 31.871 5.189 1.00 0.00 C ATOM 0 H LEU A1013 -2.837 31.237 2.889 1.00 0.00 H new ATOM 0 HA LEU A1013 -2.028 29.713 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.271 28.846 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.135 28.994 5.290 1.00 0.00 H new ATOM 0 HG LEU A1013 -4.742 31.167 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -6.776 31.451 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -6.638 29.806 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -6.263 30.106 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -4.735 32.776 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -4.088 31.518 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -3.120 32.090 4.840 1.00 0.00 H new ATOM 1566 N GLN A1014 -0.415 28.638 3.346 1.00 0.00 N ATOM 1567 CA GLN A1014 0.371 27.599 2.703 1.00 0.00 C ATOM 1568 C GLN A1014 0.784 26.537 3.725 1.00 0.00 C ATOM 1569 O GLN A1014 0.216 25.446 3.755 1.00 0.00 O ATOM 1570 CB GLN A1014 1.595 28.192 2.003 1.00 0.00 C ATOM 1571 CG GLN A1014 2.500 27.088 1.453 1.00 0.00 C ATOM 1572 CD GLN A1014 3.821 27.666 0.940 1.00 0.00 C ATOM 1573 OE1 GLN A1014 4.039 27.823 -0.250 1.00 0.00 O ATOM 1574 NE2 GLN A1014 4.687 27.974 1.902 1.00 0.00 N ATOM 0 H GLN A1014 0.118 29.458 3.636 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.246 27.122 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.274 28.843 1.190 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.155 28.811 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.699 26.354 2.233 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.990 26.564 0.645 1.00 0.00 H new ATOM 0 HE21 GLN A1014 4.441 27.817 2.879 1.00 0.00 H new ATOM 0 HE22 GLN A1014 5.597 28.367 1.662 1.00 0.00 H new ATOM 1583 N GLN A1015 1.769 26.893 4.536 1.00 0.00 N ATOM 1584 CA GLN A1015 2.265 25.984 5.555 1.00 0.00 C ATOM 1585 C GLN A1015 1.097 25.327 6.293 1.00 0.00 C ATOM 1586 O GLN A1015 1.238 24.232 6.837 1.00 0.00 O ATOM 1587 CB GLN A1015 3.192 26.710 6.533 1.00 0.00 C ATOM 1588 CG GLN A1015 2.688 28.126 6.817 1.00 0.00 C ATOM 1589 CD GLN A1015 2.788 28.455 8.308 1.00 0.00 C ATOM 1590 OE1 GLN A1015 3.201 27.645 9.122 1.00 0.00 O ATOM 1591 NE2 GLN A1015 2.387 29.684 8.619 1.00 0.00 N ATOM 0 H GLN A1015 2.237 27.799 4.508 1.00 0.00 H new ATOM 0 HA GLN A1015 2.847 25.203 5.066 1.00 0.00 H new ATOM 0 HB2 GLN A1015 3.255 26.149 7.465 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.200 26.755 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A1015 3.271 28.845 6.242 1.00 0.00 H new ATOM 0 HG3 GLN A1015 1.653 28.220 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A1015 2.052 30.312 7.888 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.414 29.999 9.589 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.031 26.022 6.289 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.223 25.519 6.951 1.00 0.00 C ATOM 1602 C GLU A1016 -1.794 24.326 6.182 1.00 0.00 C ATOM 1603 O GLU A1016 -1.929 23.235 6.735 1.00 0.00 O ATOM 1604 CB GLU A1016 -2.271 26.623 7.106 1.00 0.00 C ATOM 1605 CG GLU A1016 -3.501 26.110 7.857 1.00 0.00 C ATOM 1606 CD GLU A1016 -4.765 26.844 7.406 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -4.726 28.093 7.402 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -5.743 26.139 7.074 1.00 0.00 O ATOM 0 H GLU A1016 -0.145 26.930 5.838 1.00 0.00 H new ATOM 0 HA GLU A1016 -0.946 25.183 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -1.838 27.467 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -2.567 26.989 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -3.617 25.040 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.360 26.247 8.929 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.113 24.573 4.920 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.665 23.532 4.071 1.00 0.00 C ATOM 1617 C TYR A1017 -1.646 22.415 3.838 1.00 0.00 C ATOM 1618 O TYR A1017 -2.019 21.275 3.567 1.00 0.00 O ATOM 1619 CB TYR A1017 -2.983 24.203 2.733 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.438 24.655 2.593 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -4.895 25.742 3.310 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.293 23.976 1.750 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.264 26.167 3.179 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.663 24.401 1.618 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.080 