USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 944 GLN : amide:sc= -0.42 K(o=-3.2,f=-4.9) USER MOD Set 1.2: A1018 LYS NZ :NH3+ 163:sc= -2.77 (180deg=-4.49!) USER MOD Set 2.1: A1008 TYR OH : rot 90:sc= 1.25 USER MOD Set 2.2: A1017 TYR OH : rot 77:sc= 0.683 USER MOD Set 3.1: A1007 GLN : amide:sc= -0.102 K(o=-1.6,f=-4.3) USER MOD Set 3.2: A1010 MET CE :methyl -148:sc= -1.45 (180deg=-2.93!) USER MOD Set 4.1: A 939 MET CE :methyl 162:sc= -3.94! (180deg=-5.02!) USER MOD Set 4.2: A 940 SER OG : rot -140:sc= 0 USER MOD Set 4.3: A1021 MET CE :methyl 160:sc= -1.57 (180deg=-3.11!) USER MOD Single : A 922 ASN : amide:sc= -0.581 K(o=-0.58,f=-2!) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot 180:sc=-0.00012 USER MOD Single : A 928 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.43) USER MOD Single : A 930 THR OG1 : rot -117:sc= -0.699 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 951 TYR OH : rot 150:sc= -0.124 USER MOD Single : A 954 MET CE :methyl -142:sc= -2.55 (180deg=-6.98!) 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 150:sc= -0.73 USER MOD Single : A 972 SER OG : rot 180:sc= 0 USER MOD Single : A 979 SER OG : rot 133:sc= -0.838 USER MOD Single : A 980 THR OG1 : rot 124:sc= -4.1! USER MOD Single : A 981 HIS : no HD1:sc= -0.849 K(o=-0.85,f=-5.9!) USER MOD Single : A 986 MET CE :methyl -104:sc= 0 (180deg=-1.3) USER MOD Single : A 988 GLN : amide:sc= -1.89 K(o=-1.9,f=-1.3) USER MOD Single : A 989 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0503) USER MOD Single : A 992 ASN : amide:sc= -0.0426 K(o=-0.043,f=-1.5) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.6!) USER MOD Single : A1001 LYS NZ :NH3+ -122:sc= -1.79 (180deg=-6!) USER MOD Single : A1002 MET CE :methyl -142:sc= -5.92! (180deg=-10.6!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -3.59! C(o=-3.6!,f=-3.7!) USER MOD Single : A1011 THR OG1 : rot -142:sc= 0.274 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= -12.3! C(o=-12!,f=-15!) USER MOD Single : A1015 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.2) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.67) USER MOD Single : A1023 THR OG1 : rot -160:sc= -0.0843 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.23 K(o=-0.23,f=-2.4!) USER MOD Single : A1041 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1045 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0218) USER MOD Single : A1046 MET CE :methyl -160:sc= -0.565 (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.681 -10.086 -7.050 1.00 0.00 N ATOM 108 CA ASN A 922 5.264 -9.818 -5.684 1.00 0.00 C ATOM 109 C ASN A 922 6.083 -8.653 -5.124 1.00 0.00 C ATOM 110 O ASN A 922 5.639 -7.961 -4.209 1.00 0.00 O ATOM 111 CB ASN A 922 5.501 -11.035 -4.787 1.00 0.00 C ATOM 112 CG ASN A 922 6.995 -11.250 -4.538 1.00 0.00 C ATOM 113 OD1 ASN A 922 7.627 -10.557 -3.757 1.00 0.00 O ATOM 114 ND2 ASN A 922 7.524 -12.247 -5.242 1.00 0.00 N ATOM 0 HA ASN A 922 4.200 -9.580 -5.697 1.00 0.00 H new ATOM 0 HB2 ASN A 922 4.987 -10.896 -3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 922 5.075 -11.923 -5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 922 8.515 -12.470 -5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 922 6.939 -12.788 -5.879 1.00 0.00 H new ATOM 121 N ASP A 923 7.263 -8.471 -5.699 1.00 0.00 N ATOM 122 CA ASP A 923 8.147 -7.401 -5.269 1.00 0.00 C ATOM 123 C ASP A 923 7.654 -6.074 -5.849 1.00 0.00 C ATOM 124 O ASP A 923 7.682 -5.047 -5.171 1.00 0.00 O ATOM 125 CB ASP A 923 9.575 -7.633 -5.767 1.00 0.00 C ATOM 126 CG ASP A 923 10.571 -6.526 -5.415 1.00 0.00 C ATOM 127 OD1 ASP A 923 10.504 -6.049 -4.262 1.00 0.00 O ATOM 128 OD2 ASP A 923 11.376 -6.182 -6.307 1.00 0.00 O ATOM 0 H ASP A 923 7.627 -9.046 -6.459 1.00 0.00 H new ATOM 0 HA ASP A 923 8.144 -7.379 -4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.939 -8.574 -5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 923 9.551 -7.749 -6.851 1.00 0.00 H new ATOM 133 N LYS A 924 7.213 -6.137 -7.097 1.00 0.00 N ATOM 134 CA LYS A 924 6.714 -4.953 -7.775 1.00 0.00 C ATOM 135 C LYS A 924 5.575 -4.343 -6.956 1.00 0.00 C ATOM 136 O LYS A 924 5.562 -3.139 -6.704 1.00 0.00 O ATOM 137 CB LYS A 924 6.326 -5.285 -9.217 1.00 0.00 C ATOM 138 CG LYS A 924 6.033 -4.012 -10.014 1.00 0.00 C ATOM 139 CD LYS A 924 5.131 -4.311 -11.213 1.00 0.00 C ATOM 140 CE LYS A 924 5.749 -3.783 -12.509 1.00 0.00 C ATOM 141 NZ LYS A 924 6.667 -4.787 -13.092 1.00 0.00 N ATOM 0 H LYS A 924 7.191 -6.990 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 924 7.496 -4.197 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 924 7.133 -5.840 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.448 -5.931 -9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 924 5.553 -3.277 -9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 924 6.968 -3.571 -10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 924 4.972 -5.386 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 924 4.153 -3.854 -11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 924 4.961 -3.544 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 924 6.291 -2.858 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 7.078 -4.413 -13.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 7.429 -4.995 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 6.140 -5.659 -13.300 1.00 0.00 H new ATOM 155 N VAL A 925 4.645 -5.202 -6.564 1.00 0.00 N ATOM 156 CA VAL A 925 3.505 -4.762 -5.778 1.00 0.00 C ATOM 157 C VAL A 925 4.002 -4.064 -4.511 1.00 0.00 C ATOM 158 O VAL A 925 3.521 -2.987 -4.162 1.00 0.00 O ATOM 159 CB VAL A 925 2.583 -5.948 -5.485 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.371 -5.510 -4.660 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.146 -6.636 -6.780 1.00 0.00 C ATOM 0 H VAL A 925 4.658 -6.200 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 925 2.913 -4.037 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 925 3.145 -6.672 -4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 925 0.732 -6.372 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 925 1.709 -5.088 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 925 0.808 -4.758 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.492 -7.475 -6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.610 -5.924 -7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.024 -7.000 -7.313 1.00 0.00 H new ATOM 171 N TYR A 926 4.958 -4.706 -3.857 1.00 0.00 N ATOM 172 CA TYR A 926 5.526 -4.160 -2.636 1.00 0.00 C ATOM 173 C TYR A 926 6.396 -2.937 -2.934 1.00 0.00 C ATOM 174 O TYR A 926 6.581 -2.077 -2.075 1.00 0.00 O ATOM 175 CB TYR A 926 6.405 -5.265 -2.048 1.00 0.00 C ATOM 176 CG TYR A 926 5.624 -6.354 -1.308 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.275 -6.517 -1.546 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.270 -7.172 -0.404 1.00 0.00 C ATOM 179 CE1 TYR A 926 3.540 -7.542 -0.850 1.00 0.00 C ATOM 180 CE2 TYR A 926 5.535 -8.197 0.292 1.00 0.00 C ATOM 181 CZ TYR A 926 4.207 -8.331 0.035 1.00 0.00 C ATOM 182 OH TYR A 926 3.513 -9.299 0.692 1.00 0.00 O ATOM 0 H TYR A 926 5.354 -5.599 -4.149 1.00 0.00 H new ATOM 0 HA TYR A 926 4.736 -3.846 -1.953 1.00 0.00 H new ATOM 0 HB2 TYR A 926 6.978 -5.726 -2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.123 -4.817 -1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 926 3.770 -5.876 -2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.326 -7.044 -0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 926 2.484 -7.681 -1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.028 -8.844 1.002 1.00 