USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1010 MET CE :methyl -125:sc= -3.6! (180deg=-2.36!) USER MOD Set 1.2: A1011 THR OG1 : rot 180:sc= -3.54! USER MOD Set 2.1: A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A1020 GLN : amide:sc= -0.0019 X(o=-0.0019,f=-0.037) USER MOD Set 3.1: A 951 TYR OH : rot 165:sc=-0.00566 USER MOD Set 3.2: A1021 MET CE :methyl 145:sc= -0.293 (180deg=-1.63!) USER MOD Single : A 922 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.11) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.4!) USER MOD Single : A 930 THR OG1 : rot -108:sc= -0.0837 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -160:sc=-0.00424 (180deg=-0.681) USER MOD Single : A 940 SER OG : rot -59:sc= 1.44 USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 944 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 954 MET CE :methyl -124:sc= -3.12 (180deg=-6.64!) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 98:sc= 1.21 USER MOD Single : A 972 SER OG : rot -140:sc= -0.283 USER MOD Single : A 979 SER OG : rot -140:sc= -0.0552 USER MOD Single : A 980 THR OG1 : rot 180:sc= -4.22! USER MOD Single : A 981 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.32) USER MOD Single : A 986 MET CE :methyl -144:sc= -0.503 (180deg=-2.43!) USER MOD Single : A 988 GLN : amide:sc= -10.1! C(o=-10!,f=-14!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.0747 K(o=-0.075,f=-1.9!) USER MOD Single : A1002 MET CE :methyl -118:sc= -3.87 (180deg=-5.44!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.6!) 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 : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= -2.6! C(o=-2.6!,f=-8!) USER MOD Single : A1015 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.8!) USER MOD Single : A1017 TYR OH : rot 47:sc= 1.85 USER MOD Single : A1018 LYS NZ :NH3+ -154:sc= -2.41 (180deg=-2.86!) USER MOD Single : A1019 LYS NZ :NH3+ -149:sc= -0.075 (180deg=-0.761) USER MOD Single : A1023 THR OG1 : rot 92:sc= 0.277 USER MOD Single : A1026 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.56) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.4!) USER MOD Single : A1041 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.3!) USER MOD Single : A1045 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.137) USER MOD Single : A1046 MET CE :methyl 162:sc= -0.412 (180deg=-1.62!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.983 -10.243 -6.099 1.00 0.00 N ATOM 108 CA ASN A 922 5.544 -9.732 -4.811 1.00 0.00 C ATOM 109 C ASN A 922 6.362 -8.489 -4.455 1.00 0.00 C ATOM 110 O ASN A 922 5.937 -7.676 -3.636 1.00 0.00 O ATOM 111 CB ASN A 922 5.754 -10.769 -3.706 1.00 0.00 C ATOM 112 CG ASN A 922 7.239 -11.095 -3.535 1.00 0.00 C ATOM 113 OD1 ASN A 922 7.855 -11.755 -4.355 1.00 0.00 O ATOM 114 ND2 ASN A 922 7.777 -10.597 -2.425 1.00 0.00 N ATOM 0 HA ASN A 922 4.483 -9.496 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 922 5.350 -10.391 -2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 922 5.204 -11.679 -3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 922 8.763 -10.760 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 922 7.204 -10.053 -1.780 1.00 0.00 H new ATOM 121 N ASP A 923 7.521 -8.381 -5.088 1.00 0.00 N ATOM 122 CA ASP A 923 8.402 -7.251 -4.848 1.00 0.00 C ATOM 123 C ASP A 923 7.844 -6.015 -5.556 1.00 0.00 C ATOM 124 O ASP A 923 8.023 -4.892 -5.086 1.00 0.00 O ATOM 125 CB ASP A 923 9.804 -7.519 -5.399 1.00 0.00 C ATOM 126 CG ASP A 923 10.840 -7.941 -4.356 1.00 0.00 C ATOM 127 OD1 ASP A 923 11.034 -7.159 -3.400 1.00 0.00 O ATOM 128 OD2 ASP A 923 11.415 -9.036 -4.537 1.00 0.00 O ATOM 0 H ASP A 923 7.870 -9.058 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 923 8.462 -7.093 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.737 -8.299 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 923 10.160 -6.618 -5.898 1.00 0.00 H new ATOM 133 N LYS A 924 7.179 -6.263 -6.674 1.00 0.00 N ATOM 134 CA LYS A 924 6.593 -5.184 -7.452 1.00 0.00 C ATOM 135 C LYS A 924 5.455 -4.545 -6.653 1.00 0.00 C ATOM 136 O LYS A 924 5.394 -3.324 -6.521 1.00 0.00 O ATOM 137 CB LYS A 924 6.169 -5.688 -8.833 1.00 0.00 C ATOM 138 CG LYS A 924 5.713 -4.529 -9.723 1.00 0.00 C ATOM 139 CD LYS A 924 6.353 -4.619 -11.109 1.00 0.00 C ATOM 140 CE LYS A 924 5.294 -4.520 -12.209 1.00 0.00 C ATOM 141 NZ LYS A 924 5.933 -4.504 -13.544 1.00 0.00 N ATOM 0 H LYS A 924 7.033 -7.196 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 924 7.330 -4.403 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 924 7.002 -6.208 -9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.360 -6.411 -8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 924 4.627 -4.544 -9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 924 5.979 -3.581 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 924 7.083 -3.819 -11.229 1.00 0.00 H new ATOM 0 HD3 LYS A 924 6.894 -5.561 -11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 924 4.608 -5.364 -12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 924 4.702 -3.615 -12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 5.200 -4.436 -14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 6.570 -3.685 -13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 6.478 -5.379 -13.678 1.00 0.00 H new ATOM 155 N VAL A 925 4.582 -5.400 -6.141 1.00 0.00 N ATOM 156 CA VAL A 925 3.449 -4.935 -5.359 1.00 0.00 C ATOM 157 C VAL A 925 3.959 -4.227 -4.102 1.00 0.00 C ATOM 158 O VAL A 925 3.417 -3.198 -3.702 1.00 0.00 O ATOM 159 CB VAL A 925 2.512 -6.104 -5.049 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.193 -5.606 -4.454 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.265 -6.955 -6.296 1.00 0.00 C ATOM 0 H VAL A 925 4.636 -6.412 -6.252 1.00 0.00 H new ATOM 0 HA VAL A 925 2.865 -4.210 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 925 2.998 -6.735 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 925 0.545 -6.457 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 925 1.393 -5.064 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 925 0.701 -4.943 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.596 -7.779 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.810 -6.340 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.213 -7.354 -6.658 1.00 0.00 H new ATOM 171 N TYR A 926 4.995 -4.807 -3.515 1.00 0.00 N ATOM 172 CA TYR A 926 5.584 -4.245 -2.311 1.00 0.00 C ATOM 173 C TYR A 926 6.397 -2.989 -2.634 1.00 0.00 C ATOM 174 O TYR A 926 6.581 -2.127 -1.776 1.00 0.00 O ATOM 175 CB TYR A 926 6.524 -5.319 -1.760 1.00 0.00 C ATOM 176 CG TYR A 926 5.822 -6.390 -0.923 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.566 -6.834 -1.284 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.445 -6.912 0.192 1.00 0.00 C ATOM 179 CE1 TYR A 926 3.906 -7.843 -0.496 1.00 0.00 C ATOM 180 CE2 TYR A 926 5.785 -7.921 0.980 1.00 0.00 C ATOM 181 CZ TYR A 926 4.547 -8.336 0.597 1.00 0.00 C ATOM 182 OH TYR A 926 3.924 -9.288 1.341 1.00 0.00 O ATOM 0 H TYR A 926 5.442 -5.660 -3.850 1.00 0.00 H new ATOM 0 HA TYR A 926 4.808 -3.964 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.036 -5.801 -2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.289 -4.839 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.078 -6.425 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.428 -6.564 0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 926 2.924 -8.200 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.262 -8.339 1.855 1.00 0.00 H new ATOM 0 HH TYR A 926 4.501 -9.547 2.090 1.00 0.00 H new ATOM 192 N GLU A 927 6.862 -2.926 -3.873 1.00 0.00 N ATOM 193 CA GLU A 927 7.651 -1.791 -4.319 1.00 0.00 C ATOM 194 C GLU A 927 6.783 -0.533 -4.380 1.00 0.00 C ATOM 195 O GLU A 927 6.983 0.402 -3.606 1.00 0.00 O ATOM 196 CB GLU A 927 8.302 -2.074 -5.674 1.00 0.00 C ATOM 197 CG GLU A 927 9.598 -2.871 -5.504 1.00 0.00 C ATOM 198 CD GLU A 927 10.816 -1.946 -5.526 1.00 0.00 C ATOM 199 OE1 GLU A 927 10.971 -1.234 -6.542 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.566 -1.972 -4.526 1.00 0.00 O ATOM 0 H GLU A 927 6.707 -3.643 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 927 8.450 -1.623 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 927 7.609 -2.630 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.513 -1.134 -6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.571 -3.420 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 927 9.683 -3.609 -6.302 1.00 0.00 H new ATOM 207 N ASN A 928 5.837 -0.550 -5.308 1.00 0.00 N ATOM 208 CA ASN A 928 4.937 0.579 -5.481 1.00 0.00 C ATOM 209 C ASN A 928 4.459 1.058 -4.109 1.00 0.00 C ATOM 210 O ASN A 928 4.623 2.227 -3.764 1.00 0.00 O ATOM 211 CB ASN A 928 3.707 0.182 -6.299 1.00 0.00 C ATOM 212 CG ASN A 928 4.111 -0.571 -7.568 1.00 0.00 C ATOM 213 OD1 ASN A 928 3.895 -1.763 -7.710 1.00 0.00 O ATOM 214 ND2 ASN A 928 4.709 0.190 -8.480 1.00 0.00 N ATOM 0 H ASN A 928 5.674 -1.327 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 928 5.479 1.366 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.050 -0.444 -5.694 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.140 1.074 -6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 928 5.017 -0.219 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 928 4.859 1.182 -8.297 1.00 0.00 H new ATOM 221 N VAL A 929 3.876 0.130 -3.363 1.00 0.00 N ATOM 222 CA VAL A 929 3.373 0.444 -2.037 1.00 0.00 C ATOM 223 C VAL A 929 4.364 1.367 -1.325 1.00 0.00 C ATOM 224 O VAL A 929 4.014 2.482 -0.942 1.00 0.00 O ATOM 225 CB VAL A 929 3.097 -0.847 -1.263 1.00 0.00 C ATOM 226 CG1 VAL A 929 2.798 -0.552 0.208 1.00 0.00 C ATOM 227 CG2 VAL A 929 1.956 -1.638 -1.907 1.00 0.00 C ATOM 0 H VAL A 929 3.741 -0.839 -3.652 1.00 0.00 H new ATOM 0 HA VAL A 929 2.424 0.976 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 929 3.996 -1.461 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.606 -1.487 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.654 -0.050 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 929 1.921 0.092 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 929 1.780 -2.551 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.050 -1.032 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.225 -1.895 -2.932 1.00 0.00 H new ATOM 237 N THR A 930 5.581 0.868 -1.168 1.00 0.00 N ATOM 238 CA THR A 930 6.625 1.634 -0.509 1.00 0.00 C ATOM 239 C THR A 930 7.009 2.849 -1.354 1.00 0.00 C ATOM 240 O THR A 930 6.806 3.989 -0.938 1.00 0.00 O ATOM 241 CB THR A 930 7.798 0.692 -0.230 1.00 0.00 C ATOM 242 OG1 THR A 930 7.864 -0.133 -1.390 1.00 0.00 O ATOM 243 CG2 THR A 930 7.504 -0.289 0.907 1.00 0.00 C ATOM 0 H THR A 930 5.868 -0.058 -1.486 1.00 0.00 H new ATOM 0 HA THR A 930 6.279 2.036 0.443 1.00 0.00 H new ATOM 0 HB THR A 930 8.683 1.278 0.016 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.550 -1.035 -1.168 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.369 -0.934 1.064 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.295 0.266 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 930 6.639 -0.899 0.647 1.00 0.00 H new ATOM 251 N GLY A 931 7.557 2.565 -2.527 1.00 0.00 N ATOM 252 CA GLY A 931 7.972 3.621 -3.435 1.00 0.00 C ATOM 253 C GLY A 931 7.016 4.813 -3.363 1.00 0.00 C ATOM 254 O GLY A 931 7.452 5.961 -3.301 1.00 0.00 O ATOM 0 H GLY A 931 7.723 1.619 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.982 3.945 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 931 8.004 3.237 -4.455 1.00 0.00 H new ATOM 258 N LEU A 932 5.728 4.499 -3.372 1.00 0.00 N ATOM 259 CA LEU A 932 4.706 5.530 -3.309 1.00 0.00 C ATOM 260 C LEU A 932 4.657 6.107 -1.892 1.00 0.00 C ATOM 261 O LEU A 932 4.714 7.322 -1.711 1.00 0.00 O ATOM 262 CB LEU A 932 3.363 4.984 -3.797 1.00 0.00 C ATOM 263 CG LEU A 932 2.309 4.731 -2.718 1.00 0.00 C ATOM 264 CD1 LEU A 932 1.860 6.044 -2.072 1.00 0.00 C ATOM 265 CD2 LEU A 932 1.129 3.936 -3.279 1.00 0.00 C ATOM 0 H LEU A 932 5.369 3.545 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 932 4.952 6.352 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.950 5.685 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.544 4.048 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 932 2.762 4.124 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 932 1.110 5.836 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.718 6.536 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 932 1.431 6.696 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.394 3.770 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.668 4.495 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.483 2.975 -3.653 1.00 0.00 H new ATOM 277 N VAL A 933 4.552 5.208 -0.925 1.00 0.00 N ATOM 278 CA VAL A 933 4.494 5.612 0.469 1.00 0.00 C ATOM 279 C VAL A 933 5.676 6.533 0.778 1.00 0.00 C ATOM 280 O VAL A 933 5.494 7.619 1.328 1.00 0.00 O ATOM 281 CB VAL A 933 4.448 4.377 1.371 1.00 0.00 C ATOM 282 CG1 VAL A 933 5.364 4.549 2.584 1.00 0.00 C ATOM 283 CG2 VAL A 933 3.014 4.069 1.806 1.00 0.00 C ATOM 0 H VAL A 933 4.506 4.201 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 933 3.582 6.176 0.665 1.00 0.00 H new ATOM 0 HB VAL A 933 4.813 3.527 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 933 5.312 3.657 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 933 6.390 4.697 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 933 5.043 5.416 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 933 3.010 3.187 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 933 2.610 4.919 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 933 2.399 3.882 0.926 1.00 0.00 H new ATOM 293 N LYS A 934 6.860 6.067 0.411 1.00 0.00 N ATOM 294 CA LYS A 934 8.071 6.836 0.641 1.00 0.00 C ATOM 295 C LYS A 934 7.897 8.240 0.061 1.00 0.00 C ATOM 296 O LYS A 934 8.265 9.228 0.695 1.00 0.00 O ATOM 297 CB LYS A 934 9.291 6.091 0.094 1.00 0.00 C ATOM 298 CG LYS A 934 9.472 4.744 0.797 1.00 0.00 C ATOM 299 CD LYS A 934 10.870 4.627 1.407 1.00 0.00 C ATOM 300 CE LYS A 934 10.834 4.881 2.915 1.00 0.00 C ATOM 301 NZ LYS A 934 10.924 3.604 3.658 1.00 0.00 N ATOM 0 H LYS A 934 7.007 5.166 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 934 8.250 6.953 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 934 9.174 5.933 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.185 6.700 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.720 4.634 1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.313 3.934 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.274 3.634 1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.540 5.343 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 934 11.660 5.533 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 934 9.912 5.399 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 10.898 3.794 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 10.122 2.994 3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 11.815 3.125 3.418 1.00 0.00 H new ATOM 315 N ALA A 935 7.336 8.285 -1.139 1.00 0.00 N ATOM 316 CA ALA A 935 7.109 9.552 -1.812 1.00 0.00 C ATOM 317 C ALA A 935 6.034 10.339 -1.059 1.00 0.00 C ATOM 318 O ALA A 935 6.220 11.517 -0.756 1.00 0.00 O ATOM 319 CB ALA A 935 6.728 9.294 -3.271 1.00 0.00 C ATOM 0 H ALA A 935 7.032 7.464 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 935 8.018 10.154 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.558 10.245 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.536 8.758 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.818 8.695 -3.309 1.00 0.00 H new ATOM 325 N VAL A 936 4.934 9.657 -0.778 1.00 0.00 N ATOM 326 CA VAL A 936 3.830 10.278 -0.066 1.00 0.00 C ATOM 327 C VAL A 936 4.384 11.199 1.022 1.00 0.00 C ATOM 328 O VAL A 936 3.884 12.306 1.217 1.00 0.00 O ATOM 329 CB VAL A 936 2.890 9.202 0.482 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.084 