25.476 2.339 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.374 25.877 2.215 1.00 0.00 O ATOM 0 H TYR A1017 -2.000 25.479 4.465 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.545 23.086 4.535 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.331 25.068 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.750 23.509 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.225 26.274 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.935 23.125 1.189 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -6.635 27.015 3.735 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.343 23.878 0.962 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.470 26.427 1.410 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.378 22.782 3.952 1.00 0.00 N ATOM 1637 CA LYS A1018 0.699 21.825 3.757 1.00 0.00 C ATOM 1638 C LYS A1018 0.672 20.797 4.890 1.00 0.00 C ATOM 1639 O LYS A1018 0.995 19.629 4.680 1.00 0.00 O ATOM 1640 CB LYS A1018 2.039 22.549 3.614 1.00 0.00 C ATOM 1641 CG LYS A1018 2.460 22.638 2.146 1.00 0.00 C ATOM 1642 CD LYS A1018 1.486 23.508 1.349 1.00 0.00 C ATOM 1643 CE LYS A1018 2.133 24.015 0.058 1.00 0.00 C ATOM 1644 NZ LYS A1018 1.108 24.575 -0.851 1.00 0.00 N ATOM 0 H LYS A1018 -0.072 23.729 4.177 1.00 0.00 H new ATOM 0 HA LYS A1018 0.559 21.277 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.962 23.551 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.804 22.022 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A1018 3.465 23.054 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A1018 2.498 21.638 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A1018 0.591 22.933 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A1018 1.168 24.355 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A1018 2.876 24.778 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A1018 2.659 23.199 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 1.564 25.204 -1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 0.627 23.800 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 0.412 25.115 -0.298 1.00 0.00 H new ATOM 1658 N LYS A1019 0.286 21.270 6.066 1.00 0.00 N ATOM 1659 CA LYS A1019 0.213 20.406 7.232 1.00 0.00 C ATOM 1660 C LYS A1019 -0.983 19.462 7.090 1.00 0.00 C ATOM 1661 O LYS A1019 -0.939 18.324 7.554 1.00 0.00 O ATOM 1662 CB LYS A1019 0.189 21.239 8.515 1.00 0.00 C ATOM 1663 CG LYS A1019 1.572 21.820 8.818 1.00 0.00 C ATOM 1664 CD LYS A1019 2.615 20.709 8.959 1.00 0.00 C ATOM 1665 CE LYS A1019 3.624 20.755 7.810 1.00 0.00 C ATOM 1666 NZ LYS A1019 5.007 20.689 8.332 1.00 0.00 N ATOM 0 H LYS A1019 0.021 22.240 6.236 1.00 0.00 H new ATOM 0 HA LYS A1019 1.105 19.783 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.535 22.048 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -0.140 20.619 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.867 22.501 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.531 22.404 9.737 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.137 20.814 9.910 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.118 19.739 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.446 19.923 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.489 21.672 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 5.679 20.721 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.178 21.497 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.137 19.802 8.860 1.00 0.00 H new ATOM 1680 N GLN A1020 -2.023 19.970 6.445 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.229 19.187 6.236 1.00 0.00 C ATOM 1682 C GLN A1020 -2.895 17.883 5.509 1.00 0.00 C ATOM 1683 O GLN A1020 -2.988 16.803 6.089 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.278 19.991 5.465 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.702 21.234 6.251 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.518 20.848 7.486 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -5.740 19.684 7.778 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -5.952 21.887 8.194 1.00 0.00 N ATOM 0 H GLN A1020 -2.055 20.914 6.060 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.652 18.940 7.210 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.874 20.288 4.497 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -5.149 19.366 5.269 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.819 21.796 6.555 