0.00 H new ATOM 0 HH TYR A 926 4.117 -9.786 1.291 1.00 0.00 H new ATOM 192 N GLU A 927 6.908 -2.899 -4.156 1.00 0.00 N ATOM 193 CA GLU A 927 7.754 -1.797 -4.579 1.00 0.00 C ATOM 194 C GLU A 927 6.919 -0.528 -4.767 1.00 0.00 C ATOM 195 O GLU A 927 7.333 0.557 -4.362 1.00 0.00 O ATOM 196 CB GLU A 927 8.514 -2.148 -5.860 1.00 0.00 C ATOM 197 CG GLU A 927 9.719 -3.040 -5.555 1.00 0.00 C ATOM 198 CD GLU A 927 10.927 -2.202 -5.131 1.00 0.00 C ATOM 199 OE1 GLU A 927 11.495 -1.533 -6.022 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.256 -2.250 -3.926 1.00 0.00 O ATOM 0 H GLU A 927 6.753 -3.614 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 927 8.491 -1.611 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 927 7.847 -2.657 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.848 -1.234 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.464 -3.744 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 927 9.972 -3.630 -6.436 1.00 0.00 H new ATOM 207 N ASN A 928 5.759 -0.708 -5.381 1.00 0.00 N ATOM 208 CA ASN A 928 4.863 0.409 -5.627 1.00 0.00 C ATOM 209 C ASN A 928 4.417 1.005 -4.290 1.00 0.00 C ATOM 210 O ASN A 928 4.557 2.206 -4.065 1.00 0.00 O ATOM 211 CB ASN A 928 3.612 -0.046 -6.382 1.00 0.00 C ATOM 212 CG ASN A 928 3.227 0.965 -7.465 1.00 0.00 C ATOM 213 OD1 ASN A 928 2.328 1.774 -7.304 1.00 0.00 O ATOM 214 ND2 ASN A 928 3.957 0.874 -8.573 1.00 0.00 N ATOM 0 H ASN A 928 5.419 -1.610 -5.715 1.00 0.00 H new ATOM 0 HA ASN A 928 5.399 1.146 -6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.791 -1.020 -6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 928 2.785 -0.168 -5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 928 3.779 1.505 -9.354 1.00 0.00 H new ATOM 0 HD22 ASN A 928 4.695 0.173 -8.641 1.00 0.00 H new ATOM 221 N VAL A 929 3.891 0.137 -3.439 1.00 0.00 N ATOM 222 CA VAL A 929 3.424 0.563 -2.130 1.00 0.00 C ATOM 223 C VAL A 929 4.502 1.419 -1.463 1.00 0.00 C ATOM 224 O VAL A 929 4.226 2.529 -1.010 1.00 0.00 O ATOM 225 CB VAL A 929 3.027 -0.656 -1.294 1.00 0.00 C ATOM 226 CG1 VAL A 929 3.003 -0.314 0.197 1.00 0.00 C ATOM 227 CG2 VAL A 929 1.678 -1.217 -1.750 1.00 0.00 C ATOM 0 H VAL A 929 3.778 -0.859 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 929 2.531 1.180 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 929 3.781 -1.428 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.718 -1.197 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.993 0.017 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 929 2.281 0.482 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 929 1.419 -2.082 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 929 0.910 -0.452 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 929 1.743 -1.517 -2.796 1.00 0.00 H new ATOM 237 N THR A 930 5.708 0.871 -1.423 1.00 0.00 N ATOM 238 CA THR A 930 6.828 1.572 -0.819 1.00 0.00 C ATOM 239 C THR A 930 7.073 2.903 -1.532 1.00 0.00 C ATOM 240 O THR A 930 7.049 3.961 -0.905 1.00 0.00 O ATOM 241 CB THR A 930 8.039 0.637 -0.845 1.00 0.00 C ATOM 242 OG1 THR A 930 7.897 -0.082 -2.067 1.00 0.00 O ATOM 243 CG2 THR A 930 7.967 -0.445 0.235 1.00 0.00 C ATOM 0 H THR A 930 5.934 -0.050 -1.799 1.00 0.00 H new ATOM 0 HA THR A 930 6.619 1.830 0.219 1.00 0.00 H new ATOM 0 HB THR A 930 8.950 1.220 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.783 -1.036 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.850 -1.081 0.172 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.927 0.024 1.218 1.00 0.00 H new ATOM 0 HG23 THR A 930 7.073 -1.050 0.085 1.00 0.00 H new ATOM 251 N GLY A 931 7.303 2.806 -2.834 1.00 0.00 N ATOM 252 CA GLY A 931 7.552 3.990 -3.639 1.00 0.00 C ATOM 253 C GLY A 931 6.438 5.023 -3.454 1.00 0.00 C ATOM 254 O GLY A 931 6.656 6.217 -3.652 1.00 0.00 O ATOM 0 H