9.732 1.670 1.00 0.00 C ATOM 331 CG2 VAL A 936 1.966 8.670 -0.615 1.00 0.00 C ATOM 0 H VAL A 936 4.783 8.680 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 936 3.238 10.894 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 936 3.501 8.372 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.424 8.948 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 936 2.765 10.038 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.488 10.588 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.309 7.907 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.366 9.488 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.564 8.236 -1.416 1.00 0.00 H new ATOM 341 N ILE A 937 5.409 10.708 1.703 1.00 0.00 N ATOM 342 CA ILE A 937 6.037 11.474 2.766 1.00 0.00 C ATOM 343 C ILE A 937 7.068 12.429 2.162 1.00 0.00 C ATOM 344 O ILE A 937 6.918 13.646 2.249 1.00 0.00 O ATOM 345 CB ILE A 937 6.614 10.539 3.830 1.00 0.00 C ATOM 346 CG1 ILE A 937 5.503 9.761 4.539 1.00 0.00 C ATOM 347 CG2 ILE A 937 7.494 11.309 4.818 1.00 0.00 C ATOM 348 CD1 ILE A 937 5.287 8.395 3.883 1.00 0.00 C ATOM 0 H ILE A 937 5.820 9.789 1.539 1.00 0.00 H new ATOM 0 HA ILE A 937 5.298 12.088 3.280 1.00 0.00 H new ATOM 0 HB ILE A 937 7.251 9.808 3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 937 5.761 9.627 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 937 4.576 10.334 4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 937 7.892 10.621 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 937 8.318 11.779 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 937 6.899 12.077 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 937 4.493 7.862 4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 937 5.006 8.533 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 937 6.209 7.816 3.937 1.00 0.00 H new ATOM 360 N GLU A 938 8.092 11.840 1.562 1.00 0.00 N ATOM 361 CA GLU A 938 9.148 12.623 0.943 1.00 0.00 C ATOM 362 C GLU A 938 8.576 13.915 0.356 1.00 0.00 C ATOM 363 O GLU A 938 9.205 14.969 0.436 1.00 0.00 O ATOM 364 CB GLU A 938 9.877 11.811 -0.129 1.00 0.00 C ATOM 365 CG GLU A 938 11.350 11.618 0.237 1.00 0.00 C ATOM 366 CD GLU A 938 11.622 10.179 0.681 1.00 0.00 C ATOM 367 OE1 GLU A 938 11.813 9.334 -0.220 1.00 0.00 O ATOM 368 OE2 GLU A 938 11.631 9.957 1.911 1.00 0.00 O ATOM 0 H GLU A 938 8.213 10.830 1.491 1.00 0.00 H new ATOM 0 HA GLU A 938 9.876 12.886 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.397 10.839 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.801 12.320 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.976 11.862 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.623 12.307 1.037 1.00 0.00 H new ATOM 375 N MET A 939 7.389 13.792 -0.219 1.00 0.00 N ATOM 376 CA MET A 939 6.725 14.937 -0.819 1.00 0.00 C ATOM 377 C MET A 939 6.644 16.103 0.169 1.00 0.00 C ATOM 378 O MET A 939 7.304 17.124 -0.016 1.00 0.00 O ATOM 379 CB MET A 939 5.314 14.538 -1.255 1.00 0.00 C ATOM 380 CG MET A 939 4.888 15.311 -2.506 1.00 0.00 C ATOM 381 SD MET A 939 3.123 15.575 -2.488 1.00 0.00 S ATOM 382 CE MET A 939 2.562 13.907 -2.192 1.00 0.00 C ATOM 0 H MET A 939 6.869 12.917 -0.282 1.00 0.00 H new ATOM 0 HA MET A 939 7.305 15.258 -1.684 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.281 13.467 -1.456 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.610 14.733 -0.446 1.00 0.00 H new ATOM 0 HG2 MET A 939 5.407 16.269 -2.546 1.00 0.00 H new ATOM 0 HG3 MET A 939 5.172 14.757 -3.401 1.00 0.00 H new ATOM 0 HE1 MET A 939 1.520 13.814 -2.497 1.00 0.00 H new ATOM 0 HE2 MET A 939 3.172 13.211 -2.768 1.00 0.00 H new ATOM 0 HE3 MET A 939 2.652 13.676 -1.131 1.00 0.00 H new ATOM 392 N SER A 940 5.830 15.911 1.196 1.00 0.00 N ATOM 393 CA SER A 940 5.654 16.933 2.213 1.00 0.00 C ATOM 394 C SER A 940 7.004 17.562 2.562 1.00 0.00 C ATOM 395 O SER A 940 7.072 18.737 2.921 1.00 0.00 O ATOM 396 CB SER A 940 4.998 16.355 3.468 1.00 0.00 C ATOM 397 OG SER A 940 3.884 15.523 3.154 1.00 0.00 O ATOM 0 H SER A 940 5.285 15.062 1.346 1.00 0.00 H new ATOM 0 HA SER A 940 4.994 17.703 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 940 5.734 15.779 4.029 1.00 0.00 H new ATOM 0 HB3 SER A 940 4.671 17.170 4.114 1.00 0.00 H new ATOM 0 HG SER A 940 3.220 16.041 2.652 1.00 0.00 H new ATOM 403 N SER A 941 8.046 16.752 2.444 1.00 0.00 N ATOM 404 CA SER A 941 9.391 17.215 2.743 1.00 0.00 C ATOM 405 C SER A 941 9.825 18.260 1.714 1.00 0.00 C ATOM 406 O SER A 941 10.369 19.303 2.074 1.00 0.00 O ATOM 407 CB SER A 941 10.382 16.049 2.766 1.00 0.00 C ATOM 408 OG SER A 941 11.501 16.317 3.606 1.00 0.00 O ATOM 0 H SER A 941 7.986 15.778 2.146 1.00 0.00 H new ATOM 0 HA SER A 941 9.384 17.670 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 941 9.875 15.149 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 941 10.729 15.848 1.753 1.00 0.00 H new ATOM 0 HG SER A 941 12.109 15.549 3.595 1.00 0.00 H new ATOM 414 N LYS A 942 9.568 17.945 0.453 1.00 0.00 N ATOM 415 CA LYS A 942 9.926 18.844 -0.631 1.00 0.00 C ATOM 416 C LYS A 942 8.661 19.519 -1.167 1.00 0.00 C ATOM 417 O LYS A 942 8.636 19.984 -2.305 1.00 0.00 O ATOM 418 CB LYS A 942 10.727 18.101 -1.702 1.00 0.00 C ATOM 419 CG LYS A 942 10.053 16.778 -2.071 1.00 0.00 C ATOM 420 CD LYS A 942 10.139 16.520 -3.577 1.00 0.00 C ATOM 421 CE LYS A 942 8.763 16.189 -4.157 1.00 0.00 C ATOM 422 NZ LYS A 942 8.819 14.938 -4.945 1.00 0.00 N ATOM 0 H LYS A 942 9.116 17.080 0.158 1.00 0.00 H new ATOM 0 HA LYS A 942 10.581 19.636 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 942 10.820 18.726 -2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.737 17.910 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.529 15.960 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 942 9.008 16.799 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.546 17.399 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.826 15.696 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.037 16.085 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.422 17.009 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 7.876 14.729 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.496 15.050 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 9.124 14.155 -4.332 1.00 0.00 H new ATOM 436 N ILE A 943 7.642 19.551 -0.320 1.00 0.00 N ATOM 437 CA ILE A 943 6.378 20.161 -0.694 1.00 0.00 C ATOM 438 C ILE A 943 6.369 21.623 -0.245 1.00 0.00 C ATOM 439 O ILE A 943 6.102 22.520 -1.043 1.00 0.00 O ATOM 440 CB ILE A 943 5.206 19.342 -0.148 1.00 0.00 C ATOM 441 CG1 ILE A 943 4.090 19.221 -1.188 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.699 19.925 1.172 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.070 20.351 -1.031 1.00 0.00 C ATOM 0 H ILE A 943 7.667 19.164 0.624 1.00 0.00 H new ATOM 0 HA ILE A 943 6.260 20.160 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 943 5.562 18.333 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.517 19.249 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.591 18.258 -1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.866 19.325 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.504 19.916 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.365 20.950 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.288 20.242 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.627 20.306 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.568 21.312 -1.163 1.00 0.00 H new ATOM 455 N GLN A 944 6.664 21.818 1.032 1.00 0.00 N ATOM 456 CA GLN A 944 6.693 23.156 1.598 1.00 0.00 C ATOM 457 C GLN A 944 7.322 24.137 0.607 1.00 0.00 C ATOM 458 O GLN A 944 6.722 25.158 0.273 1.00 0.00 O ATOM 459 CB GLN A 944 7.440 23.171 2.933 1.00 0.00 C ATOM 460 CG GLN A 944 6.515 23.595 4.075 1.00 0.00 C ATOM 461 CD GLN A 944 7.315 23.920 5.338 1.00 0.00 C ATOM 462 OE1 GLN A 944 7.477 25.066 5.724 1.00 0.00 O ATOM 463 NE2 GLN A 944 7.806 22.850 5.957 1.00 0.00 N ATOM 0 H GLN A 944 6.885 21.071 1.691 1.00 0.00 H new ATOM 0 HA GLN A 944 5.667 23.471 1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 944 7.846 22.180 3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.286 23.856 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.935 24.467 3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 944 5.803 22.797 4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 944 7.633 21.918 5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 944 8.356 22.961 6.809 1.00 0.00 H new ATOM 472 N PRO A 945 8.554 23.785 0.152 1.00 0.00 N ATOM 473 CA PRO A 945 9.271 24.623 -0.794 1.00 0.00 C ATOM 474 C PRO A 945 8.678 24.495 -2.199 1.00 0.00 C ATOM 475 O PRO A 945 8.324 25.495 -2.821 1.00 0.00 O ATOM 476 CB PRO A 945 10.716 24.159 -0.715 1.00 0.00 C ATOM 477 CG PRO A 945 10.676 22.779 -0.079 1.00 0.00 C ATOM 478 CD PRO A 945 9.295 22.584 0.526 1.00 0.00 C ATOM 0 HA PRO A 945 9.194 25.684 -0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.168 24.119 -1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.315 24.847 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.878 22.009 -0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.445 22.690 0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.816 21.686 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.349 22.473 1.609 1.00 0.00 H new ATOM 486 N ALA A 946 8.587 23.255 -2.657 1.00 0.00 N ATOM 487 CA ALA A 946 8.043 22.982 -3.977 1.00 0.00 C ATOM 488 C ALA A 946 6.967 24.020 -4.304 1.00 0.00 C ATOM 489 O ALA A 946 6.049 24.238 -3.515 1.00 0.00 O ATOM 490 CB ALA A 946 7.506 21.551 -4.022 1.00 0.00 C ATOM 0 H ALA A 946 8.881 22.428 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 946 8.820 23.062 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 946 7.098 21.346 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.315 20.852 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.721 21.433 -3.275 1.00 0.00 H new ATOM 496 N PRO A 947 7.120 24.648 -5.500 1.00 0.00 N ATOM 497 CA PRO A 947 6.172 25.658 -5.942 1.00 0.00 C ATOM 498 C PRO A 947 4.864 25.015 -6.407 1.00 0.00 C ATOM 499 O PRO A 947 4.741 23.791 -6.424 1.00 0.00 O ATOM 500 CB PRO A 947 6.890 26.413 -7.048 1.00 0.00 C ATOM 501 CG PRO A 947 8.025 25.510 -7.502 1.00 0.00 C ATOM 502 CD PRO A 947 8.195 24.416 -6.461 1.00 0.00 C ATOM 0 HA PRO A 947 5.876 26.337 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.213 26.634 -7.873 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.272 27.367 -6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.802 25.077 -8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 947 8.947 26.081 -7.610 1.00 0.00 H new ATOM 0 HD2 PRO A 947 8.117 23.426 -6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.173 24.473 -5.983 1.00 0.00 H new ATOM 510 N PRO A 948 3.895 25.892 -6.784 1.00 0.00 N ATOM 511 CA PRO A 948 2.601 25.423 -7.249 1.00 0.00 C ATOM 512 C PRO A 948 2.698 24.866 -8.670 1.00 0.00 C ATOM 513 O PRO A 948 1.826 24.116 -9.107 1.00 0.00 O ATOM 514 CB PRO A 948 1.685 26.631 -7.145 1.00 0.00 C ATOM 515 CG PRO A 948 2.599 27.843 -7.071 1.00 0.00 C ATOM 516 CD PRO A 948 4.006 27.348 -6.778 1.00 0.00 C ATOM 0 HA PRO A 948 2.215 24.595 -6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.022 26.694 -8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.051 26.565 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.577 28.396 -8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.264 28.526 -6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.713 27.694 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.362 27.714 -5.815 1.00 0.00 H new ATOM 524 N GLU A 949 3.765 25.254 -9.352 1.00 0.00 N ATOM 525 CA GLU A 949 3.987 24.802 -10.715 1.00 0.00 C ATOM 526 C GLU A 949 4.688 23.442 -10.717 1.00 0.00 C ATOM 527 O GLU A 949 4.701 22.748 -11.732 1.00 0.00 O ATOM 528 CB GLU A 949 4.790 25.834 -11.511 1.00 0.00 C ATOM 529 CG GLU A 949 3.899 26.562 -12.519 1.00 0.00 C ATOM 530 CD GLU A 949 3.582 25.667 -13.719 1.00 0.00 C ATOM 531 OE1 GLU A 949 2.971 24.602 -13.486 1.00 0.00 O ATOM 532 OE2 GLU A 949 3.959 26.068 -14.841 1.00 0.00 O ATOM 0 H GLU A 949 4.486 25.876 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 949 3.018 24.690 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.239 26.556 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.608 25.339 -12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 949 2.972 26.869 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 949 4.396 27.470 -12.860 1.00 0.00 H new ATOM 539 N GLU A 950 5.255 23.103 -9.568 1.00 0.00 N ATOM 540 CA GLU A 950 5.956 21.839 -9.424 1.00 0.00 C ATOM 541 C GLU A 950 5.178 20.903 -8.496 1.00 0.00 C ATOM 542 O GLU A 950 5.569 19.753 -8.299 1.00 0.00 O ATOM 543 CB GLU A 950 7.381 22.058 -8.911 1.00 0.00 C ATOM 544 CG GLU A 950 8.407 21.441 -9.864 1.00 0.00 C ATOM 545 CD GLU A 950 8.774 22.418 -10.982 1.00 0.00 C ATOM 546 OE1 GLU A 950 7.910 22.624 -11.862 1.00 0.00 O ATOM 547 OE2 GLU A 950 9.911 22.936 -10.933 1.00 0.00 O ATOM 0 H GLU A 950 5.243 23.682 -8.728 1.00 0.00 H new ATOM 0 HA GLU A 950 6.026 21.371 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.573 23.126 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.487 21.615 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.304 21.164 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.003 20.525 -10.295 1.00 0.00 H new ATOM 554 N TYR A 951 4.091 21.430 -7.952 1.00 0.00 N ATOM 555 CA TYR A 951 3.255 20.656 -7.051 1.00 0.00 C ATOM 556 C TYR A 951 2.117 19.972 -7.811 1.00 0.00 C ATOM 557 O TYR A 951 1.730 18.852 -7.480 1.00 0.00 O ATOM 558 CB TYR A 951 2.660 21.660 -6.061 1.00 0.00 C ATOM 559 CG TYR A 951 1.886 21.014 -4.910 1.00 0.00 C ATOM 560 CD1 TYR A 951 2.175 19.722 -4.523 1.00 0.00 C ATOM 561 CD2 TYR A 951 0.897 21.724 -4.260 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.446 19.114 -3.439 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.168 21.117 -3.177 1.00 0.00 C ATOM 564 CZ TYR A 951 0.479 19.842 -2.820 1.00 0.00 C ATOM 565 OH TYR A 951 -0.210 19.268 -1.797 1.00 0.00 O ATOM 0 H TYR A 951 3.770 22.384 -8.118 1.00 0.00 H new ATOM 0 HA TYR A 951 3.839 19.879 -6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.465 22.268 -5.648 1.00 0.00 H new ATOM 0 HB3 TYR A 951 1.995 22.335 -6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 951 2.948 19.166 -5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.670 22.735 -4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.663 18.103 -3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.608 21.662 -2.660 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.691 19.960 -1.297 1.00 0.00 H new ATOM 575 N VAL A 952 1.612 20.674 -8.815 1.00 0.00 N ATOM 576 CA VAL A 952 0.526 20.148 -9.625 1.00 0.00 C ATOM 577 C VAL A 952 0.912 18.764 -10.152 1.00 0.00 C ATOM 578 O VAL A 952 0.124 17.824 -10.073 1.00 0.00 O ATOM 579 CB VAL A 952 0.178 21.137 -10.739 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.091 20.406 -12.056 1.00 0.00 C ATOM 581 CG2 VAL A 952 -1.013 22.011 -10.344 1.00 0.00 C ATOM 0 H VAL A 952 1.935 21.603 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.375 20.027 -9.024 1.00 0.00 H new ATOM 0 HB VAL A 952 1.038 21.790 -10.888 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.336 21.132 -12.831 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.797 19.847 -12.350 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -0.926 19.718 -11.926 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.239 22.705 -11.153 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.881 21.379 -10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.769 22.573 -9.442 1.00 0.00 H new ATOM 591 N PRO A 953 2.158 18.682 -10.692 1.00 0.00 N ATOM 592 CA PRO A 953 2.658 17.430 -11.232 1.00 0.00 C ATOM 593 C PRO A 953 3.044 16.464 -10.110 1.00 0.00 C ATOM 594 O PRO A 953 2.628 15.306 -10.113 1.00 0.00 O ATOM 595 CB PRO A 953 3.836 17.822 -12.109 1.00 0.00 C ATOM 596 CG PRO A 953 4.240 19.218 -11.664 1.00 0.00 C ATOM 597 CD PRO A 953 3.119 19.776 -10.803 1.00 0.00 C ATOM 0 HA PRO A 953 1.908 16.893 -11.812 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.662 17.120 -11.991 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.558 17.813 -13.163 1.00 0.00 H new ATOM 0 HG2 PRO A 953 5.173 19.184 -11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.413 19.859 -12.528 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.487 20.081 -9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.667 20.655 -11.262 1.00 0.00 H new ATOM 605 N MET A 954 3.833 16.976 -9.177 1.00 0.00 N ATOM 606 CA MET A 954 4.279 16.173 -8.051 1.00 0.00 C ATOM 607 C MET A 954 3.201 15.173 -7.629 1.00 0.00 C ATOM 608 O MET A 954 3.339 13.972 -7.856 1.00 0.00 O ATOM 609 CB MET A 954 4.617 17.089 -6.873 1.00 0.00 C ATOM 610 CG MET A 954 6.109 17.026 -6.539 1.00 0.00 C ATOM 611 SD MET A 954 6.654 18.594 -5.883 1.00 0.00 S ATOM 612 CE MET A 954 5.458 18.816 -4.577 1.00 0.00 C ATOM 0 H MET A 954 4.175 17.937 -9.178 1.00 0.00 H new ATOM 0 HA MET A 954 5.165 15.615 -8.355 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.338 18.115 -7.114 1.00 0.00 H new ATOM 0 HB3 MET A 954 4.033 16.796 -6.001 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.295 16.234 -5.813 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.680 16.778 -7.434 1.00 0.00 H new ATOM 0 HE1 MET A 954 4.944 19.767 -4.713 1.00 0.00 H new ATOM 0 HE2 MET A 954 4.732 18.004 -4.607 1.00 0.00 H new ATOM 0 HE3 MET A 954 5.967 18.813 -3.613 1.00 0.00 H new ATOM 622 N VAL A 955 2.150 15.706 -7.022 1.00 0.00 N ATOM 623 CA VAL A 955 1.049 14.876 -6.566 1.00 0.00 C ATOM 624 C VAL A 955 0.539 14.026 -7.732 1.00 0.00 C ATOM 625 O VAL A 955 0.455 12.804 -7.623 1.00 0.00 O ATOM 626 CB VAL A 955 -0.041 15.749 -5.942 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.374 15.000 -5.876 1.00 0.00 C ATOM 628 CG2 VAL A 955 0.379 16.244 -4.557 1.00 0.00 C ATOM 0 H VAL A 955 2.038 16.703 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 955 1.385 14.191 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.179 16.621 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.131 15.644 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -1.685 14.721 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.257 14.102 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.414 16.862 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.559 15.390 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 955 1.292 16.833 -4.643 1.00 0.00 H new ATOM 638 N LYS A 956 0.214 14.707 -8.821 1.00 0.00 N ATOM 639 CA LYS A 956 -0.285 14.030 -10.006 1.00 0.00 C ATOM 640 C LYS A 956 0.480 12.719 -10.198 1.00 0.00 C ATOM 641 O LYS A 956 -0.074 11.741 -10.699 1.00 0.00 O ATOM 642 CB LYS A 956 -0.226 14.960 -11.219 1.00 0.00 C ATOM 643 CG LYS A 956 -1.468 15.851 -11.288 1.00 0.00 C ATOM 644 CD LYS A 956 -2.705 15.038 -11.678 1.00 0.00 C ATOM 645 CE LYS A 956 -3.827 15.223 -10.655 1.00 0.00 C ATOM 646 NZ LYS A 956 -5.145 15.239 -11.329 1.00 0.00 N ATOM 0 H LYS A 956 0.286 15.721 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.337 13.771 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.668 15.581 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.147 14.369 -12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.632 16.328 -10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -1.308 16.648 -12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -3.052 15.348 -12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.443 13.982 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -3.796 14.416 -9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -3.680 16.155 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -5.896 15.365 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -5.177 16.024 -12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -5.290 14.339 -11.830 1.00 0.00 H new ATOM 660 N GLU A 957 1.740 12.741 -9.791 1.00 0.00 N ATOM 661 CA GLU A 957 2.586 11.566 -9.912 1.00 0.00 C ATOM 662 C GLU A 957 2.148 10.491 -8.916 1.00 0.00 C ATOM 663 O GLU A 957 1.811 9.375 -9.310 1.00 0.00 O ATOM 664 CB GLU A 957 4.059 11.928 -9.715 1.00 0.00 C ATOM 665 CG GLU A 957 4.943 11.210 -10.738 1.00 0.00 C ATOM 666 CD GLU A 957 5.150 9.745 -10.350 1.00 0.00 C ATOM 667 OE1 GLU A 957 4.136 9.014 -10.331 1.00 0.00 O ATOM 668 OE2 GLU A 957 6.318 9.388 -10.082 1.00 0.00 O ATOM 0 H GLU A 957 2.196 13.554 -9.377 1.00 0.00 H new ATOM 0 HA GLU A 957 2.476 11.166 -10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 957 4.188 13.006 -9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.372 11.658 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 957 4.484 11.267 -11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 957 5.908 11.712 -10.806 1.00 0.00 H new ATOM 675 N VAL A 958 2.167 10.864 -7.645 1.00 0.00 N ATOM 676 CA VAL A 958 1.775 9.946 -6.589 1.00 0.00 C ATOM 677 C VAL A 958 0.462 9.262 -6.975 1.00 0.00 C ATOM 678 O VAL A 958 0.302 8.059 -6.774 1.00 0.00 O ATOM 679 CB VAL A 958 1.693 10.688 -5.254 1.00 0.00 C ATOM 680 CG1 VAL A 958 0.265 10.670 -4.704 1.00 0.00 C ATOM 681 CG2 VAL A 958 2.678 10.103 -4.240 1.00 0.00 C ATOM 0 H VAL A 958 2.448 11.790 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 958 2.524 9.164 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 958 1.971 11.727 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 958 0.234 11.204 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.405 11.154 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -0.053 9.639 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 958 2.599 10.649 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 958 2.444 9.052 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 958 3.693 10.191 -4.627 1.00 0.00 H new ATOM 691 N GLY A 959 -0.445 10.059 -7.522 1.00 0.00 N ATOM 692 CA GLY A 959 -1.739 9.545 -7.938 1.00 0.00 C ATOM 693 C GLY A 959 -1.579 8.412 -8.953 1.00 0.00 C ATOM 694 O GLY A 959 -2.264 7.394 -8.865 1.00 0.00 O ATOM 0 H GLY A 959 -0.309 11.056 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.287 9.184 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.330 10.349 -8.376 1.00 0.00 H new ATOM 698 N LEU A 960 -0.671 8.626 -9.893 1.00 0.00 N ATOM 699 CA LEU A 960 -0.412 7.636 -10.924 1.00 0.00 C ATOM 700 C LEU A 960 0.056 6.335 -10.269 1.00 0.00 C ATOM 701 O LEU A 960 -0.408 5.253 -10.627 1.00 0.00 O ATOM 702 CB LEU A 960 0.566 8.187 -11.964 1.00 0.00 C ATOM 703 CG LEU A 960 0.125 8.074 -13.425 1.00 0.00 C ATOM 704 CD1 LEU A 960 1.101 8.804 -14.350 1.00 0.00 C ATOM 705 CD2 LEU A 960 -0.063 6.611 -13.829 1.00 0.00 C ATOM 0 H LEU A 960 -0.105 9.472 -9.962 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.327 7.408 -11.471 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.749 9.238 -11.741 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.517 7.667 -11.851 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.844 8.563 -13.529 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.765 8.708 -15.382 1.00 0.00 H new ATOM 0 HD12 LEU A 960 1.141 9.859 -14.078 1.00 0.00 H new ATOM 0 HD13 LEU A 960 2.094 8.366 -14.250 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -0.376 6.559 -14.872 1.00 0.00 H new ATOM 0 HD22 LEU A 960 0.878 6.076 -13.706 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.825 6.154 -13.198 1.00 0.00 H new ATOM 717 N ALA A 961 0.970 6.482 -9.320 1.00 0.00 N ATOM 718 CA ALA A 961 1.506 5.333 -8.612 1.00 0.00 C ATOM 719 C ALA A 961 0.350 4.467 -8.105 1.00 0.00 C ATOM 720 O ALA A 961 0.266 3.284 -8.433 1.00 0.00 O ATOM 721 CB ALA A 961 2.416 5.810 -7.479 1.00 0.00 C ATOM 0 H ALA A 961 1.353 7.381 -9.025 1.00 0.00 H new ATOM 0 HA ALA A 961 2.111 4.719 -9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.818 4.947 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.236 6.396 -7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 961 1.843 6.427 -6.787 1.00 0.00 H new ATOM 727 N LEU A 962 -0.512 5.090 -7.315 1.00 0.00 N ATOM 728 CA LEU A 962 -1.658 4.391 -6.760 1.00 0.00 C ATOM 729 C LEU A 962 -2.391 3.652 -7.881 1.00 0.00 C ATOM 730 O LEU A 962 -2.679 2.462 -7.761 1.00 0.00 O ATOM 731 CB LEU A 962 -2.548 5.359 -5.977 1.00 0.00 C ATOM 732 CG LEU A 962 -1.972 5.884 -4.661 1.00 0.00 C ATOM 733 CD1 LEU A 962 -2.190 7.393 -4.531 1.00 0.00 C ATOM 734 CD2 LEU A 962 -2.545 5.118 -3.467 1.00 0.00 C ATOM 0 H LEU A 962 -0.440 6.071 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.334 3.639 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.775 6.212 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.493 4.860 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 962 -0.896 5.713 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.771 7.741 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -1.696 7.904 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -3.258 7.610 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -2.119 5.511 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.628 5.235 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -2.296 4.061 -3.560 1.00 0.00 H new ATOM 746 N ARG A 963 -2.672 4.387 -8.947 1.00 0.00 N ATOM 747 CA ARG A 963 -3.365 3.816 -10.089 1.00 0.00 C ATOM 748 C ARG A 963 -2.718 2.491 -10.495 1.00 0.00 C ATOM 749 O ARG A 963 -3.372 1.449 -10.490 1.00 0.00 O ATOM 750 CB ARG A 963 -3.342 4.774 -11.282 1.00 0.00 C ATOM 751 CG ARG A 963 -4.706 4.819 -11.975 1.00 0.00 C ATOM 752 CD ARG A 963 -5.435 6.127 -11.664 1.00 0.00 C ATOM 753 NE ARG A 963 -4.911 7.215 -12.520 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.265 7.402 -13.799 1.00 0.00 C ATOM 755 NH1 ARG A 963 -6.146 6.575 -14.378 1.00 0.00 N ATOM 756 NH2 ARG A 963 -4.738 8.416 -14.499 1.00 0.00 N ATOM 0 H ARG A 963 -2.432 5.374 -9.044 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.401 3.643 -9.796 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -3.068 5.774 -10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -2.579 4.457 -11.993 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -4.574 4.719 -13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -5.312 3.974 -11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.505 6.005 -11.831 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -5.304 6.385 -10.613 1.00 0.00 H new ATOM 0 HE ARG A 963 -4.238 7.863 -12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -6.547 5.803 -13.845 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -6.415 6.717 -15.351 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -4.067 9.046 -14.058 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -5.008 8.558 -15.472 1.00 0.00 H new ATOM 770 N THR A 964 -1.440 2.573 -10.836 1.00 0.00 N ATOM 771 CA THR A 964 -0.697 1.393 -11.244 1.00 0.00 C ATOM 772 C THR A 964 -0.648 0.373 -10.104 1.00 0.00 C ATOM 773 O THR A 964 -0.753 -0.830 -10.338 1.00 0.00 O ATOM 774 CB THR A 964 0.687 1.844 -11.715 1.00 0.00 C ATOM 775 OG1 THR A 964 0.446 2.427 -12.993 1.00 0.00 O ATOM 776 CG2 THR A 964 1.618 0.667 -12.011 1.00 0.00 C ATOM 0 H THR A 964 -0.900 3.439 -10.838 1.00 0.00 H new ATOM 0 HA THR A 964 -1.188 0.884 -12.073 1.00 0.00 H new ATOM 0 HB THR A 964 1.139 2.481 -10.955 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.291 2.748 -13.371 1.00 0.00 H new ATOM 0 HG21 THR A 964 2.586 1.043 -12.341 1.00 0.00 H new ATOM 0 HG22 THR A 964 1.749 0.071 -11.108 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.183 0.047 -12.795 1.00 0.00 H new ATOM 784 N LEU A 965 -0.489 0.892 -8.895 1.00 0.00 N ATOM 785 CA LEU A 965 -0.425 0.042 -7.719 1.00 0.00 C ATOM 786 C LEU A 965 -1.734 -0.739 -7.587 1.00 0.00 C ATOM 787 O LEU A 965 -1.731 -1.898 -7.175 1.00 0.00 O ATOM 788 CB LEU A 965 -0.075 0.868 -6.479 1.00 0.00 C ATOM 789 CG LEU A 965 -0.196 0.146 -5.136 1.00 0.00 C ATOM 790 CD1 LEU A 965 0.651 0.836 -4.064 1.00 0.00 C ATOM 791 CD2 LEU A 965 -1.661 0.016 -4.713 1.00 0.00 C ATOM 0 H LEU A 965 -0.403 1.890 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 965 0.375 -0.691 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.948 1.229 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -0.722 1.745 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 965 0.196 -0.864 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 965 0.547 0.303 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 965 1.697 0.833 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 965 0.313 1.865 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -1.719 -0.501 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.101 1.008 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -2.208 -0.552 -5.465 1.00 0.00 H new ATOM 803 N LEU A 966 -2.822 -0.073 -7.945 1.00 0.00 N ATOM 804 CA LEU A 966 -4.135 -0.690 -7.872 1.00 0.00 C ATOM 805 C LEU A 966 -4.138 -1.974 -8.705 1.00 0.00 C ATOM 806 O LEU A 966 -4.482 -3.043 -8.203 1.00 0.00 O ATOM 807 CB LEU A 966 -5.220 0.309 -8.279 1.00 0.00 C ATOM 808 CG LEU A 966 -6.517 0.258 -7.469 1.00 0.00 C ATOM 809 CD1 LEU A 966 -7.063 1.665 -7.219 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.550 -0.645 -8.145 1.00 0.00 C ATOM 0 H LEU A 966 -2.821 0.888 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.365 -0.975 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.807 1.315 -8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -5.464 0.143 -9.328 1.00 0.00 H new ATOM 0 HG LEU A 966 -6.295 -0.179 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -7.985 1.600 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -6.327 2.247 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -7.266 2.151 -8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -8.462 -0.664 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.774 -0.260 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -7.150 -1.656 -8.229 1.00 0.00 H new ATOM 822 N ALA A 967 -3.750 -1.826 -9.963 1.00 0.00 N ATOM 823 CA ALA A 967 -3.703 -2.960 -10.870 1.00 0.00 C ATOM 824 C ALA A 967 -2.760 -4.023 -10.302 1.00 0.00 C ATOM 825 O ALA A 967 -3.069 -5.213 -10.335 1.00 0.00 O ATOM 826 CB ALA A 967 -3.276 -2.485 -12.260 1.00 0.00 C ATOM 0 H ALA A 967 -3.465 -0.938 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 967 -4.689 -3.413 -10.969 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -3.241 -3.336 -12.940 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.994 -1.753 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.289 -2.027 -12.201 1.00 0.00 H new ATOM 832 N THR A 968 -1.630 -3.555 -9.795 1.00 0.00 N ATOM 833 CA THR A 968 -0.640 -4.451 -9.221 1.00 0.00 C ATOM 834 C THR A 968 -1.287 -5.359 -8.173 1.00 0.00 C ATOM 835 O THR A 968 -1.030 -6.562 -8.145 1.00 0.00 O ATOM 836 CB THR A 968 0.502 -3.599 -8.663 1.00 0.00 C ATOM 837 OG1 THR A 968 0.884 -2.771 -9.759 1.00 0.00 O ATOM 838 CG2 THR A 968 1.756 -4.423 -8.365 1.00 0.00 C ATOM 0 H THR A 968 -1.377 -2.567 -9.769 1.00 0.00 H new ATOM 0 HA THR A 968 -0.227 -5.120 -9.976 1.00 0.00 H new ATOM 0 HB THR A 968 0.171 -3.100 -7.752 1.00 0.00 H new ATOM 0 HG1 THR A 968 0.457 -1.893 -9.670 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.535 -3.770 -7.972 1.00 0.00 H new ATOM 0 HG22 THR A 968 1.520 -5.191 -7.629 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.107 -4.895 -9.282 1.00 0.00 H new ATOM 846 N VAL A 969 -2.114 -4.749 -7.337 1.00 0.00 N ATOM 847 CA VAL A 969 -2.800 -5.488 -6.291 1.00 0.00 C ATOM 848 C VAL A 969 -3.569 -6.654 -6.916 1.00 0.00 C ATOM 849 O VAL A 969 -3.516 -7.776 -6.415 1.00 0.00 O ATOM 850 CB VAL A 969 -3.696 -4.545 -5.485 1.00 0.00 C ATOM 851 CG1 VAL A 969 -4.160 -5.206 -4.186 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.983 -3.221 -5.202 1.00 0.00 C ATOM 0 H VAL A 969 -2.325 -3.751 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 