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.292 21.890 5.611 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -5.731 22.837 7.894 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -6.506 21.734 9.037 1.00 0.00 H new ATOM 1697 N MET A1021 -2.512 18.027 4.248 1.00 0.00 N ATOM 1698 CA MET A1021 -2.163 16.873 3.436 1.00 0.00 C ATOM 1699 C MET A1021 -1.124 16.000 4.141 1.00 0.00 C ATOM 1700 O MET A1021 -1.106 14.783 3.963 1.00 0.00 O ATOM 1701 CB MET A1021 -1.606 17.345 2.092 1.00 0.00 C ATOM 1702 CG MET A1021 -0.268 18.065 2.275 1.00 0.00 C ATOM 1703 SD MET A1021 1.068 16.882 2.270 1.00 0.00 S ATOM 1704 CE MET A1021 0.917 16.251 0.607 1.00 0.00 C ATOM 0 H MET A1021 -2.436 18.924 3.769 1.00 0.00 H new ATOM 0 HA MET A1021 -3.062 16.278 3.278 1.00 0.00 H new ATOM 0 HB2 MET A1021 -1.475 16.490 1.428 1.00 0.00 H new ATOM 0 HB3 MET A1021 -2.321 18.014 1.613 1.00 0.00 H new ATOM 0 HG2 MET A1021 -0.124 18.791 1.475 1.00 0.00 H new ATOM 0 HG3 MET A1021 -0.270 18.620 3.213 1.00 0.00 H new ATOM 0 HE1 MET A1021 0.657 15.193 0.641 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.137 16.799 0.079 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.865 16.375 0.083 1.00 0.00 H new ATOM 1714 N LEU A1022 -0.283 16.655 4.928 1.00 0.00 N ATOM 1715 CA LEU A1022 0.757 15.953 5.661 1.00 0.00 C ATOM 1716 C LEU A1022 0.112 14.951 6.620 1.00 0.00 C ATOM 1717 O LEU A1022 0.372 13.751 6.537 1.00 0.00 O ATOM 1718 CB LEU A1022 1.692 16.949 6.351 1.00 0.00 C ATOM 1719 CG LEU A1022 2.820 16.342 7.188 1.00 0.00 C ATOM 1720 CD1 LEU A1022 2.259 15.551 8.371 1.00 0.00 C ATOM 1721 CD2 LEU A1022 3.750 15.492 6.319 1.00 0.00 C ATOM 0 H LEU A1022 -0.301 17.664 5.074 1.00 0.00 H new ATOM 0 HA LEU A1022 1.385 15.382 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A1022 2.136 17.588 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.093 17.592 6.996 1.00 0.00 H new ATOM 0 HG LEU A1022 3.418 17.156 7.599 1.00 0.00 H new ATOM 0 HD11 LEU A1022 3.081 15.130 8.950 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.671 16.214 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.625 14.745 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.543 15.072 6.938 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.181 14.683 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.189 16.114 5.539 1.00 0.00 H new ATOM 1733 N THR A1023 -0.718 15.479 7.508 1.00 0.00 N ATOM 1734 CA THR A1023 -1.403 14.646 8.481 1.00 0.00 C ATOM 1735 C THR A1023 -1.862 13.338 7.834 1.00 0.00 C ATOM 1736 O THR A1023 -1.640 12.259 8.381 1.00 0.00 O ATOM 1737 CB THR A1023 -2.549 15.463 9.080 1.00 0.00 C ATOM 1738 OG1 THR A1023 -2.020 16.782 9.180 1.00 0.00 O ATOM 1739 CG2 THR A1023 -2.853 15.072 10.527 1.00 0.00 C ATOM 0 H THR A1023 -0.931 16.474 7.574 1.00 0.00 H new ATOM 0 HA THR A1023 -0.735 14.354 9.292 1.00 0.00 H new ATOM 0 HB THR A1023 -3.445 15.331 8.473 1.00 0.00 H new ATOM 0 HG1 THR A1023 -2.258 17.292 8.378 1.00 0.00 H new ATOM 0 HG21 THR A1023 -3.674 15.682 10.904 1.00 0.00 H new ATOM 0 HG22 THR A1023 -3.134 14.020 10.568 1.00 0.00 H new ATOM 0 HG23 THR A1023 -1.968 15.235 11.142 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.494 13.477 6.678 1.00 0.00 N ATOM 1748 CA ALA A1024 -2.986 12.319 5.950 1.00 0.00 C ATOM 1749 C ALA A1024 -1.803 11.445 5.531 1.00 0.00 C ATOM 1750 O ALA A1024 -1.819 10.232 5.736 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.820 12.784 4.755 1.00 0.00 C ATOM 0 H ALA A1024 -2.677 14.374 6.227 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.634 11.714 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -4.189 11.916 4.209 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.664 13.376 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -3.202 13.392 4.095 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.804 12.094 4.950 1.00 0.00 N ATOM 1758 CA ALA A1025 0.385 11.391 4.500 1.00 0.00 C ATOM 1759 C ALA A1025 0.906 10.503 5.632 1.00 0.00 C ATOM 1760 O ALA A1025 1.558 9.491 5.381 1.00 0.00 O ATOM 1761 CB ALA A1025 1.428 12.404 4.025 1.00 0.00 C ATOM 0 H ALA A1025 -0.794 13.100 4.781 1.00 0.00 H new ATOM 0 HA ALA A1025 0.152 10.744 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.320 11.877 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.019 12.989 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.690 13.070 4.847 1.00 0.00 H new ATOM 1767 N HIS