GLY A 931 7.322 1.927 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.510 4.429 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 931 7.623 3.711 -4.690 1.00 0.00 H new ATOM 258 N LEU A 932 5.270 4.525 -3.077 1.00 0.00 N ATOM 259 CA LEU A 932 4.122 5.390 -2.864 1.00 0.00 C ATOM 260 C LEU A 932 4.287 6.131 -1.536 1.00 0.00 C ATOM 261 O LEU A 932 4.323 7.361 -1.507 1.00 0.00 O ATOM 262 CB LEU A 932 2.822 4.590 -2.963 1.00 0.00 C ATOM 263 CG LEU A 932 1.903 4.649 -1.741 1.00 0.00 C ATOM 264 CD1 LEU A 932 1.522 6.093 -1.411 1.00 0.00 C ATOM 265 CD2 LEU A 932 0.671 3.762 -1.938 1.00 0.00 C ATOM 0 H LEU A 932 5.094 3.534 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 932 4.065 6.146 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.265 4.946 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.074 3.547 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 932 2.449 4.256 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.869 6.107 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.423 6.668 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 932 1.002 6.535 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.035 3.822 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.114 4.102 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 932 0.986 2.729 -2.088 1.00 0.00 H new ATOM 277 N VAL A 933 4.384 5.353 -0.468 1.00 0.00 N ATOM 278 CA VAL A 933 4.546 5.920 0.860 1.00 0.00 C ATOM 279 C VAL A 933 5.872 6.680 0.928 1.00 0.00 C ATOM 280 O VAL A 933 5.969 7.707 1.598 1.00 0.00 O ATOM 281 CB VAL A 933 4.433 4.819 1.917 1.00 0.00 C ATOM 282 CG1 VAL A 933 3.028 4.214 1.929 1.00 0.00 C ATOM 283 CG2 VAL A 933 5.493 3.739 1.698 1.00 0.00 C ATOM 0 H VAL A 933 4.353 4.334 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 933 3.751 6.635 1.069 1.00 0.00 H new ATOM 0 HB VAL A 933 4.612 5.271 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 933 2.974 3.434 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 933 2.299 4.992 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 933 2.809 3.784 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 933 5.391 2.969 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 933 5.359 3.293 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 933 6.486 4.185 1.763 1.00 0.00 H new ATOM 293 N LYS A 934 6.860 6.146 0.225 1.00 0.00 N ATOM 294 CA LYS A 934 8.176 6.761 0.197 1.00 0.00 C ATOM 295 C LYS A 934 8.053 8.194 -0.324 1.00 0.00 C ATOM 296 O LYS A 934 8.737 9.095 0.160 1.00 0.00 O ATOM 297 CB LYS A 934 9.154 5.898 -0.603 1.00 0.00 C ATOM 298 CG LYS A 934 9.527 4.632 0.171 1.00 0.00 C ATOM 299 CD LYS A 934 10.949 4.729 0.728 1.00 0.00 C ATOM 300 CE LYS A 934 10.961 4.505 2.242 1.00 0.00 C ATOM 301 NZ LYS A 934 11.272 5.767 2.950 1.00 0.00 N ATOM 0 H LYS A 934 6.775 5.294 -0.330 1.00 0.00 H new ATOM 0 HA LYS A 934 8.590 6.821 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 934 8.706 5.626 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.054 6.472 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.822 4.480 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.447 3.764 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.585 3.989 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.367 5.709 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 934 9.992 4.128 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 934 11.700 3.746 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 11.276 5.597 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 12.207 6.111 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 10.551 6.481 2.720 1.00 0.00 H new ATOM 315 N ALA A 935 7.177 8.361 -1.304 1.00 0.00 N ATOM 316 CA ALA A 935 6.956 9.669 -1.896 1.00 0.00 C ATOM 317 C ALA A 935 5.906 10.424 -1.078 1.00 0.00 C ATOM 318 O ALA A 