969 -2.082 -5.911 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 969 -4.580 -4.329 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.795 -4.514 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.724 -6.109 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.292 -5.466 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -3.641 -2.569 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.074 -3.412 -4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.725 -2.738 -6.144 1.00 0.00 H new ATOM 862 N ASP A 970 -4.266 -6.348 -8.000 1.00 0.00 N ATOM 863 CA ASP A 970 -5.045 -7.356 -8.698 1.00 0.00 C ATOM 864 C ASP A 970 -4.182 -8.601 -8.915 1.00 0.00 C ATOM 865 O ASP A 970 -4.640 -9.723 -8.704 1.00 0.00 O ATOM 866 CB ASP A 970 -5.498 -6.851 -10.069 1.00 0.00 C ATOM 867 CG ASP A 970 -6.527 -7.735 -10.777 1.00 0.00 C ATOM 868 OD1 ASP A 970 -7.192 -8.515 -10.062 1.00 0.00 O ATOM 869 OD2 ASP A 970 -6.626 -7.610 -12.017 1.00 0.00 O ATOM 0 H ASP A 970 -4.308 -5.416 -8.412 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.921 -7.585 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -5.919 -5.853 -9.951 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.622 -6.753 -10.711 1.00 0.00 H new ATOM 874 N GLU A 971 -2.948 -8.361 -9.333 1.00 0.00 N ATOM 875 CA GLU A 971 -2.017 -9.449 -9.581 1.00 0.00 C ATOM 876 C GLU A 971 -1.546 -10.056 -8.257 1.00 0.00 C ATOM 877 O GLU A 971 -1.098 -11.201 -8.220 1.00 0.00 O ATOM 878 CB GLU A 971 -0.829 -8.974 -10.420 1.00 0.00 C ATOM 879 CG GLU A 971 -1.195 -8.915 -11.904 1.00 0.00 C ATOM 880 CD GLU A 971 0.017 -9.241 -12.781 1.00 0.00 C ATOM 881 OE1 GLU A 971 0.322 -10.447 -12.903 1.00 0.00 O ATOM 882 OE2 GLU A 971 0.610 -8.276 -13.309 1.00 0.00 O ATOM 0 H GLU A 971 -2.571 -7.429 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 971 -2.534 -10.222 -10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -0.511 -7.988 -10.081 1.00 0.00 H new ATOM 0 HB3 GLU A 971 0.015 -9.649 -10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.999 -9.620 -12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -1.570 -7.922 -12.151 1.00 0.00 H new ATOM 889 N SER A 972 -1.663 -9.261 -7.204 1.00 0.00 N ATOM 890 CA SER A 972 -1.255 -9.706 -5.882 1.00 0.00 C ATOM 891 C SER A 972 -2.396 -10.473 -5.212 1.00 0.00 C ATOM 892 O SER A 972 -2.157 -11.340 -4.373 1.00 0.00 O ATOM 893 CB SER A 972 -0.827 -8.523 -5.011 1.00 0.00 C ATOM 894 OG SER A 972 0.271 -8.852 -4.164 1.00 0.00 O ATOM 0 H SER A 972 -2.034 -8.312 -7.239 1.00 0.00 H new ATOM 0 HA SER A 972 -0.397 -10.369 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.553 -7.683 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 972 -1.670 -8.198 -4.401 1.00 0.00 H new ATOM 0 HG SER A 972 0.138 -8.444 -3.283 1.00 0.00 H new ATOM 900 N LEU A 973 -3.612 -10.126 -5.608 1.00 0.00 N ATOM 901 CA LEU A 973 -4.791 -10.772 -5.056 1.00 0.00 C ATOM 902 C LEU A 973 -4.535 -12.276 -4.937 1.00 0.00 C ATOM 903 O LEU A 973 -4.740 -12.861 -3.875 1.00 0.00 O ATOM 904 CB LEU A 973 -6.030 -10.422 -5.884 1.00 0.00 C ATOM 905 CG LEU A 973 -7.228 -9.881 -5.102 1.00 0.00 C ATOM 906 CD1 LEU A 973 -8.546 -10.342 -5.728 1.00 0.00 C ATOM 907 CD2 LEU A 973 -7.133 -10.259 -3.622 1.00 0.00 C ATOM 0 H LEU A 973 -3.806 -9.406 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.993 -10.403 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.746 -9.682 -6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -6.346 -11.315 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 973 -7.209 -8.793 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -9.381 -9.943 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -8.607 -9.981 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.590 -11.431 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.997 -9.862 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -7.113 -11.344 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -6.221 -9.840 -3.197 1.00 0.00 H new ATOM 919 N PRO A 974 -4.080 -12.873 -6.071 1.00 0.00 N ATOM 920 CA PRO A 974 -3.794 -14.297 -6.103 1.00 0.00 C ATOM 921 C PRO A 974 -2.487 -14.611 -5.372 1.00 0.00 C ATOM 922 O PRO A 974 -2.376 -15.639 -4.705 1.00 0.00 O ATOM 923 CB PRO A 974 -3.748 -14.655 -7.580 1.00 0.00 C ATOM 924 CG PRO A 974 -3.549 -13.343 -8.321 1.00 0.00 C ATOM 925 CD PRO A 974 -3.826 -12.210 -7.347 1.00 0.00 C ATOM 0 HA PRO A 974 -4.549 -14.889 -5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.933 -15.349 -7.788 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.671 -15.144 -7.892 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.532 -13.274 -8.708 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -4.221 -13.283 -9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.977 -11.530 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.684 -11.617 -7.663 1.00 0.00 H new ATOM 933 N VAL A 975 -1.531 -13.706 -5.521 1.00 0.00 N ATOM 934 CA VAL A 975 -0.236 -13.873 -4.882 1.00 0.00 C ATOM 935 C VAL A 975 -0.441 -14.269 -3.419 1.00 0.00 C ATOM 936 O VAL A 975 0.359 -15.014 -2.855 1.00 0.00 O ATOM 937 CB VAL A 975 0.597 -12.600 -5.047 1.00 0.00 C ATOM 938 CG1 VAL A 975 1.711 -12.535 -4.000 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.168 -12.497 -6.462 1.00 0.00 C ATOM 0 H VAL A 975 -1.627 -12.855 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 975 0.325 -14.676 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 975 -0.062 -11.746 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.288 -11.621 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.273 -12.539 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.367 -13.399 -4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 975 1.756 -11.583 -6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.805 -13.359 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.351 -12.475 -7.183 1.00 0.00 H new ATOM 949 N LEU A 976 -1.518 -13.752 -2.845 1.00 0.00 N ATOM 950 CA LEU A 976 -1.839 -14.042 -1.458 1.00 0.00 C ATOM 951 C LEU A 976 -3.081 -14.932 -1.401 1.00 0.00 C ATOM 952 O LEU A 976 -3.989 -14.791 -2.220 1.00 0.00 O ATOM 953 CB LEU A 976 -1.974 -12.745 -0.657 1.00 0.00 C ATOM 954 CG LEU A 976 -0.821 -11.749 -0.793 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.529 -12.443 -0.597 1.00 0.00 C ATOM 956 CD2 LEU A 976 -0.894 -11.004 -2.127 1.00 0.00 C ATOM 0 H LEU A 976 -2.179 -13.134 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 976 -1.028 -14.597 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.895 -12.248 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.083 -13.002 0.397 1.00 0.00 H new ATOM 0 HG LEU A 976 -0.918 -11.004 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.332 -11.713 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.568 -12.889 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.650 -13.222 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -0.063 -10.302 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -0.836 -11.720 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -1.836 -10.458 -2.188 1.00 0.00 H new ATOM 968 N PRO A 977 -3.083 -15.854 -0.401 1.00 0.00 N ATOM 969 CA PRO A 977 -4.199 -16.768 -0.227 1.00 0.00 C ATOM 970 C PRO A 977 -5.404 -16.051 0.385 1.00 0.00 C ATOM 971 O PRO A 977 -5.411 -14.826 0.497 1.00 0.00 O ATOM 972 CB PRO A 977 -3.661 -17.883 0.654 1.00 0.00 C ATOM 973 CG PRO A 977 -2.415 -17.324 1.320 1.00 0.00 C ATOM 974 CD PRO A 977 -2.026 -16.051 0.586 1.00 0.00 C ATOM 0 HA PRO A 977 -4.567 -17.168 -1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.399 -18.184 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.424 -18.768 0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -2.606 -17.115 2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -1.603 -18.050 1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -1.960 -15.204 1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.052 -16.152 0.108 1.00 0.00 H new ATOM 982 N ALA A 978 -6.395 -16.845 0.765 1.00 0.00 N ATOM 983 CA ALA A 978 -7.602 -16.301 1.363 1.00 0.00 C ATOM 984 C ALA A 978 -7.234 -15.524 2.629 1.00 0.00 C ATOM 985 O ALA A 978 -6.055 -15.345 2.931 1.00 0.00 O ATOM 986 CB ALA A 978 -8.589 -17.436 1.642 1.00 0.00 C ATOM 0 H ALA A 978 -6.386 -17.861 0.670 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.089 -15.605 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -9.495 -17.028 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -8.841 -17.937 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.135 -18.152 2.327 1.00 0.00 H new ATOM 992 N SER A 979 -8.265 -15.084 3.336 1.00 0.00 N ATOM 993 CA SER A 979 -8.064 -14.331 4.562 1.00 0.00 C ATOM 994 C SER A 979 -7.874 -12.848 4.240 1.00 0.00 C ATOM 995 O SER A 979 -8.449 -11.986 4.903 1.00 0.00 O ATOM 996 CB SER A 979 -6.862 -14.863 5.345 1.00 0.00 C ATOM 997 OG SER A 979 -7.124 -14.930 6.744 1.00 0.00 O ATOM 0 H SER A 979 -9.242 -15.235 3.083 1.00 0.00 H new ATOM 0 HA SER A 979 -8.950 -14.450 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 979 -6.600 -15.855 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 979 -6.000 -14.220 5.168 1.00 0.00 H new ATOM 0 HG SER A 979 -6.328 -14.645 7.240 1.00 0.00 H new ATOM 1003 N THR A 980 -7.066 -12.595 3.221 1.00 0.00 N ATOM 1004 CA THR A 980 -6.793 -11.231 2.803 1.00 0.00 C ATOM 1005 C THR A 980 -7.414 -10.959 1.431 1.00 0.00 C ATOM 1006 O THR A 980 -6.800 -10.309 0.586 1.00 0.00 O ATOM 1007 CB THR A 980 -5.278 -11.020 2.836 1.00 0.00 C ATOM 1008 OG1 THR A 980 -5.112 -9.638 2.533 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.561 -11.741 1.693 1.00 0.00 C ATOM 0 H THR A 980 -6.591 -13.312 2.672 1.00 0.00 H new ATOM 0 HA THR A 980 -7.251 -10.511 3.481 1.00 0.00 H new ATOM 0 HB THR A 980 -4.884 -11.371 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 980 -4.158 -9.415 2.535 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.489 -11.558 1.763 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.752 -12.812 1.762 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.931 -11.367 0.738 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.623 -11.470 1.253 1.00 0.00 N ATOM 1018 CA HIS A 981 -9.334 -11.291 -0.002 1.00 0.00 C ATOM 1019 C HIS A 981 -10.053 -9.940 0.004 1.00 0.00 C ATOM 1020 O HIS A 981 -9.532 -8.953 -0.512 1.00 0.00 O ATOM 1021 CB HIS A 981 -10.279 -12.465 -0.263 1.00 0.00 C ATOM 1022 CG HIS A 981 -9.637 -13.619 -0.995 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -10.363 -14.684 -1.500 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -8.331 -13.864 -1.302 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -9.522 -15.526 -2.081 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -8.262 -15.016 -1.957 1.00 0.00 N ATOM 0 H HIS A 981 -9.129 -12.008 1.957 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.624 -11.282 -0.829 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.668 -12.824 0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -11.132 -12.110 -0.842 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -7.494 -13.228 -1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -9.787 -16.453 -2.567 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -7.408 -15.449 -2.310 1.00 0.00 H new ATOM 1034 N ARG A 982 -11.239 -9.940 0.595 1.00 0.00 N ATOM 1035 CA ARG A 982 -12.035 -8.728 0.675 1.00 0.00 C ATOM 1036 C ARG A 982 -11.235 -7.611 1.350 1.00 0.00 C ATOM 1037 O ARG A 982 -11.087 -6.525 0.793 1.00 0.00 O ATOM 1038 CB ARG A 982 -13.326 -8.967 1.460 1.00 0.00 C ATOM 1039 CG ARG A 982 -14.116 -7.667 1.625 1.00 0.00 C ATOM 1040 CD ARG A 982 -13.997 -7.131 3.053 1.00 0.00 C ATOM 1041 NE ARG A 982 -15.223 -6.386 3.418 1.00 0.00 N ATOM 1042 CZ ARG A 982 -16.364 -6.965 3.815 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -16.443 -8.300 3.901 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -17.426 -6.210 4.126 1.00 0.00 N ATOM 0 H ARG A 982 -11.668 -10.761 1.023 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.292 -8.433 -0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -13.939 -9.706 0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -13.089 -9.379 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -13.747 -6.921 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -15.165 -7.841 1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -13.842 -7.956 3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -13.127 -6.479 3.134 1.00 0.00 H new ATOM 0 HE ARG A 982 -15.197 -5.368 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -15.634 -8.875 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -17.312 -8.741 4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -17.366 -5.194 4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -18.295 -6.651 4.428 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.740 -7.918 2.540 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.959 -6.955 3.297 1.00 0.00 C ATOM 1060 C GLU A 983 -9.016 -6.189 2.367 1.00 0.00 C ATOM 1061 O GLU A 983 -8.875 -4.973 2.485 1.00 0.00 O ATOM 1062 CB GLU A 983 -9.183 -7.641 4.422 1.00 0.00 C ATOM 1063 CG GLU A 983 -9.259 -6.828 5.716 1.00 0.00 C ATOM 1064 CD GLU A 983 -9.381 -7.746 6.934 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -8.790 -8.847 6.877 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -10.061 -7.327 7.895 1.00 0.00 O ATOM 0 H GLU A 983 -10.865 -8.821 2.999 1.00 0.00 H new ATOM 0 HA GLU A 983 -10.643 -6.242 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -9.587 -8.639 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -8.141 -7.765 4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -8.369 -6.207 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -10.115 -6.154 5.677 1.00 0.00 H new ATOM 1073 N ILE A 984 -8.394 -6.933 1.464 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.468 -6.339 0.515 1.00 0.00 C ATOM 1075 C ILE A 984 -8.234 -5.403 -0.421 1.00 0.00 C ATOM 1076 O ILE A 984 -7.790 -4.288 -0.689 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.677 -7.427 -0.214 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.236 -7.494 0.296 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.740 -7.228 -1.730 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.523 -8.738 -0.237 1.00 0.00 C ATOM 0 H ILE A 984 -8.513 -7.942 1.370 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.726 -5.733 1.035 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.140 -8.389 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.695 -6.600 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.232 -7.507 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -6.170 -8.015 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -7.778 -7.271 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -6.317 -6.257 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.501 -8.761 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.053 -9.631 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.507 -8.709 -1.327 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.371 -5.892 -0.894 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.204 -5.113 -1.795 1.00 0.00 C ATOM 1094 C GLU A 985 -10.652 -3.817 -1.116 1.00 0.00 C ATOM 1095 O GLU A 985 -10.747 -2.774 -1.763 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.408 -5.927 -2.270 1.00 0.00 C ATOM 1097 CG GLU A 985 -11.664 -5.707 -3.763 1.00 0.00 C ATOM 1098 CD GLU A 985 -12.762 -4.664 -3.983 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.912 -4.960 -3.594 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -12.425 -3.594 -4.534 1.00 0.00 O ATOM 0 H GLU A 985 -9.735 -6.818 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.612 -4.855 -2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.234 -6.986 -2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.292 -5.642 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -10.745 -5.381 