A1026 0.600 10.915 6.853 1.00 0.00 N ATOM 1768 CA HIS A1026 1.029 10.170 8.024 1.00 0.00 C ATOM 1769 C HIS A1026 0.265 8.847 8.099 1.00 0.00 C ATOM 1770 O HIS A1026 0.869 7.775 8.077 1.00 0.00 O ATOM 1771 CB HIS A1026 0.878 11.015 9.291 1.00 0.00 C ATOM 1772 CG HIS A1026 2.122 11.071 10.144 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.227 11.875 11.265 1.00 0.00 N ATOM 1774 CD2 HIS A1026 3.312 10.414 10.029 1.00 0.00 C ATOM 1775 CE1 HIS A1026 3.430 11.703 11.793 1.00 0.00 C ATOM 1776 NE2 HIS A1026 4.102 10.798 11.024 1.00 0.00 N ATOM 0 H HIS A1026 0.060 11.756 7.057 1.00 0.00 H new ATOM 0 HA HIS A1026 2.089 9.933 7.940 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.598 12.030 9.007 1.00 0.00 H new ATOM 0 HB3 HIS A1026 0.059 10.614 9.887 1.00 0.00 H new ATOM 0 HD2 HIS A1026 3.568 9.702 9.259 1.00 0.00 H new ATOM 0 HE1 HIS A1026 3.812 12.193 12.677 1.00 0.00 H new ATOM 0 HE2 HIS A1026 5.054 10.471 11.187 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.051 8.964 8.185 1.00 0.00 N ATOM 1785 CA ALA A1027 -1.904 7.791 8.263 1.00 0.00 C ATOM 1786 C ALA A1027 -1.823 7.018 6.945 1.00 0.00 C ATOM 1787 O ALA A1027 -1.865 5.789 6.938 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.334 8.219 8.601 1.00 0.00 C ATOM 0 H ALA A1027 -1.548 9.854 8.202 1.00 0.00 H new ATOM 0 HA ALA A1027 -1.567 7.125 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -3.973 7.338 8.659 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.342 8.737 9.560 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -3.707 8.887 7.825 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.709 7.771 5.861 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.621 7.172 4.540 1.00 0.00 C ATOM 1796 C LEU A1028 -0.403 6.248 4.483 1.00 0.00 C ATOM 1797 O LEU A1028 -0.542 5.045 4.265 1.00 0.00 O ATOM 1798 CB LEU A1028 -1.622 8.256 3.460 1.00 0.00 C ATOM 1799 CG LEU A1028 -2.997 8.734 2.990 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -3.471 7.933 1.775 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -4.012 8.693 4.134 1.00 0.00 C ATOM 0 H LEU A1028 -1.676 8.790 5.870 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.498 6.556 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -1.070 9.117 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -1.075 7.880 2.595 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.907 9.774 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -4.451 8.293 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -2.760 8.057 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -3.540 6.878 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -4.981 9.038 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -4.104 7.671 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.675 9.341 4.943 1.00 0.00 H new ATOM 1813 N ALA A1029 0.762 6.845 4.683 1.00 0.00 N ATOM 1814 CA ALA A1029 2.004 6.090 4.657 1.00 0.00 C ATOM 1815 C ALA A1029 1.790 4.741 5.346 1.00 0.00 C ATOM 1816 O ALA A1029 2.238 3.709 4.850 1.00 0.00 O ATOM 1817 CB ALA A1029 3.115 6.911 5.315 1.00 0.00 C ATOM 0 H ALA A1029 0.873 7.843 4.864 1.00 0.00 H new ATOM 0 HA ALA A1029 2.311 5.891 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A1029 4.046 6.345 5.295 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.247 7.846 4.771 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.844 7.128 6.348 1.00 0.00 H new ATOM 1823 N VAL A1030 1.104 4.793 6.479 1.00 0.00 N ATOM 1824 CA VAL A1030 0.826 3.588 7.241 1.00 0.00 C ATOM 1825 C VAL A1030 -0.241 2.766 6.515 1.00 0.00 C ATOM 1826 O VAL A1030 -0.079 1.562 6.326 1.00 0.00 O ATOM 1827 CB VAL A1030 0.427 3.955 8.672 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -0.458 2.870 9.290 1.00 0.00 C ATOM 1829 CG2 VAL A1030 1.662 4.213 9.537 1.00 0.00 C ATOM 0 H VAL A1030 0.733 5.651 6.887 1.00 0.00 H new ATOM 0 HA VAL A1030 1.719 2.968 7.315 1.00 0.00 H new ATOM 0 HB VAL A1030 -0.152 4.877 8.632 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -0.727 3.156 10.307 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -1.363 2.755 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A1030 0.085 1.925 9.310 1.00 0.00 H new ATOM 0 HG21 VAL A1030 1.350 4.472 10.549 1.00 0.00 H new ATOM 0 HG22 VAL A1030 2.280 3.315 9.566 1.00 0.00 H new ATOM 0 HG23 VAL A1030 2.238 5.036 9.113 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.308 3.450 