935 6.085 11.600 -0.766 1.00 0.00 O ATOM 319 CB ALA A 935 6.546 9.505 -3.361 1.00 0.00 C ATOM 0 H ALA A 935 6.612 7.612 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 935 7.873 10.257 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.380 10.487 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.338 8.990 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.627 8.921 -3.419 1.00 0.00 H new ATOM 325 N VAL A 936 4.835 9.716 -0.753 1.00 0.00 N ATOM 326 CA VAL A 936 3.756 10.304 0.023 1.00 0.00 C ATOM 327 C VAL A 936 4.347 11.219 1.097 1.00 0.00 C ATOM 328 O VAL A 936 3.815 12.297 1.360 1.00 0.00 O ATOM 329 CB VAL A 936 2.866 9.201 0.601 1.00 0.00 C ATOM 330 CG1 VAL A 936 3.153 8.988 2.088 1.00 0.00 C ATOM 331 CG2 VAL A 936 1.386 9.513 0.367 1.00 0.00 C ATOM 0 H VAL A 936 4.691 8.740 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 936 3.118 10.918 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 936 3.100 8.273 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 936 2.507 8.199 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 936 4.196 8.700 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 936 2.961 9.913 2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 936 0.775 8.714 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.132 10.456 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 936 1.195 9.591 -0.703 1.00 0.00 H new ATOM 341 N ILE A 937 5.439 10.757 1.688 1.00 0.00 N ATOM 342 CA ILE A 937 6.107 11.521 2.728 1.00 0.00 C ATOM 343 C ILE A 937 7.055 12.533 2.081 1.00 0.00 C ATOM 344 O ILE A 937 6.829 13.740 2.159 1.00 0.00 O ATOM 345 CB ILE A 937 6.794 10.585 3.724 1.00 0.00 C ATOM 346 CG1 ILE A 937 5.769 9.717 4.456 1.00 0.00 C ATOM 347 CG2 ILE A 937 7.679 11.370 4.694 1.00 0.00 C ATOM 348 CD1 ILE A 937 6.242 8.264 4.542 1.00 0.00 C ATOM 0 H ILE A 937 5.878 9.863 1.467 1.00 0.00 H new ATOM 0 HA ILE A 937 5.381 12.089 3.309 1.00 0.00 H new ATOM 0 HB ILE A 937 7.446 9.912 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 937 5.605 10.110 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 937 4.812 9.761 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 937 8.155 10.681 5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 937 8.445 11.907 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 937 7.068 12.082 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.495 7.669 5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 937 6.382 7.867 3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 937 7.187 8.220 5.084 1.00 0.00 H new ATOM 360 N GLU A 938 8.097 12.004 1.456 1.00 0.00 N ATOM 361 CA GLU A 938 9.081 12.846 0.796 1.00 0.00 C ATOM 362 C GLU A 938 8.422 14.126 0.279 1.00 0.00 C ATOM 363 O GLU A 938 8.985 15.213 0.404 1.00 0.00 O ATOM 364 CB GLU A 938 9.777 12.091 -0.337 1.00 0.00 C ATOM 365 CG GLU A 938 11.244 12.510 -0.456 1.00 0.00 C ATOM 366 CD GLU A 938 12.176 11.361 -0.065 1.00 0.00 C ATOM 367 OE1 GLU A 938 12.289 11.114 1.155 1.00 0.00 O ATOM 368 OE2 GLU A 938 12.754 10.757 -0.994 1.00 0.00 O ATOM 0 H GLU A 938 8.281 11.003 1.393 1.00 0.00 H new ATOM 0 HA GLU A 938 9.843 13.122 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.715 11.018 -0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.262 12.285 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.455 12.822 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.433 13.371 0.185 1.00 0.00 H new ATOM 375 N MET A 939 7.238 13.955 -0.292 1.00 0.00 N ATOM 376 CA MET A 939 6.497 15.083 -0.829 1.00 0.00 C ATOM 377 C MET A 939 6.505 16.260 0.148 1.00 0.00 C ATOM 378 O MET A 939 7.203 17.249 -0.070 1.00 0.00 O ATOM 379 CB MET A 939 5.053 14.660 -1.107 1.00 0.00 C ATOM 380 CG MET A 939 4.728 14.765 -2.598 1.00 0.00 C ATOM 381 SD MET A 939 3.061 14.203 -2.901 1.00 0.00 S ATOM 