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -11.954 -6.649 -4.229 1.00 0.00 H new ATOM 1107 N MET A 986 -10.915 -3.924 0.178 1.00 0.00 N ATOM 1108 CA MET A 986 -11.350 -2.773 0.951 1.00 0.00 C ATOM 1109 C MET A 986 -10.177 -1.837 1.249 1.00 0.00 C ATOM 1110 O MET A 986 -10.340 -0.618 1.264 1.00 0.00 O ATOM 1111 CB MET A 986 -11.972 -3.247 2.266 1.00 0.00 C ATOM 1112 CG MET A 986 -13.464 -2.911 2.320 1.00 0.00 C ATOM 1113 SD MET A 986 -13.774 -1.715 3.608 1.00 0.00 S ATOM 1114 CE MET A 986 -12.980 -2.529 4.984 1.00 0.00 C ATOM 0 H MET A 986 -10.835 -4.790 0.711 1.00 0.00 H new ATOM 0 HA MET A 986 -12.088 -2.224 0.366 1.00 0.00 H new ATOM 0 HB2 MET A 986 -11.834 -4.323 2.370 1.00 0.00 H new ATOM 0 HB3 MET A 986 -11.459 -2.777 3.105 1.00 0.00 H new ATOM 0 HG2 MET A 986 -13.791 -2.515 1.358 1.00 0.00 H new ATOM 0 HG3 MET A 986 -14.043 -3.816 2.506 1.00 0.00 H new ATOM 0 HE1 MET A 986 -13.549 -2.342 5.895 1.00 0.00 H new ATOM 0 HE2 MET A 986 -12.938 -3.602 4.797 1.00 0.00 H new ATOM 0 HE3 MET A 986 -11.968 -2.141 5.102 1.00 0.00 H new ATOM 1124 N ALA A 987 -9.022 -2.443 1.478 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.822 -1.678 1.775 1.00 0.00 C ATOM 1126 C ALA A 987 -7.432 -0.853 0.547 1.00 0.00 C ATOM 1127 O ALA A 987 -6.713 0.138 0.663 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.707 -2.629 2.217 1.00 0.00 C ATOM 0 H ALA A 987 -8.891 -3.454 1.464 1.00 0.00 H new ATOM 0 HA ALA A 987 -8.002 -0.983 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.807 -2.056 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -7.023 -3.170 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.496 -3.339 1.417 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.923 -1.293 -0.603 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.634 -0.608 -1.851 1.00 0.00 C ATOM 1136 C GLN A 988 -8.526 0.627 -1.997 1.00 0.00 C ATOM 1137 O GLN A 988 -8.049 1.703 -2.355 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.802 -1.550 -3.045 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.582 -2.460 -3.201 1.00 0.00 C ATOM 1140 CD GLN A 988 -5.622 -1.914 -4.260 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -5.599 -2.353 -5.399 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -4.835 -0.935 -3.824 1.00 0.00 N ATOM 0 H GLN A 988 -8.519 -2.115 -0.696 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.594 -0.281 -1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.698 -2.156 -2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -7.944 -0.967 -3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -6.064 -2.547 -2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -6.905 -3.463 -3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -4.906 -0.615 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -4.160 -0.504 -4.456 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.805 0.431 -1.712 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.768 1.515 -1.808 1.00 0.00 C ATOM 1153 C LYS A 989 -10.406 2.603 -0.795 1.00 0.00 C ATOM 1154 O LYS A 989 -10.519 3.792 -1.089 1.00 0.00 O ATOM 1155 CB LYS A 989 -12.193 0.981 -1.654 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.217 2.112 -1.762 1.00 0.00 C ATOM 1157 CD LYS A 989 -13.392 2.825 -0.420 1.00 0.00 C ATOM 1158 CE LYS A 989 -14.759 2.514 0.193 1.00 0.00 C ATOM 1159 NZ LYS A 989 -14.615 1.594 1.343 1.00 0.00 N ATOM 0 H LYS A 989 -10.197 -0.462 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.729 1.973 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.390 0.233 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.296 0.483 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -12.895 2.828 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -14.175 1.710 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -12.603 2.515 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -13.289 3.901 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.237 3.438 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.408 2.066 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -15.552 1.394 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -14.178 0.706 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -14.013 2.035 2.067 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.978 2.157 0.377 1.00 0.00 N ATOM 1174 CA LEU A 990 -9.598 3.078 1.435 1.00 0.00 C ATOM 1175 C LEU A 990 -8.430 3.943 0.958 1.00 0.00 C ATOM 1176 O LEU A 990 -8.448 5.162 1.122 1.00 0.00 O ATOM 1177 CB LEU A 990 -9.311 2.317 2.731 1.00 0.00 C ATOM 1178 CG LEU A 990 -9.812 2.972 4.019 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -9.467 2.117 5.240 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -9.280 4.401 4.150 1.00 0.00 C ATOM 0 H LEU A 990 -9.886 1.170 0.617 1.00 0.00 H new ATOM 0 HA LEU A 990 -10.422 3.754 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -9.758 1.326 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -8.234 2.175 2.815 1.00 0.00 H new ATOM 0 HG LEU A 990 -10.899 3.036 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -9.835 2.606 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -9.935 1.137 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -8.386 1.998 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -9.651 4.844 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -8.190 4.383 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -9.619 4.995 3.301 1.00 0.00 H new ATOM 1192 N LEU A 991 -7.442 3.278 0.377 1.00 0.00 N ATOM 1193 CA LEU A 991 -6.267 3.970 -0.125 1.00 0.00 C ATOM 1194 C LEU A 991 -6.705 5.076 -1.087 1.00 0.00 C ATOM 1195 O LEU A 991 -6.321 6.233 -0.925 1.00 0.00 O ATOM 1196 CB LEU A 991 -5.280 2.975 -0.739 1.00 0.00 C ATOM 1197 CG LEU A 991 -4.054 3.583 -1.423 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -3.289 4.498 -0.466 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -3.158 2.491 -2.012 1.00 0.00 C ATOM 0 H LEU A 991 -7.431 2.267 0.243 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.730 4.452 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -4.937 2.302 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.814 2.367 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 991 -4.397 4.201 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.422 4.917 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.941 5.307 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.957 3.924 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -2.294 2.949 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -2.821 1.828 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.720 1.917 -2.748 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.503 4.681 -2.068 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.997 5.624 -3.057 1.00 0.00 C ATOM 1213 C ASN A 992 -8.738 6.759 -2.347 1.00 0.00 C ATOM 1214 O ASN A 992 -8.338 7.919 -2.439 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.976 4.950 -4.020 1.00 0.00 C ATOM 1216 CG ASN A 992 -9.010 5.678 -5.366 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -9.709 6.660 -5.552 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -8.218 5.143 -6.290 1.00 0.00 N ATOM 0 H ASN A 992 -7.820 3.720 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 992 -7.143 6.003 -3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.685 3.911 -4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.974 4.941 -3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -8.170 5.556 -7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -7.659 4.320 -6.067 1.00 0.00 H new ATOM 1225 N SER A 993 -9.804 6.385 -1.655 1.00 0.00 N ATOM 1226 CA SER A 993 -10.604 7.357 -0.930 1.00 0.00 C ATOM 1227 C SER A 993 -9.692 8.348 -0.203 1.00 0.00 C ATOM 1228 O SER A 993 -9.778 9.554 -0.427 1.00 0.00 O ATOM 1229 CB SER A 993 -11.539 6.668 0.066 1.00 0.00 C ATOM 1230 OG SER A 993 -12.864 7.189 0.004 1.00 0.00 O ATOM 0 H SER A 993 -10.132 5.422 -1.581 1.00 0.00 H new ATOM 0 HA SER A 993 -11.218 7.898 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 993 -11.561 5.598 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 993 -11.148 6.792 1.076 1.00 0.00 H new ATOM 0 HG SER A 993 -13.430 6.722 0.654 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.841 7.802 0.652 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.914 8.623 1.413 1.00 0.00 C ATOM 1238 C ASP A 994 -6.994 9.373 0.448 1.00 0.00 C ATOM 1239 O ASP A 994 -6.537 10.474 0.750 1.00 0.00 O ATOM 1240 CB ASP A 994 -7.040 7.763 2.328 1.00 0.00 C ATOM 1241 CG ASP A 994 -7.230 8.014 3.825 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.505 9.182 4.175 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -7.095 7.031 4.587 1.00 0.00 O ATOM 0 H ASP A 994 -8.773 6.801 0.835 1.00 0.00 H new ATOM 0 HA ASP A 994 -8.497 9.317 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -7.247 6.713 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.994 7.937 2.075 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.749 8.746 -0.694 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.891 9.341 -1.704 1.00 0.00 C ATOM 1250 C LEU A 995 -6.578 10.577 -2.287 1.00 0.00 C ATOM 1251 O LEU A 995 -6.033 11.679 -2.232 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.502 8.300 -2.756 1.00 0.00 C ATOM 1253 CG LEU A 995 -5.427 8.802 -4.200 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -4.398 9.925 -4.338 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -5.150 7.649 -5.167 1.00 0.00 C ATOM 0 H LEU A 995 -7.130 7.833 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.954 9.677 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.531 7.884 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -6.222 7.483 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 995 -6.397 9.221 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -4.365 10.263 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -4.679 10.758 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.415 9.556 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -5.102 8.033 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -4.200 7.179 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -5.950 6.913 -5.094 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.765 10.354 -2.833 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.532 11.436 -3.425 1.00 0.00 C ATOM 1269 C ALA A 996 -8.516 12.642 -2.483 1.00 0.00 C ATOM 1270 O ALA A 996 -8.265 13.767 -2.914 1.00 0.00 O ATOM 1271 CB ALA A 996 -9.952 10.951 -3.726 1.00 0.00 C ATOM 0 H ALA A 996 -8.214 9.439 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.087 11.749 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.527 11.763 -4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -9.910 10.113 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.431 10.631 -2.801 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.786 12.367 -1.216 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.806 13.415 -0.210 1.00 0.00 C ATOM 1279 C GLU A 997 -7.482 14.182 -0.217 1.00 0.00 C ATOM 1280 O GLU A 997 -7.461 15.394 -0.009 1.00 0.00 O ATOM 1281 CB GLU A 997 -9.099 12.839 1.177 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.784 13.876 2.068 1.00 0.00 C ATOM 1283 CD GLU A 997 -11.278 13.970 1.753 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -12.023 13.112 2.273 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.641 14.898 0.998 1.00 0.00 O ATOM 0 H GLU A 997 -8.993 11.433 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.608 14.111 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.735 11.959 1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -8.169 12.512 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -9.646 13.608 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -9.317 14.850 1.924 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.408 13.443 -0.457 1.00 0.00 N ATOM 1293 CA LEU A 998 -5.083 14.038 -0.493 1.00 0.00 C ATOM 1294 C LEU A 998 -4.943 14.884 -1.761 1.00 0.00 C ATOM 1295 O LEU A 998 -4.472 16.019 -1.705 1.00 0.00 O ATOM 1296 CB LEU A 998 -4.007 12.960 -0.351 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.566 13.461 -0.246 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.642 12.365 0.290 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -2.079 14.015 -1.586 1.00 0.00 C ATOM 0 H LEU A 998 -6.429 12.438 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.943 14.708 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.230 12.367 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -4.076 12.290 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.542 14.282 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.623 12.747 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -1.978 12.058 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -1.666 11.508 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -1.052 14.364 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -2.122 13.230 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.716 14.846 -1.889 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.361 14.298 -2.873 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.288 14.983 -4.153 1.00 0.00 C ATOM 1313 C ILE A 999 -5.931 16.365 -4.023 1.00 0.00 C ATOM 1314 O ILE A 999 -5.349 17.366 -4.437 1.00 0.00 O ATOM 1315 CB ILE A 999 -5.900 14.121 -5.258 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.184 12.773 -5.362 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -5.912 14.868 -6.593 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.982 12.862 -6.305 1.00 0.00 C ATOM 0 H ILE A 999 -5.751 13.357 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.249 15.140 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.938 13.915 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -4.852 12.456 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.879 12.015 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.352 14.233 -7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.501 15.780 -6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -4.891 15.125 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.491 11.891 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -4.320 13.156 -7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.278 13.603 -5.928 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.124 16.376 -3.447 1.00 0.00 N ATOM 1331 CA ASN A1000 -7.853 17.618 -3.258 1.00 0.00 C ATOM 1332 C ASN A1000 -6.994 18.590 -2.447 1.00 0.00 C ATOM 1333 O ASN A1000 -6.745 19.715 -2.880 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.155 17.382 -2.489 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.147 18.521 -2.728 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.030 19.296 -3.663 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.130 18.580 -1.833 1.00 0.00 N ATOM 0 H ASN A1000 -7.604 15.544 -3.105 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.085 18.026 -4.242 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.599 16.437 -2.801 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -8.942 17.298 -1.423 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -11.844 19.305 -1.906 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -11.170 17.900 -1.074 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.564 18.122 -1.285 1.00 0.00 N ATOM 1345 CA LYS A1001 -5.738 18.935 -0.409 1.00 0.00 C ATOM 1346 C LYS A1001 -4.687 19.670 -1.244 1.00 0.00 C ATOM 1347 O LYS A1001 -4.348 20.816 -0.953 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.145 18.082 0.713 1.00 0.00 C ATOM 1349 CG LYS A1001 -6.216 17.701 1.737 1.00 0.00 C ATOM 1350 CD LYS A1001 -6.048 18.502 3.030 1.00 0.00 C ATOM 1351 CE LYS A1001 -7.343 18.507 3.844 1.00 0.00 C ATOM 1352 NZ LYS A1001 -8.114 19.744 3.583 1.00 0.00 N ATOM 0 H LYS A1001 -6.772 17.189 -0.929 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.342 19.695 