6.128 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.400 2.798 5.426 1.00 0.00 C ATOM 1841 C ASP A1031 -1.830 1.854 4.366 1.00 0.00 C ATOM 1842 O ASP A1031 -2.234 0.696 4.279 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.289 3.822 4.718 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.322 3.228 3.758 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -4.601 2.018 3.902 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -4.808 3.997 2.901 1.00 0.00 O ATOM 0 H ASP A1031 -1.439 4.449 6.287 1.00 0.00 H new ATOM 0 HA ASP A1031 -2.993 2.251 6.160 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -3.812 4.410 5.472 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -2.653 4.511 4.162 1.00 0.00 H new ATOM 1851 N ALA A1032 -0.898 2.385 3.587 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.268 1.604 2.537 1.00 0.00 C ATOM 1853 C ALA A1032 0.383 0.363 3.150 1.00 0.00 C ATOM 1854 O ALA A1032 0.232 -0.742 2.632 1.00 0.00 O ATOM 1855 CB ALA A1032 0.738 2.478 1.784 1.00 0.00 C ATOM 0 H ALA A1032 -0.565 3.346 3.663 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.010 1.264 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A1032 1.211 1.892 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.221 3.330 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A1032 1.500 2.836 2.477 1.00 0.00 H new ATOM 1861 N LYS A1033 1.094 0.587 4.246 1.00 0.00 N ATOM 1862 CA LYS A1033 1.768 -0.500 4.935 1.00 0.00 C ATOM 1863 C LYS A1033 0.728 -1.498 5.446 1.00 0.00 C ATOM 1864 O LYS A1033 0.953 -2.707 5.412 1.00 0.00 O ATOM 1865 CB LYS A1033 2.685 0.048 6.031 1.00 0.00 C ATOM 1866 CG LYS A1033 3.779 -0.960 6.386 1.00 0.00 C ATOM 1867 CD LYS A1033 5.169 -0.374 6.128 1.00 0.00 C ATOM 1868 CE LYS A1033 6.263 -1.387 6.472 1.00 0.00 C ATOM 1869 NZ LYS A1033 7.595 -0.744 6.431 1.00 0.00 N ATOM 0 H LYS A1033 1.218 1.505 4.673 1.00 0.00 H new ATOM 0 HA LYS A1033 2.418 -1.041 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A1033 3.140 0.981 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A1033 2.097 0.280 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A1033 3.689 -1.245 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.648 -1.867 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A1033 5.256 -0.081 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A1033 5.304 0.529 6.724 1.00 0.00 H new ATOM 0 HE2 LYS A1033 6.083 -1.803 7.464 1.00 0.00 H new ATOM 0 HE3 LYS A1033 6.232 -2.218 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 8.326 -1.445 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 7.770 -0.369 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 7.626 0.034 7.120 1.00 0.00 H new ATOM 1883 N ASN A1034 -0.390 -0.955 5.907 1.00 0.00 N ATOM 1884 CA ASN A1034 -1.466 -1.783 6.424 1.00 0.00 C ATOM 1885 C ASN A1034 -1.947 -2.732 5.325 1.00 0.00 C ATOM 1886 O ASN A1034 -2.293 -3.880 5.598 1.00 0.00 O ATOM 1887 CB ASN A1034 -2.656 -0.928 6.865 1.00 0.00 C ATOM 1888 CG ASN A1034 -3.481 -1.647 7.935 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -3.124 -2.706 8.423 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -4.601 -1.013 8.270 1.00 0.00 N ATOM 0 H ASN A1034 -0.573 0.048 5.933 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.083 -2.337 7.281 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -2.299 0.025 7.255 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -3.286 -0.704 6.004 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -5.221 -1.411 8.975 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -4.840 -0.129 7.822 1.00 0.00 H new ATOM 1897 N LEU A1035 -1.953 -2.217 4.104 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.386 -3.004 2.962 1.00 0.00 C ATOM 1899 C LEU A1035 -1.570 -4.296 2.899 1.00 0.00 C ATOM 1900 O LEU A1035 -2.123 -5.390 3.001 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.317 -2.171 1.680 1.00 0.00 C ATOM 1902 CG LEU A1035 -2.841 -2.847 0.412 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -3.527 -1.834 -0.507 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -1.724 -3.607 -0.306 1.00 0.00 C ATOM 0 H LEU A1035 -1.665 -1.264 3.881 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.432 -3.292 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -2.881 -1.251 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.279 -1.884 1.512 1.00 0.00 H new ATOM 0 HG LEU A1035 -3.594 -3.579 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -3.890 -2.341 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -4.366 -1.377 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -2.814 -1.061 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -2.123 -4.078 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -0.931 -2.912 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -1.321 -4.373 0.357 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.266 -4.128 2.733 1.00 0.00 N ATOM 1917 CA LEU A1036 0.632 -5.267 2.656 1.00 0.00 C ATOM 1918 C LEU A1036 0.581 -6.042 3.974 1.00 0.00 C ATOM 1919 O LEU A1036 0.596 -7.272 3.977 1.00 0.00 O ATOM 1920 CB LEU A1036 2.040 -4.814 2.263 1.00 0.00 C ATOM 1921 CG LEU A1036 2.765 -5.690 1.239 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.753 -5.038 -0.145 1.00 0.00 C ATOM 1923 CD2 LEU A1036 4.184 -6.019 1.705 1.00 0.00 C ATOM 0 H LEU A1036 0.190 -3.219 2.650 1.00 0.00 H new ATOM 0 HA LEU A1036 0.312 -5.952 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.977 -3.801 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.649 -4.764 3.165 1.00 0.00 H new ATOM 0 HG LEU A1036 2.227 -6.634 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A1036 3.275 -5.681 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.723 -4.898 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A1036 3.253 -4.071 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.677 -6.642 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.748 -5.095 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A1036 4.141 -6.554 2.654 1.00 0.00 H new ATOM 1935 N ASP A1037 0.521 -5.290 5.063 1.00 0.00 N ATOM 1936 CA ASP A1037 0.467 -5.890 6.385 1.00 0.00 C ATOM 1937 C ASP A1037 -0.556 -7.028 6.383 1.00 0.00 C ATOM 1938 O ASP A1037 -0.295 -8.103 6.921 1.00 0.00 O ATOM 1939 CB ASP A1037 0.033 -4.868 7.438 1.00 0.00 C ATOM 1940 CG ASP A1037 0.393 -5.232 8.880 1.00 0.00 C ATOM 1941 OD1 ASP A1037 1.547 -4.947 9.266 1.00 0.00 O ATOM 1942 OD2 ASP A1037 -0.495 -5.786 9.563 1.00 0.00 O ATOM 0 H ASP A1037 0.509 -4.270 5.057 1.00 0.00 H new ATOM 0 HA ASP A1037 1.464 -6.257 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.487 -3.906 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.047 -4.736 7.371 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.698 -6.753 5.770 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.761 -7.741 5.690 1.00 0.00 C ATOM 1949 C VAL A1038 -2.318 -8.887 4.778 1.00 0.00 C ATOM 1950 O VAL A1038 -2.716 -10.034 4.979 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.059 -7.076 5.227 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -5.108 -8.125 4.853 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -4.595 -6.120 6.294 1.00 0.00 C ATOM 0 H VAL A1038 -1.911 -5.861 5.324 1.00 0.00 H new ATOM 0 HA VAL A1038 -2.962 -8.167 6.673 1.00 0.00 H new ATOM 0 HB VAL A1038 -3.837 -6.491 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -6.021 -7.627 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.727 -8.749 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -5.325 -8.748 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -5.518 -5.660 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -4.794 -6.674 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -3.856 -5.344 6.491 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.501 -8.538 3.796 1.00 0.00 N ATOM 1964 CA ILE A1039 -1.000 -9.524 2.853 1.00 0.00 C ATOM 1965 C ILE A1039 0.005 -10.435 3.560 1.00 0.00 C ATOM 1966 O ILE A1039 0.018 -11.644 3.334 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.436 -8.836 1.608 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.551 -8.501 0.615 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.667 -9.680 0.968 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.029 -7.609 -0.514 1.00 0.00 C ATOM 0 H ILE A1039 -1.173 -7.586 3.632 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.812 -10.159 2.498 1.00 0.00 H new ATOM 0 HB ILE A1039 0.017 -7.893 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.960 -9.421 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.366 -7.997 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.051 -9.168 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.476 -9.825 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.261 -10.649 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.841 -7.385 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.643 -6.680 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.230 -8.126 -1.046 1.00 0.00 H new ATOM 1982 N ASP A1040 0.822 -9.821 4.402 1.00 0.00 N ATOM 1983 CA ASP A1040 1.828 -10.562 5.144 1.00 0.00 C ATOM 1984 C ASP A1040 1.157 -11.714 5.895 1.00 0.00 C ATOM 1985 O ASP A1040 1.645 -12.842 5.872 1.00 0.00 O ATOM 1986 CB ASP A1040 2.523 -9.668 6.173 1.00 0.00 C ATOM 1987 CG ASP A1040 3.991 -10.009 6.439 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.837 -9.517 5.661 1.00 0.00 O ATOM 1989 OD2 ASP A1040 4.233 -10.752 7.414 1.00 0.00 O ATOM 0 H ASP A1040 0.808 -8.818 4.587 1.00 0.00 H new ATOM 0 HA ASP A1040 2.565 -10.934 4.433 1.00 0.00 H new ATOM 0 HB2 ASP A1040 2.461 -8.634 5.834 1.00 0.00 H new ATOM 0 HB3 ASP A1040 1.975 -9.728 7.113 1.00 0.00 H new ATOM 1994 N GLN A1041 0.047 -11.389 6.542 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.696 -12.382 7.298 1.00 0.00 C ATOM 1996 C GLN A1041 -1.392 -13.360 6.349 1.00 0.00 C ATOM 1997 O GLN A1041 -1.711 -14.484 6.734 1.00 0.00 O ATOM 1998 CB GLN A1041 -1.706 -11.716 8.235 1.00 0.00 C ATOM 1999 CG GLN A1041 -2.855 -11.087 7.444 1.00 0.00 C ATOM 2000 CD GLN A1041 -4.170 -11.181 8.221 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -4.322 -10.640 9.303 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -5.109 -11.897 7.609 1.00 0.00 N ATOM 0 H GLN A1041 -0.355 -10.452 6.558 1.00 0.00 H new ATOM 0 HA GLN A1041 0.008 -12.942 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -2.101 -12.454 8.933 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -1.207 -10.951 8.829 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -2.627 -10.042 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -2.959 -11.591 6.483 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -4.916 -12.324 6.703 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -6.023 -12.020 8.046 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.605 -12.898 5.126 1.00 0.00 N ATOM 2012 CA ALA A1042 -2.257 -13.718 4.119 1.00 0.00 C ATOM 2013 C ALA A1042 -1.272 -14.772 3.610 1.00 0.00 C ATOM 2014 O ALA A1042 -1.613 -15.950 3.512 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.785 -12.823 2.995 1.00 0.00 C ATOM 0 H ALA A1042 -1.338 -11.966 4.809 1.00 0.00 H new ATOM 0 HA ALA A1042 -3.111 -14.243 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.274 -13.438 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.502 -12.111 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.955 -12.282 2.541 1.00 0.00 H new ATOM 2021 N ARG A1043 -0.069 -14.311 3.300 1.00 0.00 N ATOM 2022 CA ARG A1043 0.968 -15.200 2.804 1.00 0.00 C ATOM 2023 C ARG A1043 1.163 -16.375 3.763 1.00 0.00 C ATOM 2024 O ARG A1043 0.825 -17.512 3.435 1.00 0.00 O ATOM 2025 CB ARG A1043 2.297 -14.458 2.640 1.00 0.00 C ATOM 2026 CG ARG A1043 3.019 -14.903 1.367 1.00 0.00 C ATOM 2027 CD ARG A1043 4.528 -15.003 1.599 1.00 0.00 C ATOM 2028 NE ARG A1043 5.196 -13.769 1.126 1.00 0.00 N ATOM 2029 CZ ARG A1043 5.365 -12.672 1.875 1.00 0.00 C ATOM 2030 NH1 ARG A1043 4.918 -12.647 3.138 1.00 0.00 N ATOM 2031 NH2 ARG A1043 5.983 -11.599 1.362 1.00 0.00 N ATOM 0 H ARG A1043 0.211 -13.334 3.383 1.00 0.00 H new ATOM 0 HA ARG A1043 0.649 -15.571 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.116 -13.384 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A1043 2.931 -14.645 3.506 1.00 0.00 H new ATOM 0 HG2 ARG A1043 2.632 -15.870 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A1043 2.817 -14.195 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.732 -15.153 2.659 1.00 0.00 H new ATOM 0 HD3 ARG A1043 4.929 -15.868 1.071 1.00 0.00 H new ATOM 0 HE ARG A1043 5.550 -13.754 0.169 1.00 0.00 H new ATOM 0 HH11 ARG A1043 4.449 -13.464 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A1043 5.047 -11.811 3.708 1.00 0.00 H new ATOM 0 HH21 ARG A1043 6.325 -11.618 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A1043 6.112 -10.763 1.933 1.00 0.00 H new ATOM 2045 N LEU A1044 1.708 -16.062 4.929 1.00 0.00 N ATOM 2046 CA LEU A1044 1.952 -17.079 5.938 1.00 0.00 C ATOM 2047 C LEU A1044 0.759 -18.035 5.991 1.00 0.00 C ATOM 2048 O LEU A1044 0.936 -19.251 6.047 1.00 0.00 O ATOM 2049 CB LEU A1044 2.280 -16.430 7.284 1.00 0.00 C ATOM 2050 CG LEU A1044 1.389 -15.257 7.698 1.00 0.00 C ATOM 2051 CD1 LEU