382 CE MET A 939 2.160 15.317 -1.837 1.00 0.00 C ATOM 0 H MET A 939 6.774 13.052 -0.394 1.00 0.00 H new ATOM 0 HA MET A 939 6.977 15.401 -1.755 1.00 0.00 H new ATOM 0 HB2 MET A 939 4.899 13.635 -0.769 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.370 15.290 -0.537 1.00 0.00 H new ATOM 0 HG2 MET A 939 4.839 15.797 -2.931 1.00 0.00 H new ATOM 0 HG3 MET A 939 5.433 14.167 -3.175 1.00 0.00 H new ATOM 0 HE1 MET A 939 1.110 15.331 -2.130 1.00 0.00 H new ATOM 0 HE2 MET A 939 2.243 14.980 -0.804 1.00 0.00 H new ATOM 0 HE3 MET A 939 2.575 16.321 -1.926 1.00 0.00 H new ATOM 392 N SER A 940 5.720 16.115 1.206 1.00 0.00 N ATOM 393 CA SER A 940 5.628 17.154 2.218 1.00 0.00 C ATOM 394 C SER A 940 7.017 17.725 2.509 1.00 0.00 C ATOM 395 O SER A 940 7.152 18.907 2.822 1.00 0.00 O ATOM 396 CB SER A 940 4.995 16.616 3.503 1.00 0.00 C ATOM 397 OG SER A 940 3.572 16.688 3.468 1.00 0.00 O ATOM 0 H SER A 940 5.142 15.294 1.384 1.00 0.00 H new ATOM 0 HA SER A 940 4.988 17.949 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 940 5.302 15.581 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 940 5.366 17.185 4.356 1.00 0.00 H new ATOM 0 HG SER A 940 3.237 16.964 4.347 1.00 0.00 H new ATOM 403 N SER A 941 8.014 16.860 2.396 1.00 0.00 N ATOM 404 CA SER A 941 9.387 17.264 2.643 1.00 0.00 C ATOM 405 C SER A 941 9.794 18.363 1.660 1.00 0.00 C ATOM 406 O SER A 941 10.270 19.421 2.069 1.00 0.00 O ATOM 407 CB SER A 941 10.340 16.072 2.531 1.00 0.00 C ATOM 408 OG SER A 941 11.449 16.190 3.418 1.00 0.00 O ATOM 0 H SER A 941 7.898 15.880 2.137 1.00 0.00 H new ATOM 0 HA SER A 941 9.452 17.653 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 941 9.797 15.152 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 941 10.702 15.993 1.506 1.00 0.00 H new ATOM 0 HG SER A 941 12.033 15.409 3.318 1.00 0.00 H new ATOM 414 N LYS A 942 9.593 18.074 0.382 1.00 0.00 N ATOM 415 CA LYS A 942 9.934 19.025 -0.662 1.00 0.00 C ATOM 416 C LYS A 942 8.652 19.657 -1.209 1.00 0.00 C ATOM 417 O LYS A 942 8.597 20.053 -2.372 1.00 0.00 O ATOM 418 CB LYS A 942 10.796 18.357 -1.735 1.00 0.00 C ATOM 419 CG LYS A 942 9.933 17.551 -2.708 1.00 0.00 C ATOM 420 CD LYS A 942 10.317 17.850 -4.158 1.00 0.00 C ATOM 421 CE LYS A 942 9.075 18.124 -5.009 1.00 0.00 C ATOM 422 NZ LYS A 942 9.392 19.078 -6.096 1.00 0.00 N ATOM 0 H LYS A 942 9.199 17.195 0.047 1.00 0.00 H new ATOM 0 HA LYS A 942 10.541 19.834 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 942 11.355 19.116 -2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.527 17.701 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.052 16.486 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 942 8.881 17.789 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.982 18.713 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.868 17.006 -4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.704 17.191 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.280 18.528 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.539 19.253 -6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.725 19.974 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 10.136 18.678 -6.703 1.00 0.00 H new ATOM 436 N ILE A 943 7.651 19.731 -0.343 1.00 0.00 N ATOM 437 CA ILE A 943 6.373 20.307 -0.725 1.00 0.00 C ATOM 438 C ILE A 943 6.356 21.791 -0.353 1.00 0.00 C ATOM 439 O ILE A 943 6.042 22.640 -1.186 1.00 0.00 O ATOM 440 CB ILE A 943 5.221 19.508 -0.114 1.00 0.00 C ATOM 441 CG1 ILE A 943 4.079 19.337 -1.117 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.744 20.144 1.194 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.183 20.576 -1.145 1.00 0.00 C ATOM 0 H ILE A 943 7.700 19.402 0.621 1.00 0.00 H new ATOM 0 HA ILE A 943 6.236 20.246 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 943 