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -4.701 17.179 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.343 18.631 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -7.206 17.883 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.153 16.635 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -5.242 18.073 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -5.759 19.526 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -7.945 17.635 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -7.112 18.433 4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -8.990 19.732 4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -7.544 20.571 3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -8.350 19.799 2.572 1.00 0.00 H new ATOM 1366 N MET A1002 -4.202 18.980 -2.266 1.00 0.00 N ATOM 1367 CA MET A1002 -3.197 19.553 -3.145 1.00 0.00 C ATOM 1368 C MET A1002 -3.834 20.504 -4.160 1.00 0.00 C ATOM 1369 O MET A1002 -3.332 21.604 -4.385 1.00 0.00 O ATOM 1370 CB MET A1002 -2.466 18.431 -3.885 1.00 0.00 C ATOM 1371 CG MET A1002 -1.516 18.998 -4.942 1.00 0.00 C ATOM 1372 SD MET A1002 -2.010 18.448 -6.566 1.00 0.00 S ATOM 1373 CE MET A1002 -2.633 19.980 -7.237 1.00 0.00 C ATOM 0 H MET A1002 -4.486 18.030 -2.505 1.00 0.00 H new ATOM 0 HA MET A1002 -2.491 20.120 -2.538 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.904 17.827 -3.173 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.192 17.771 -4.360 1.00 0.00 H new ATOM 0 HG2 MET A1002 -1.522 20.087 -4.901 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.495 18.676 -4.735 1.00 0.00 H new ATOM 0 HE1 MET A1002 -3.692 19.871 -7.469 1.00 0.00 H new ATOM 0 HE2 MET A1002 -2.502 20.778 -6.506 1.00 0.00 H new ATOM 0 HE3 MET A1002 -2.086 20.228 -8.146 1.00 0.00 H new ATOM 1383 N LYS A1003 -4.930 20.045 -4.746 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.641 20.841 -5.732 1.00 0.00 C ATOM 1385 C LYS A1003 -5.968 22.212 -5.135 1.00 0.00 C ATOM 1386 O LYS A1003 -6.082 23.198 -5.861 1.00 0.00 O ATOM 1387 CB LYS A1003 -6.868 20.086 -6.247 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.546 19.332 -7.539 1.00 0.00 C ATOM 1389 CD LYS A1003 -6.599 20.269 -8.748 1.00 0.00 C ATOM 1390 CE LYS A1003 -8.041 20.478 -9.216 1.00 0.00 C ATOM 1391 NZ LYS A1003 -8.103 20.535 -10.693 1.00 0.00 N ATOM 0 H LYS A1003 -5.343 19.132 -4.557 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.013 21.015 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.212 19.383 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -7.683 20.788 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -5.555 18.883 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -7.256 18.516 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -6.154 21.230 -8.488 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -6.005 19.853 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -8.669 19.666 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -8.436 21.402 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -9.088 20.677 -10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -7.519 21.325 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -7.745 19.643 -11.090 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.110 22.229 -3.818 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.421 23.462 -3.115 1.00 0.00 C ATOM 1407 C LEU A1004 -5.120 24.169 -2.733 1.00 0.00 C ATOM 1408 O LEU A1004 -4.953 25.358 -3.001 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.342 23.182 -1.925 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.532 22.260 -2.200 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.155 21.766 -0.893 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.560 22.946 -3.102 1.00 0.00 C ATOM 0 H LEU A1004 -6.015 21.409 -3.219 1.00 0.00 H new ATOM 0 HA LEU A1004 -6.974 24.141 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.746 22.744 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.723 24.134 -1.554 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.169 21.383 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -9.999 21.113 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -8.410 21.214 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.501 22.619 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.395 22.269 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -9.924 23.851 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.094 23.207 -4.052 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.231 23.408 -2.112 1.00 0.00 N ATOM 1425 CA ALA A1005 -2.949 23.947 -1.690 1.00 0.00 C ATOM 1426 C ALA A1005 -2.292 24.669 -2.867 1.00 0.00 C ATOM 1427 O ALA A1005 -1.507 25.596 -2.672 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.076 22.817 -1.139 1.00 0.00 C ATOM 0 H ALA A1005 -4.373 22.422 -1.891 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.084 24.675 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.114 23.221 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.574 22.355 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -1.917 22.068 -1.915 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.636 24.217 -4.064 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.089 24.809 -5.274 1.00 0.00 C ATOM 1436 C GLN A1006 -2.504 26.278 -5.380 1.00 0.00 C ATOM 1437 O GLN A1006 -1.746 27.106 -5.882 1.00 0.00 O ATOM 1438 CB GLN A1006 -2.524 24.025 -6.513 1.00 0.00 C ATOM 1439 CG GLN A1006 -1.701 24.432 -7.736 1.00 0.00 C ATOM 1440 CD GLN A1006 -2.303 25.663 -8.417 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -3.436 26.045 -8.178 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -1.483 26.261 -9.277 1.00 0.00 N ATOM 0 H GLN A1006 -3.287 23.448 -4.222 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.001 24.762 -5.219 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -2.408 22.957 -6.331 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -3.582 24.202 -6.707 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -0.675 24.644 -7.434 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -1.660 23.604 -8.444 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -0.546 25.889 -9.431 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -1.792 27.091 -9.783 1.00 0.00 H new ATOM 1451 N GLN A1007 -3.708 26.556 -4.900 1.00 0.00 N ATOM 1452 CA GLN A1007 -4.233 27.910 -4.935 1.00 0.00 C ATOM 1453 C GLN A1007 -4.113 28.562 -3.555 1.00 0.00 C ATOM 1454 O GLN A1007 -4.034 29.785 -3.447 1.00 0.00 O ATOM 1455 CB GLN A1007 -5.682 27.924 -5.424 1.00 0.00 C ATOM 1456 CG GLN A1007 -6.036 29.273 -6.053 1.00 0.00 C ATOM 1457 CD GLN A1007 -7.367 29.799 -5.512 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -7.460 30.308 -4.407 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -8.389 29.647 -6.350 1.00 0.00 N ATOM 0 H GLN A1007 -4.334 25.866 -4.485 1.00 0.00 H new ATOM 0 HA GLN A1007 -3.640 28.490 -5.642 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -5.831 27.128 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -6.353 27.721 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -5.245 29.994 -5.845 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -6.096 29.168 -7.136 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -8.241 29.212 -7.261 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -9.320 29.965 -6.082 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.104 27.716 -2.536 1.00 0.00 N ATOM 1469 CA TYR A1008 -3.996 28.194 -1.168 1.00 0.00 C ATOM 1470 C TYR A1008 -2.531 28.321 -0.746 1.00 0.00 C ATOM 1471 O TYR A1008 -2.217 28.279 0.443 1.00 0.00 O ATOM 1472 CB TYR A1008 -4.675 27.136 -0.296 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.190 27.313 -0.171 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -6.706 28.243 0.707 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -7.040 26.541 -0.937 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.132 28.409 0.825 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.466 26.707 -0.819 1.00 0.00 C ATOM 1478 CZ TYR A1008 -8.941 27.633 0.056 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.288 27.790 0.167 1.00 0.00 O ATOM 0 H TYR A1008 -4.170 26.702 -2.630 1.00 0.00 H new ATOM 0 HA TYR A1008 -4.457 29.177 -1.068 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.468 26.150 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.233 27.162 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -6.041 28.847 1.306 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.636 25.813 -1.625 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -8.549 29.133 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -9.142 26.109 -1.412 1.00 0.00 H new ATOM 0 HH TYR A1008 -10.741 27.171 -0.443 1.00 0.00 H new ATOM 1489 N VAL A1009 -1.672 28.474 -1.743 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.247 28.607 -1.490 1.00 0.00 C ATOM 1491 C VAL A1009 0.190 30.040 -1.799 1.00 0.00 C ATOM 1492 O VAL A1009 0.917 30.653 -1.019 1.00 0.00 O ATOM 1493 CB VAL A1009 0.527 27.559 -2.293 1.00 0.00 C ATOM 1494 CG1 VAL A1009 0.122 27.590 -3.768 1.00 0.00 C ATOM 1495 CG2 VAL A1009 2.037 27.753 -2.135 1.00 0.00 C ATOM 0 H VAL A1009 -1.935 28.509 -2.728 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.026 28.420 -0.439 1.00 0.00 H new ATOM 0 HB VAL A1009 0.272 26.577 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A1009 0.687 26.836 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.944 27.381 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A1009 0.335 28.575 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A1009 2.564 26.996 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A1009 2.316 28.744 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A1009 2.308 27.658 -1.084 1.00 0.00 H new ATOM 1505 N MET A1010 -0.272 30.532 -2.939 1.00 0.00 N ATOM 1506 CA MET A1010 0.062 31.882 -3.361 1.00 0.00 C ATOM 1507 C MET A1010 -0.602 32.920 -2.454 1.00 0.00 C ATOM 1508 O MET A1010 -0.252 34.099 -2.494 1.00 0.00 O ATOM 1509 CB MET A1010 -0.400 32.095 -4.804 1.00 0.00 C ATOM 1510 CG MET A1010 -1.885 31.760 -4.960 1.00 0.00 C ATOM 1511 SD MET A1010 -2.823 33.254 -5.230 1.00 0.00 S ATOM 1512 CE MET A1010 -3.954 33.165 -3.852 1.00 0.00 C ATOM 0 H MET A1010 -0.875 30.020 -3.583 1.00 0.00 H new ATOM 0 HA MET A1010 1.143 32.007 -3.294 1.00 0.00 H new ATOM 0 HB2 MET A1010 -0.224 33.130 -5.097 1.00 0.00 H new ATOM 0 HB3 MET A1010 0.190 31.470 -5.474 1.00 0.00 H new ATOM 0 HG2 MET A1010 -2.026 31.076 -5.797 1.00 0.00 H new ATOM 0 HG3 MET A1010 -2.247 31.250 -4.067 1.00 0.00 H new ATOM 0 HE1 MET A1010 -4.979 33.224 -4.218 1.00 0.00 H new ATOM 0 HE2 MET A1010 -3.811 32.222 -3.324 1.00 0.00 H new ATOM 0 HE3 MET A1010 -3.764 33.994 -3.171 1.00 0.00 H new ATOM 1522 N THR A1011 -1.547 32.445 -1.657 1.00 0.00 N ATOM 1523 CA THR A1011 -2.263 33.317 -0.742 1.00 0.00 C ATOM 1524 C THR A1011 -1.361 33.718 0.427 1.00 0.00 C ATOM 1525 O THR A1011 -0.752 34.786 0.408 1.00 0.00 O ATOM 1526 CB THR A1011 -3.540 32.598 -0.305 1.00 0.00 C ATOM 1527 OG1 THR A1011 -4.482 32.909 -1.329 1.00 0.00 O ATOM 1528 CG2 THR A1011 -4.151 33.205 0.960 1.00 0.00 C ATOM 0 H THR A1011 -1.834 31.467 -1.626 1.00 0.00 H new ATOM 0 HA THR A1011 -2.549 34.250 -1.227 1.00 0.00 H new ATOM 0 HB THR A1011 -3.322 31.544 -0.133 1.00 0.00 H new ATOM 0 HG1 THR A1011 -5.340 32.480 -1.126 1.00 0.00 H new ATOM 0 HG21 THR A1011 -5.055 32.657 1.226 1.00 0.00 H new ATOM 0 HG22 THR A1011 -3.433 33.140 1.778 1.00 0.00 H new ATOM 0 HG23 THR A1011 -4.400 34.250 0.778 1.00 0.00 H new ATOM 1536 N SER A1012 -1.304 32.839 1.418 1.00 0.00 N ATOM 1537 CA SER A1012 -0.487 33.088 2.593 1.00 0.00 C ATOM 1538 C SER A1012 -0.574 31.899 3.552 1.00 0.00 C ATOM 1539 O SER A1012 0.413 31.540 4.192 1.00 0.00 O ATOM 1540 CB SER A1012 -0.918 34.374 3.301 1.00 0.00 C ATOM 1541 OG SER A1012 0.199 35.136 3.751 1.00 0.00 O ATOM 0 H SER A1012 -1.811 31.954 1.431 1.00 0.00 H new ATOM 0 HA SER A1012 0.547 33.212 2.271 1.00 0.00 H new ATOM 0 HB2 SER A1012 -1.519 34.978 2.621 1.00 0.00 H new ATOM 0 HB3 SER A1012 -1.553 34.124 4.151 1.00 0.00 H new ATOM 0 HG SER A1012 -0.118 35.950 4.196 1.00 0.00 H new ATOM 1547 N LEU A1013 -1.765 31.322 3.622 1.00 0.00 N ATOM 1548 CA LEU A1013 -1.994 30.181 4.492 1.00 0.00 C ATOM 1549 C LEU A1013 -1.458 28.916 3.820 1.00 0.00 C ATOM 1550 O LEU A1013 -2.174 27.924 3.695 1.00 0.00 O ATOM 1551 CB LEU A1013 -3.471 30.092 4.882 1.00 0.00 C ATOM 1552 CG LEU A1013 -4.468 30.035 3.722 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -4.957 28.605 3.489 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -5.627 31.008 3.948 1.00 0.00 C ATOM 0 H LEU A1013 -2.582 31.624 3.090 1.00 0.00 H new ATOM 0 HA LEU A1013 -1.448 30.300 5.428 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -3.611 29.205 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -3.715 30.954 5.503 1.00 0.00 H new ATOM 0 HG LEU A1013 -3.954 30.351 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -5.664 28.593 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -4.108 27.964 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -5.448 28.237 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -6.321 30.948 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -6.147 30.746 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -5.239 32.024 4.026 1.00 0.00 H new ATOM 1566 N GLN A1014 -0.202 28.993 3.403 1.00 0.00 N ATOM 1567 CA GLN A1014 0.438 27.866 2.746 1.00 0.00 C ATOM 1568 C GLN A1014 0.857 26.818 3.778 1.00 0.00 C ATOM 1569 O GLN A1014 0.405 25.675 3.726 1.00 0.00 O ATOM 1570 CB GLN A1014 1.636 28.326 1.913 1.00 0.00 C ATOM 1571 CG GLN A1014 2.537 27.143 1.549 1.00 0.00 C ATOM 1572 CD GLN A1014 3.844 27.184 2.344 1.00 0.00 C ATOM 1573 OE1 GLN A1014 3.903 27.658 3.466 1.00 0.00 O ATOM 1574 NE2 GLN A1014 4.884 26.662 1.701 1.00 0.00 N ATOM 0 H GLN A1014 0.389 29.818 3.507 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.282 27.410 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.285 28.814 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.209 29.066 2.471 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.014 26.208 1.750 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.756 27.163 0.481 1.00 0.00 H new ATOM 0 HE21 GLN A1014 4.765 26.282 0.762 1.00 0.00 H new ATOM 0 HE22 GLN A1014 5.801 26.642 2.147 1.00 0.00 H new ATOM 1583 N GLN A1015 1.716 27.244 4.692 1.00 0.00 N ATOM 1584 CA GLN A1015 2.202 26.356 5.735 1.00 0.00 C ATOM 1585 C GLN A1015 1.034 25.609 6.382 1.00 0.00 C ATOM 1586 O GLN A1015 1.217 24.531 6.946 1.00 0.00 O ATOM 1587 CB GLN A1015 3.006 27.129 6.782 1.00 0.00 C ATOM 1588 CG GLN A1015 2.394 28.508 7.036 1.00 0.00 C ATOM 1589 CD GLN A1015 2.724 29.003 8.446 1.00 0.00 C ATOM 1590 OE1 GLN A1015 2.980 28.235 9.358 1.00 0.00 O ATOM 1591 NE2 GLN A1015 2.703 30.327 8.572 1.00 0.00 N ATOM 0 H GLN A1015 2.088 28.193 4.732 1.00 0.00 H new ATOM 0 HA GLN A1015 2.869 25.624 5.281 1.00 0.00 H new ATOM 0 HB2 GLN A1015 3.036 26.563 7.713 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.036 27.241 6.444 1.00 0.00 H new ATOM 0 HG2 GLN A1015 2.771 29.218 6.300 1.00 0.00 H new ATOM 0 HG3 GLN A1015 1.313 28.459 6.908 1.00 0.00 H new ATOM 0 HE21 GLN A1015 2.481 30.912 7.767 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.909 30.757 9.474 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.142 26.212 6.280 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.340 25.617 6.848 1.00 0.00 C ATOM 1602 C GLU A1016 -1.749 24.379 6.047 1.00 0.00 C ATOM 1603 O GLU A1016 -1.791 23.274 6.585 1.00 0.00 O ATOM 1604 CB GLU A1016 -2.482 26.633 6.907 1.00 0.00 C ATOM 1605 CG GLU A1016 -3.581 26.168 7.864 1.00 0.00 C ATOM 1606 CD GLU A1016 -4.865 26.975 7.658 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -4.892 28.130 8.134 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -5.790 26.417 7.029 1.00 0.00 O ATOM 0 H GLU A1016 -0.290 