A1044 0.199 -15.739 8.530 1.00 0.00 C ATOM 2052 CD2 LEU A1044 2.199 -14.183 8.427 1.00 0.00 C ATOM 0 H LEU A1044 1.988 -15.119 5.198 1.00 0.00 H new ATOM 0 HA LEU A1044 2.827 -17.674 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.222 -17.195 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.313 -16.083 7.256 1.00 0.00 H new ATOM 0 HG LEU A1044 0.987 -14.799 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.418 -14.886 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.396 -16.439 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.562 -16.236 9.430 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.542 -13.361 8.710 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.650 -14.612 9.322 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.984 -13.810 7.769 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.429 -17.450 5.971 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.651 -18.235 6.016 1.00 0.00 C ATOM 2066 C LYS A1045 -1.475 -19.494 5.165 1.00 0.00 C ATOM 2067 O LYS A1045 -1.980 -20.560 5.515 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.853 -17.381 5.608 1.00 0.00 C ATOM 2069 CG LYS A1045 -4.146 -17.927 6.217 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.965 -18.687 5.172 1.00 0.00 C ATOM 2071 CE LYS A1045 -6.449 -18.705 5.546 1.00 0.00 C ATOM 2072 NZ LYS A1045 -7.067 -17.388 5.275 1.00 0.00 N ATOM 0 H LYS A1045 -0.572 -16.441 5.924 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.854 -18.564 7.035 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.700 -16.352 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -2.938 -17.362 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -3.909 -18.589 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -4.737 -17.105 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -4.838 -18.220 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -4.595 -19.709 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -6.964 -19.479 4.977 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.561 -18.956 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -8.102 -17.485 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -6.785 -16.713 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -6.749 -17.039 4.348 1.00 0.00 H new ATOM 2086 N MET A1046 -0.756 -19.330 4.064 1.00 0.00 N ATOM 2087 CA MET A1046 -0.507 -20.440 3.160 1.00 0.00 C ATOM 2088 C MET A1046 0.639 -21.316 3.671 1.00 0.00 C ATOM 2089 O MET A1046 0.493 -22.532 3.783 1.00 0.00 O ATOM 2090 CB MET A1046 -0.158 -19.900 1.772 1.00 0.00 C ATOM 2091 CG MET A1046 0.551 -20.964 0.932 1.00 0.00 C ATOM 2092 SD MET A1046 0.780 -20.372 -0.736 1.00 0.00 S ATOM 2093 CE MET A1046 1.035 -18.635 -0.417 1.00 0.00 C ATOM 0 H MET A1046 -0.338 -18.445 3.778 1.00 0.00 H new ATOM 0 HA MET A1046 -1.409 -21.050 3.105 1.00 0.00 H new ATOM 0 HB2 MET A1046 -1.067 -19.577 1.264 1.00 0.00 H new ATOM 0 HB3 MET A1046 0.482 -19.023 1.869 1.00 0.00 H new ATOM 0 HG2 MET A1046 1.516 -21.206 1.376 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.036 -21.883 0.923 1.00 0.00 H new ATOM 0 HE1 MET A1046 1.469 -18.163 -1.298 1.00 0.00 H new ATOM 0 HE2 MET A1046 0.080 -18.163 -0.187 1.00 0.00 H new ATOM 0 HE3 MET A1046 1.712 -18.516 0.429 1.00 0.00 H new ATOM 2103 N ILE A1047 1.753 -20.663 3.967 1.00 0.00 N ATOM 2104 CA ILE A1047 2.924 -21.367 4.463 1.00 0.00 C ATOM 2105 C ILE A1047 2.529 -22.212 5.675 1.00 0.00 C ATOM 2106 O ILE A1047 2.990 -23.343 5.825 1.00 0.00 O ATOM 2107 CB ILE A1047 4.062 -20.384 4.742 1.00 0.00 C ATOM 2108 CG1 ILE A1047 4.695 -19.893 3.439 1.00 0.00 C ATOM 2109 CG2 ILE A1047 5.097 -20.998 5.686 1.00 0.00 C ATOM 2110 CD1 ILE A1047 4.629 -18.367 3.338 1.00 0.00 C ATOM 0 H ILE A1047 1.870 -19.654 3.873 1.00 0.00 H new ATOM 0 HA ILE A1047 3.306 -22.053 3.707 1.00 0.00 H new ATOM 0 HB ILE A1047 3.644 -19.512 5.245 1.00 0.00 H new ATOM 0 HG12 ILE A1047 5.734 -20.220 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A1047 4.179 -20.340 2.589 1.00 0.00 H new ATOM 0 HG21 ILE A1047 5.895 -20.279 5.868 1.00 0.00 H new ATOM 0 HG22 ILE A1047 4.619 -21.257 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.515 -21.897 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.086 -18.044 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A1047 3.588 -18.045 3.363 1.00 0.00 H new ATOM 0 HD13 ILE A1047 5.166 -17.923 4.176 1.00 0.00 H new