27.106 5.813 1.00 0.00 H new ATOM 0 HA GLU A1016 -1.119 25.308 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -2.097 27.600 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -2.899 26.775 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -3.783 25.109 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.241 26.276 8.894 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.039 24.606 4.774 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.443 23.523 3.894 1.00 0.00 C ATOM 1617 C TYR A1017 -1.319 22.497 3.735 1.00 0.00 C ATOM 1618 O TYR A1017 -1.548 21.390 3.252 1.00 0.00 O ATOM 1619 CB TYR A1017 -2.727 24.167 2.536 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.211 24.425 2.267 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -4.787 25.614 2.663 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -4.974 23.467 1.629 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.184 25.857 2.410 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.370 23.710 1.376 1.00 0.00 C ATOM 1625 CZ TYR A1017 -6.906 24.893 1.779 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.226 25.123 1.541 1.00 0.00 O ATOM 0 H TYR A1017 -2.002 25.524 4.331 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.311 23.003 4.299 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.187 25.112 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.333 23.523 1.750 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.191 26.363 3.163 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.523 22.535 1.320 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -6.647 26.784 2.715 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -6.978 22.970 0.877 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.338 26.017 1.155 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.128 22.904 4.150 1.00 0.00 N ATOM 1637 CA LYS A1018 1.033 22.034 4.059 1.00 0.00 C ATOM 1638 C LYS A1018 0.963 20.980 5.165 1.00 0.00 C ATOM 1639 O LYS A1018 1.199 19.798 4.917 1.00 0.00 O ATOM 1640 CB LYS A1018 2.322 22.858 4.075 1.00 0.00 C ATOM 1641 CG LYS A1018 3.172 22.570 2.836 1.00 0.00 C ATOM 1642 CD LYS A1018 2.968 23.647 1.769 1.00 0.00 C ATOM 1643 CE LYS A1018 1.541 23.610 1.218 1.00 0.00 C ATOM 1644 NZ LYS A1018 1.424 22.590 0.151 1.00 0.00 N ATOM 0 H LYS A1018 0.058 23.824 4.550 1.00 0.00 H new ATOM 0 HA LYS A1018 1.035 21.500 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.079 23.920 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.894 22.628 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A1018 4.225 22.524 3.115 1.00 0.00 H new ATOM 0 HG3 LYS A1018 2.908 21.594 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A1018 3.172 24.629 2.195 1.00 0.00 H new ATOM 0 HD3 LYS A1018 3.679 23.498 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A1018 0.840 23.386 2.022 1.00 0.00 H new ATOM 0 HE3 LYS A1018 1.271 24.590 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 0.651 22.850 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 2.317 22.539 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 1.222 21.663 0.577 1.00 0.00 H new ATOM 1658 N LYS A1019 0.637 21.445 6.362 1.00 0.00 N ATOM 1659 CA LYS A1019 0.533 20.557 7.507 1.00 0.00 C ATOM 1660 C LYS A1019 -0.745 19.724 7.387 1.00 0.00 C ATOM 1661 O LYS A1019 -0.914 18.734 8.097 1.00 0.00 O ATOM 1662 CB LYS A1019 0.629 21.351 8.812 1.00 0.00 C ATOM 1663 CG LYS A1019 2.052 21.311 9.374 1.00 0.00 C ATOM 1664 CD LYS A1019 2.867 22.511 8.890 1.00 0.00 C ATOM 1665 CE LYS A1019 3.861 22.097 7.803 1.00 0.00 C ATOM 1666 NZ LYS A1019 4.842 21.127 8.341 1.00 0.00 N ATOM 0 H LYS A1019 0.441 22.426 6.564 1.00 0.00 H new ATOM 0 HA LYS A1019 1.369 19.858 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A1019 0.333 22.385 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -0.067 20.940 9.544 1.00 0.00 H new ATOM 0 HG2 LYS A1019 2.016 21.307 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A1019 2.542 20.387 9.067 1.00 0.00 H new ATOM 0 HD2 LYS A1019 2.196 23.278 8.502 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.404 22.953 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.327 21.655 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A1019 4.381 22.976 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 5.751 21.243 7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.975 21.296 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 4.490 20.159 8.194 1.00 0.00 H new ATOM 1680 N GLN A1020 -1.612 20.156 6.483 1.00 0.00 N ATOM 1681 CA GLN A1020 -2.869 19.463 6.261 1.00 0.00 C ATOM 1682 C GLN A1020 -2.626 18.148 5.517 1.00 0.00 C ATOM 1683 O GLN A1020 -2.836 17.070 6.070 1.00 0.00 O ATOM 1684 CB GLN A1020 -3.857 20.349 5.499 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.404 21.459 6.399 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.658 20.993 7.142 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -6.719 20.810 6.569 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -5.477 20.812 8.447 1.00 0.00 N ATOM 0 H GLN A1020 -1.468 20.978 5.896 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.311 19.233 7.231 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.363 20.789 4.632 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -4.680 19.742 5.123 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.641 21.759 7.118 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -4.638 22.338 5.798 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -4.562 20.983 8.864 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -6.253 20.502 9.031 1.00 0.00 H new ATOM 1697 N MET A1021 -2.187 18.281 4.274 1.00 0.00 N ATOM 1698 CA MET A1021 -1.913 17.117 3.449 1.00 0.00 C ATOM 1699 C MET A1021 -0.977 16.143 4.168 1.00 0.00 C ATOM 1700 O MET A1021 -1.086 14.930 3.995 1.00 0.00 O ATOM 1701 CB MET A1021 -1.272 17.563 2.133 1.00 0.00 C ATOM 1702 CG MET A1021 0.110 18.174 2.375 1.00 0.00 C ATOM 1703 SD MET A1021 1.345 16.887 2.427 1.00 0.00 S ATOM 1704 CE MET A1021 1.264 16.310 0.740 1.00 0.00 C ATOM 0 H MET A1021 -2.014 19.177 3.818 1.00 0.00 H new ATOM 0 HA MET A1021 -2.855 16.606 3.250 1.00 0.00 H new ATOM 0 HB2 MET A1021 -1.184 16.710 1.460 1.00 0.00 H new ATOM 0 HB3 MET A1021 -1.915 18.292 1.640 1.00 0.00 H new ATOM 0 HG2 MET A1021 0.346 18.885 1.583 1.00 0.00 H new ATOM 0 HG3 MET A1021 0.112 18.730 3.313 1.00 0.00 H new ATOM 0 HE1 MET A1021 2.259 16.015 0.408 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.593 15.453 0.680 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.890 17.109 0.100 1.00 0.00 H new ATOM 1714 N LEU A1022 -0.079 16.710 4.959 1.00 0.00 N ATOM 1715 CA LEU A1022 0.875 15.907 5.705 1.00 0.00 C ATOM 1716 C LEU A1022 0.118 14.935 6.611 1.00 0.00 C ATOM 1717 O LEU A1022 0.318 13.724 6.533 1.00 0.00 O ATOM 1718 CB LEU A1022 1.861 16.806 6.455 1.00 0.00 C ATOM 1719 CG LEU A1022 2.874 16.089 7.350 1.00 0.00 C ATOM 1720 CD1 LEU A1022 2.168 15.319 8.468 1.00 0.00 C ATOM 1721 CD2 LEU A1022 3.794 15.187 6.525 1.00 0.00 C ATOM 0 H LEU A1022 0.008 17.716 5.100 1.00 0.00 H new ATOM 0 HA LEU A1022 1.480 15.306 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A1022 2.409 17.401 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.291 17.503 7.070 1.00 0.00 H new ATOM 0 HG LEU A1022 3.504 16.842 7.825 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.910 14.818 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.591 16.013 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.499 14.577 8.032 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.504 14.690 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.198 14.438 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.337 15.790 5.797 1.00 0.00 H new ATOM 1733 N THR A1023 -0.736 15.501 7.451 1.00 0.00 N ATOM 1734 CA THR A1023 -1.525 14.699 8.371 1.00 0.00 C ATOM 1735 C THR A1023 -2.083 13.465 7.660 1.00 0.00 C ATOM 1736 O THR A1023 -1.973 12.349 8.166 1.00 0.00 O ATOM 1737 CB THR A1023 -2.608 15.597 8.972 1.00 0.00 C ATOM 1738 OG1 THR A1023 -1.957 16.850 9.158 1.00 0.00 O ATOM 1739 CG2 THR A1023 -3.006 15.169 10.386 1.00 0.00 C ATOM 0 H THR A1023 -0.899 16.506 7.514 1.00 0.00 H new ATOM 0 HA THR A1023 -0.912 14.315 9.186 1.00 0.00 H new ATOM 0 HB THR A1023 -3.488 15.584 8.329 1.00 0.00 H new ATOM 0 HG1 THR A1023 -2.083 17.405 8.360 1.00 0.00 H new ATOM 0 HG21 THR A1023 -3.777 15.839 10.766 1.00 0.00 H new ATOM 0 HG22 THR A1023 -3.391 14.149 10.363 1.00 0.00 H new ATOM 0 HG23 THR A1023 -2.134 15.213 11.038 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.670 13.707 6.497 1.00 0.00 N ATOM 1748 CA ALA A1024 -3.246 12.630 5.711 1.00 0.00 C ATOM 1749 C ALA A1024 -2.141 11.650 5.310 1.00 0.00 C ATOM 1750 O ALA A1024 -2.304 10.438 5.441 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.974 13.214 4.499 1.00 0.00 C ATOM 0 H ALA A1024 -2.759 14.634 6.080 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.981 12.078 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -4.406 12.405 3.910 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.767 13.880 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -3.268 13.773 3.885 1.00 0.00 H new ATOM 1757 N ALA A1025 -1.042 12.212 4.830 1.00 0.00 N ATOM 1758 CA ALA A1025 0.090 11.403 4.409 1.00 0.00 C ATOM 1759 C ALA A1025 0.478 10.449 5.541 1.00 0.00 C ATOM 1760 O ALA A1025 1.024 9.375 5.293 1.00 0.00 O ATOM 1761 CB ALA A1025 1.245 12.316 3.995 1.00 0.00 C ATOM 0 H ALA A1025 -0.911 13.218 4.723 1.00 0.00 H new ATOM 0 HA ALA A1025 -0.173 10.797 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.094 11.709 3.679 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.927 12.953 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.538 12.938 4.841 1.00 0.00 H new ATOM 1767 N HIS A1026 0.181 10.876 6.760 1.00 0.00 N ATOM 1768 CA HIS A1026 0.492 10.073 7.930 1.00 0.00 C ATOM 1769 C HIS A1026 -0.375 8.813 7.933 1.00 0.00 C ATOM 1770 O HIS A1026 0.144 7.698 7.967 1.00 0.00 O ATOM 1771 CB HIS A1026 0.343 10.899 9.210 1.00 0.00 C ATOM 1772 CG HIS A1026 1.416 10.636 10.239 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.741 10.418 9.901 1.00 0.00 N ATOM 1774 CD2 HIS A1026 1.348 10.559 11.599 1.00 0.00 C ATOM 1775 CE1 HIS A1026 3.429 10.220 11.015 1.00 0.00 C ATOM 1776 NE2 HIS A1026 2.564 10.307 12.066 1.00 0.00 N ATOM 0 H HIS A1026 -0.272 11.767 6.962 1.00 0.00 H new ATOM 0 HA HIS A1026 1.534 9.754 7.891 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.355 11.958 8.950 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.630 10.690 9.654 1.00 0.00 H new ATOM 0 HD2 HIS A1026 0.456 10.682 12.195 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.489 10.024 11.080 1.00 0.00 H new ATOM 0 HE2 HIS A1026 2.811 10.196 13.049 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.682 9.031 7.898 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.626 7.927 7.897 1.00 0.00 C ATOM 1786 C ALA A1027 -2.558 7.206 6.549 1.00 0.00 C ATOM 1787 O ALA A1027 -2.711 5.987 6.484 1.00 0.00 O ATOM 1788 CB ALA A1027 -4.028 8.453 8.207 1.00 0.00 C ATOM 0 H ALA A1027 -2.109 9.957 7.870 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.372 7.204 8.672 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.736 7.624 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -4.029 8.930 9.187 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -4.320 9.180 7.449 1.00 0.00 H new ATOM 1794 N LEU A1028 -2.330 7.990 5.506 1.00 0.00 N ATOM 1795 CA LEU A1028 -2.240 7.442 4.163 1.00 0.00 C ATOM 1796 C LEU A1028 -1.078 6.449 4.098 1.00 0.00 C ATOM 1797 O LEU A1028 -1.286 5.259 3.866 1.00 0.00 O ATOM 1798 CB LEU A1028 -2.146 8.567 3.130 1.00 0.00 C ATOM 1799 CG LEU A1028 -3.476 9.085 2.579 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -3.841 8.376 1.273 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -4.586 8.968 3.625 1.00 0.00 C ATOM 0 H LEU A1028 -2.205 9.001 5.563 1.00 0.00 H new ATOM 0 HA LEU A1028 -3.146 6.889 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -1.612 9.403 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -1.541 8.216 2.294 1.00 0.00 H new ATOM 0 HG LEU A1028 -3.362 10.144 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -4.790 8.762 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -3.062 8.555 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -3.931 7.305 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -5.520 9.343 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -4.709 7.923 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -4.320 9.554 4.505 1.00 0.00 H new ATOM 1813 N ALA A1029 0.120 6.974 4.309 1.00 0.00 N ATOM 1814 CA ALA A1029 1.315 6.148 4.277 1.00 0.00 C ATOM 1815 C ALA A1029 1.033 4.824 4.990 1.00 0.00 C ATOM 1816 O ALA A1029 1.465 3.766 4.535 1.00 0.00 O ATOM 1817 CB ALA A1029 2.481 6.913 4.907 1.00 0.00 C ATOM 0 H ALA A1029 0.289 7.961 4.503 1.00 0.00 H new ATOM 0 HA ALA A1029 1.595 5.916 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.378 6.294 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A1029 2.659 7.831 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.238 7.160 5.940 1.00 0.00 H new ATOM 1823 N VAL A1030 0.311 4.926 6.096 1.00 0.00 N ATOM 1824 CA VAL A1030 -0.033 3.750 6.877 1.00 0.00 C ATOM 1825 C VAL A1030 -1.105 2.947 6.136 1.00 0.00 C ATOM 1826 O VAL A1030 -0.968 1.738 5.958 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.463 4.163 8.285 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.400 3.122 8.901 1.00 0.00 C ATOM 1829 CG2 VAL A1030 0.754 4.404 9.181 1.00 0.00 C ATOM 0 H VAL A1030 -0.045 5.805 6.470 1.00 0.00 H new ATOM 0 HA VAL A1030 0.836 3.103 6.995 1.00 0.00 H new ATOM 0 HB VAL A1030 -1.012 5.101 8.205 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -1.690 3.441 9.902 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -2.290 3.021 8.280 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -0.888 2.162 8.960 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.421 4.697 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.342 3.489 9.250 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.367 5.199 8.756 1.00 0.00 H new ATOM 1839 N ASP A1031 -2.148 3.653 5.724 1.00 0.00 N ATOM 1840 CA ASP A1031 -3.242 3.022 5.006 1.00 0.00 C ATOM 1841 C ASP A1031 -2.677 1.998 4.020 1.00 0.00 C ATOM 1842 O ASP A1031 -3.065 0.831 4.041 1.00 0.00 O ATOM 1843 CB ASP A1031 -4.045 4.052 4.209 1.00 0.00 C ATOM 1844 CG ASP A1031 -5.182 3.473 3.365 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -4.870 2.629 2.496 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -6.336 3.887 3.606 1.00 0.00 O ATOM 0 H ASP A1031 -2.258 4.656 5.874 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.893 2.544 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -4.463 4.781 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -3.364 4.592 3.552 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.768 2.471 3.180 1.00 0.00 N ATOM 1852 CA ALA A1032 -1.145 1.611 2.188 1.00 0.00 C ATOM 1853 C ALA A1032 -0.485 0.424 2.892 1.00 0.00 C ATOM 1854 O ALA A1032 -0.599 -0.713 2.438 1.00 0.00 O ATOM 1855 CB ALA A1032 -0.150 2.426 1.359 1.00 0.00 C ATOM 0 H ALA A1032 -1.448 3.439 3.166 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.891 1.213 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A1032 0.318 1.781 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.675 3.239 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.617 2.839 2.014 1.00 0.00 H new ATOM 1861 N LYS A1033 0.192 0.730 3.989 1.00 0.00 N ATOM 1862 CA LYS A1033 0.872 -0.298 4.760 1.00 0.00 C ATOM 1863 C LYS A1033 -0.134 -1.381 5.156 1.00 0.00 C ATOM 1864 O LYS A1033 0.181 -2.569 5.119 1.00 0.00 O ATOM 1865 CB LYS A1033 1.607 0.323 5.949 1.00 0.00 C ATOM 1866 CG LYS A1033 2.793 -0.546 6.375 1.00 0.00 C ATOM 1867 CD LYS A1033 4.091 -0.053 5.733 1.00 0.00 C ATOM 1868 CE LYS A1033 5.266 -0.961 6.106 1.00 0.00 C ATOM 1869 NZ LYS A1033 6.271 -0.979 5.020 1.00 0.00 N ATOM 0 H LYS A1033 0.284 1.675 4.362 1.00 0.00 H new ATOM 0 HA LYS A1033 1.641 -0.781 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.959 1.320 5.683 1.00 0.00 H new ATOM 0 HB3 LYS A1033 0.918 0.440 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.890 -0.528 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A1033 2.611 -1.582 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.978 -0.026 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A1033 4.297 0.967 6.058 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.726 -0.610 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A1033 4.906 -1.973 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 7.061 -1.599 5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 5.832 -1.335 4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 6.627 -0.015 4.860 1.00 0.00 H new ATOM 1883 N ASN A1034 -1.325 -0.931 5.525 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.378 -1.847 5.927 1.00 0.00 C ATOM 1885 C ASN A1034 -2.643 -2.842 4.796 1.00 0.00 C ATOM 1886 O ASN A1034 -2.758 -4.043 5.034 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.681 -1.097 6.212 1.00 0.00 C ATOM 1888 CG ASN A1034 -4.387 -1.671 7.442 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -3.988 -2.676 8.006 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -5.455 -0.977 7.825 1.00 0.00 N ATOM 0 H ASN A1034 -1.583 0.055 5.554 1.00 0.00 H new ATOM 0 HA ASN A1034 -2.051 -2.360 6.832 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -3.469 -0.040 6.371 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -4.340 -1.164 5.346 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -5.995 -1.278 8.637 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -5.734 -0.144 7.307 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.732 -2.305 3.588 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.981 -3.131 2.418 1.00 0.00 C ATOM 1899 C LEU A1035 -2.065 -4.356 2.460 1.00 0.00 C ATOM 1900 O LEU A1035 -2.535 -5.490 2.386 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.844 -2.303 1.139 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.499 -2.890 -0.113 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -3.856 -1.789 -1.113 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.613 -3.968 -0.741 1.00 0.00 C ATOM 0 H LEU A1035 -2.636 -1.308 3.394 1.00 0.00 H new ATOM 0 HA LEU A1035 -4.007 -3.500 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -3.272 -1.317 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.783 -2.158 0.936 1.00 0.00 H new ATOM 0 HG LEU A1035 -4.431 -3.371 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -4.320 -2.234 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -4.552 -1.089 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -2.951 -1.259 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -3.102 -4.369 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.653 -3.533 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -2.452 -4.771 -0.022 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.773 -4.085 2.578 1.00 0.00 N ATOM 1917 CA LEU A1036 0.213 -5.151 2.630 1.00 0.00 C ATOM 1918 C LEU A1036 0.094 -5.884 3.967 1.00 0.00 C ATOM 1919 O LEU A1036 0.165 -7.112 4.014 1.00 0.00 O ATOM 1920 CB LEU A1036 1.613 -4.599 2.353 1.00 0.00 C ATOM 1921 CG LEU A1036 2.457 -5.386 1.348 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.384 -4.754 -0.043 1.00 0.00 C ATOM 1923 CD2 LEU A1036 3.899 -5.530 1.838 1.00 0.00 C ATOM 0 H LEU A1036 -0.387 -3.143 2.639 1.00 0.00 H new ATOM 0 HA LEU A1036 0.024 -5.884 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.514 -3.576 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.157 -4.552 3.296 1.00 0.00 H new ATOM 0 HG LEU A1036 2.043 -6.391 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A1036 2.993 -5.333 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.349 -4.747 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A1036 2.758 -3.731 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.478 -6.093 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.340 -4.542 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A1036 3.908 -6.058 2.791 1.00 0.00 H new ATOM 1935 N ASP A1037 -0.084 -5.102 5.021 1.00 0.00 N ATOM 1936 CA ASP A1037 -0.213 -5.662 6.356 1.00 0.00 C ATOM 1937 C ASP A1037 -1.084 -6.918 6.295 1.00 0.00 C ATOM 1938 O ASP A1037 -0.638 -8.005 6.659 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.881 -4.668 7.308 1.00 0.00 C ATOM 1940 CG ASP A1037 -0.621 -4.921 8.794 1.00 0.00 C ATOM 1941 OD1 ASP A1037 -1.195 -5.903 9.312 1.00 0.00 O ATOM 1942 OD2 ASP A1037 0.147 -4.127 9.379 1.00 0.00 O ATOM 0 H ASP A1037 -0.142 -4.085 4.978 1.00 0.00 H new ATOM 0 HA ASP A1037 0.787 -5.895 6.722 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -0.537 -3.664 7.060 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.957 -4.689 7.134 1.00 0.00 H new ATOM 1947 N VAL A1038 -2.311 -6.727 5.833 1.00 0.00 N ATOM 1948 CA VAL A1038 -3.248 -7.831 5.720 1.00 0.00 C ATOM 1949 C VAL A1038 -2.623 -8.941 4.873 1.00 0.00 C ATOM 1950 O VAL A1038 -2.767 -10.122 5.186 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.581 -7.331 5.159 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -4.377 -6.600 3.830 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -5.578 -8.481 5.005 1.00 0.00 C ATOM 0 H VAL A1038 -2.678 -5.824 5.533 1.00 0.00 H new ATOM 0 HA VAL A1038 -3.461 -8.252 6.702 1.00 0.00 H new ATOM 0 HB VAL A1038 -4.998 -6.620 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -5.340 -6.255 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -3.719 -5.744 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -3.926 -7.279 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -6.517 -8.098 4.605 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -5.170 -9.227 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -5.759 -8.939 5.978 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.940 -8.523 3.817 1.00 0.00 N ATOM 1964 CA ILE A1039 -1.292 -9.467 2.923 1.00 0.00 C ATOM 1965 C ILE A1039 -0.242 -10.263 3.702 1.00 0.00 C ATOM 1966 O ILE A1039 -0.158 -11.482 3.569 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.730 -8.745 1.697 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.816 -8.536 0.639 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.484 -9.485 1.133 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.284 -7.716 -0.538 1.00 0.00 C ATOM 0 H ILE A1039 -1.822 -7.543 3.561 1.00 0.00 H new ATOM 0 HA ILE A1039 -2.016 -10.185 2.538 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.389 -7.758 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -2.172 -9.502 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.670 -8.027 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.864 -8.950 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.263 -9.539 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.192 -10.494 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -2.075 -7.582 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.951 -6.741 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.445 -8.240 -0.997 1.00 0.00 H new ATOM 1982 N ASP A1040 0.531 -9.539 4.499 1.00 0.00 N ATOM 1983 CA ASP A1040 1.571 -10.162 5.299 1.00 0.00 C ATOM 1984 C ASP A1040 0.972 -11.328 6.089 1.00 0.00 C ATOM 1985 O ASP A1040 1.596 -12.379 6.220 1.00 0.00 O ATOM 1986 CB ASP A1040 2.165 -9.169 6.300 1.00 0.00 C ATOM 1987 CG ASP A1040 3.638 -8.824 6.072 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.383 -9.747 5.679 1.00 0.00 O ATOM 1989 OD2 ASP A1040 3.985 -7.644 6.296 1.00 0.00 O ATOM 0 H ASP A1040 0.457 -8.527 4.607 1.00 0.00 H new ATOM 0 HA ASP A1040 2.354 -10.506 4.624 1.00 0.00 H new ATOM 0 HB2 ASP A1040 1.582 -8.249 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A1040 2.054 -9.578 7.304 1.00 0.00 H new ATOM 1994 N GLN A1041 -0.232 -11.102 6.594 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.922 -12.120 7.367 1.00 0.00 C ATOM 1996 C GLN A1041 -1.359 -13.271 6.458 1.00 0.00 C ATOM 1997 O GLN A1041 -1.573 -14.389 6.926 1.00 0.00 O ATOM 1998 CB GLN A1041 -2.119 -11.526 8.113 1.00 0.00 C ATOM 1999 CG GLN A1041 -1.657 -10.578 9.222 1.00 0.00 C ATOM 2000 CD GLN A1041 -2.679 -10.528 10.360 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -3.334 -11.505 10.684 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -2.778 -9.338 10.946 1.00 0.00 N ATOM 0 H GLN A1041 -0.747 -10.229 6.483 1.00 0.00 H new ATOM 0 HA GLN A1041 -0.230 -12.513 8.112 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -2.758 -10.988 7.413 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -2.720 -12.328 8.542 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -0.692 -10.907 9.609 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.512 -9.578 8.814 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -2.199 -8.562 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -3.432 -9.202 11.716 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.479 -12.958 5.177 1.00 0.00 N ATOM 2012 CA ALA A1042 -1.886 -13.952 4.198 1.00 0.00 C ATOM 2013 C ALA A1042 -0.659 -14.741 3.738 1.00 0.00 C ATOM 2014 O ALA A1042 -0.724 -15.959 3.578 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.605 -13.261 3.037 1.00 0.00 C ATOM 0 H ALA A1042 -1.302 -12.030 4.794 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.587 -14.661 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -2.910 -14.006 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.486 -12.740 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.932 -12.544 2.567 1.00 0.00 H new ATOM 2021 N ARG A1043 0.431 -14.015 3.538 1.00 0.00 N ATOM 2022 CA ARG A1043 1.671 -14.632 3.099 1.00 0.00 C ATOM 2023 C ARG A1043 2.038 -15.799 4.018 1.00 0.00 C ATOM 2024 O ARG A1043 2.418 -16.870 3.547 1.00 0.00 O ATOM 2025 CB ARG A1043 2.817 -13.619 3.090 1.00 0.00 C ATOM 2026 CG ARG A1043 3.918 -14.046 2.116 1.00 0.00 C ATOM 2027 CD ARG A1043 4.314 -12.890 1.195 1.00 0.00 C ATOM 2028 NE ARG A1043 5.711 -12.482 1.465 1.00 0.00 N ATOM 2029 CZ ARG A1043 6.786 -13.173 1.062 1.00 0.00 C ATOM 2030 NH1 ARG A1043 6.631 -14.308 0.368 1.00 0.00 N ATOM 2031 NH2 ARG A1043 8.016 -12.728 1.353 1.00 0.00 N ATOM 0 H ARG A1043 0.481 -13.005 3.672 1.00 0.00 H new ATOM 0 HA ARG A1043 1.518 -14.999 2.084 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.437 -12.637 2.808 1.00 0.00 H new ATOM 0 HB3 ARG A1043 3.231 -13.524 4.094 1.00 0.00 H new ATOM 0 HG2 ARG A1043 4.790 -14.386 2.674 1.00 0.00 H new ATOM 0 HG3 ARG A1043 3.573 -14.890 1.519 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.210 -13.193 0.153 1.00 0.00 H new ATOM 0 HD3 ARG A1043 3.643 -12.045 1.350 1.00 0.00 H new ATOM 0 HE ARG A1043 5.865 -11.621 1.990 1.00 0.00 H new ATOM 0 HH11 ARG A1043 5.695 -14.646 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A1043 7.449 -14.834 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A1043 8.134 -11.863 1.881 1.00 0.00 H new ATOM 0 HH22 ARG A1043 8.834 -13.254 1.046 1.00 0.00 H new ATOM 2045 N LEU A1044 1.911 -15.552 5.314 1.00 0.00 N ATOM 2046 CA LEU A1044 2.224 -16.568 6.304 1.00 0.00 C ATOM 2047 C LEU A1044 1.226 -17.721 6.179 1.00 0.00 C ATOM 2048 O LEU A1044 1.617 -18.887 6.163 1.00 0.00 O ATOM 2049 CB LEU A1044 2.282 -15.954 7.704 1.00 0.00 C ATOM 2050 CG LEU A1044 1.051 -15.153 8.135 1.00 0.00 C ATOM 2051 CD1 LEU A1044 0.058 -16.039 8.889 1.00 0.00 C ATOM 2052 CD2 LEU A1044 1.456 -13.923 8.951 1.00 0.00 C ATOM 0 H LEU A1044 1.595 -14.663 5.701 1.00 0.00 H new ATOM 0 HA LEU A1044 3.215 -16.983 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.440 -16.756 8.425 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.153 -15.301 7.757 1.00 0.00 H new ATOM 0 HG LEU A1044 0.546 -14.793 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.808 -15.446 9.184 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.265 -16.855 8.243 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.538 -16.448 9.778 1.00 0.00 H new ATOM 0 HD21 LEU A1044 0.563 -13.371 9.245 1.00 0.00 H new ATOM 0 HD22 LEU A1044 1.997 -14.240 9.843 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.097 -13.281 8.347 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.044 -17.355 6.093 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.102 -18.343 5.970 1.00 0.00 C ATOM 2066 C LYS A1045 -0.652 -19.448 5.012 1.00 0.00 C ATOM 2067 O LYS A1045 -1.080 -20.595 5.136 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.416 -17.674 5.562 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.173 -17.160 6.789 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.674 -17.427 6.659 1.00 0.00 C ATOM 2071 CE LYS A1045 -5.395 -17.156 7.980 1.00 0.00 C ATOM 2072 NZ LYS A1045 -5.107 -18.230 8.958 1.00 0.00 N ATOM 0 H LYS A1045 -0.365 -16.387 6.106 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.297 -18.814 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.211 -16.846 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -3.037 -18.386 5.019 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -2.790 -17.646 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -2.999 -16.090 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -5.093 -16.795 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -4.838 -18.461 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -5.078 -16.194 8.383 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.469 -17.091 7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -5.776 -18.165 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -5.207 -19.156 8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -4.136 -18.124 9.314 1.00 0.00 H new ATOM 2086 N MET A1046 0.206 -19.065 4.078 1.00 0.00 N ATOM 2087 CA MET A1046 0.719 -20.009 3.100 1.00 0.00 C ATOM 2088 C MET A1046 1.971 -20.716 3.624 1.00 0.00 C ATOM 2089 O MET A1046 2.018 -21.944 3.676 1.00 0.00 O ATOM 2090 CB MET A1046 1.056 -19.269 1.804 1.00 0.00 C ATOM 2091 CG MET A1046 1.953 -20.121 0.903 1.00 0.00 C ATOM 2092 SD MET A1046 2.169 -19.319 -0.677 1.00 0.00 S ATOM 2093 CE MET A1046 2.452 -17.642 -0.138 1.00 0.00 C ATOM 0 H MET A1046 0.559 -18.113 3.978 1.00 0.00 H new ATOM 0 HA MET A1046 -0.048 -20.760 2.911 1.00 0.00 H new ATOM 0 HB2 MET A1046 0.137 -19.018 1.275 1.00 0.00 H new ATOM 0 HB3 MET A1046 1.556 -18.329 2.037 1.00 0.00 H new ATOM 0 HG2 MET A1046 2.922 -20.272 1.379 1.00 0.00 H new ATOM 0 HG3 MET A1046 1.510 -21.107 0.762 1.00 0.00 H new ATOM 0 HE1 MET A1046 2.914 -17.074 -0.945 1.00 0.00 H new ATOM 0 HE2 MET A1046 1.502 -17.181 0.132 1.00 0.00 H new ATOM 0 HE3 MET A1046 3.113 -17.645 0.729 1.00 0.00 H new ATOM 2103 N ILE A1047 2.953 -19.911 3.999 1.00 0.00 N ATOM 2104 CA ILE A1047 4.201 -20.444 4.518 1.00 0.00 C ATOM 2105 C ILE A1047 3.897 -21.494 5.589 1.00 0.00 C ATOM 2106 O ILE A1047 4.526 -22.550 5.625 1.00 0.00 O ATOM 2107 CB ILE A1047 5.106 -19.311 5.006 1.00 0.00 C ATOM 2108 CG1 ILE A1047 5.747 -18.575 3.828 1.00 0.00 C ATOM 2109 CG2 ILE A1047 6.152 -19.833 5.994 1.00 0.00 C ATOM 2110 CD1 ILE A1047 5.443 -17.076 3.888 1.00 0.00 C ATOM 0 H ILE A1047 2.910 -18.893 3.954 1.00 0.00 H new ATOM 0 HA ILE A1047 4.758 -20.947 3.728 1.00 0.00 H new ATOM 0 HB ILE A1047 4.490 -18.587 5.540 1.00 0.00 H new ATOM 0 HG12 ILE A1047 6.826 -18.732 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A1047 5.375 -18.988 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A1047 6.783 -19.008 6.326 1.00 0.00 H new ATOM 0 HG22 ILE A1047 5.651 -20.275 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A1047 6.769 -20.588 5.506 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.910 -16.576 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A1047 4.365 -16.922 3.852 1.00 0.00 H new ATOM 0 HD13 ILE A1047 5.838 -16.662 4.816 1.00 0.00 H new