5.589 18.511 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.488 19.157 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.486 18.461 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.925 19.556 1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.568 20.170 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.400 21.160 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.379 20.428 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.757 20.739 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.773 21.446 -1.433 1.00 0.00 H new ATOM 455 N GLN A 944 6.699 22.059 0.898 1.00 0.00 N ATOM 456 CA GLN A 944 6.728 23.426 1.390 1.00 0.00 C ATOM 457 C GLN A 944 7.370 24.350 0.353 1.00 0.00 C ATOM 458 O GLN A 944 6.786 25.365 -0.024 1.00 0.00 O ATOM 459 CB GLN A 944 7.462 23.511 2.730 1.00 0.00 C ATOM 460 CG GLN A 944 6.570 24.134 3.806 1.00 0.00 C ATOM 461 CD GLN A 944 6.987 25.576 4.097 1.00 0.00 C ATOM 462 OE1 GLN A 944 7.078 26.414 3.215 1.00 0.00 O ATOM 463 NE2 GLN A 944 7.236 25.818 5.381 1.00 0.00 N ATOM 0 H GLN A 944 6.959 21.353 1.586 1.00 0.00 H new ATOM 0 HA GLN A 944 5.702 23.754 1.554 1.00 0.00 H new ATOM 0 HB2 GLN A 944 7.772 22.514 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.368 24.105 2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.530 24.111 3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 944 6.630 23.543 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 944 7.141 25.071 6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 944 7.522 26.751 5.678 1.00 0.00 H new ATOM 472 N PRO A 945 8.594 23.955 -0.089 1.00 0.00 N ATOM 473 CA PRO A 945 9.321 24.737 -1.075 1.00 0.00 C ATOM 474 C PRO A 945 8.720 24.555 -2.470 1.00 0.00 C ATOM 475 O PRO A 945 8.422 25.534 -3.154 1.00 0.00 O ATOM 476 CB PRO A 945 10.758 24.251 -0.979 1.00 0.00 C ATOM 477 CG PRO A 945 10.697 22.902 -0.281 1.00 0.00 C ATOM 478 CD PRO A 945 9.315 22.759 0.336 1.00 0.00 C ATOM 0 HA PRO A 945 9.264 25.809 -0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.206 24.159 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.371 24.955 -0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.883 22.096 -0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.467 22.835 0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.818 21.853 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.371 22.696 1.423 1.00 0.00 H new ATOM 486 N ALA A 946 8.559 23.297 -2.851 1.00 0.00 N ATOM 487 CA ALA A 946 7.999 22.974 -4.153 1.00 0.00 C ATOM 488 C ALA A 946 6.946 24.021 -4.523 1.00 0.00 C ATOM 489 O ALA A 946 6.013 24.265 -3.760 1.00 0.00 O ATOM 490 CB ALA A 946 7.427 21.556 -4.125 1.00 0.00 C ATOM 0 H ALA A 946 8.807 22.488 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 946 8.772 22.998 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 946 7.007 21.314 -5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.221 20.848 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.645 21.494 -3.368 1.00 0.00 H new ATOM 496 N PRO A 947 7.136 24.626 -5.726 1.00 0.00 N ATOM 497 CA PRO A 947 6.214 25.641 -6.207 1.00 0.00 C ATOM 498 C PRO A 947 4.908 25.009 -6.693 1.00 0.00 C ATOM 499 O PRO A 947 4.772 23.786 -6.702 1.00 0.00 O ATOM 500 CB PRO A 947 6.968 26.367 -7.309 1.00 0.00 C ATOM 501 CG PRO A 947 8.101 25.440 -7.720 1.00 0.00 C ATOM 502 CD PRO A 947 8.230 24.362 -6.656 1.00 0.00 C ATOM 0 HA PRO A 947 5.910 26.337 -5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.314 26.582 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.354 27.322 -6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.895 24.994 -8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 947 9.034 25.996 -7.815 1.00 0.00 H new ATOM 0 HD2 PRO A 947 8.149 23.365 -7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.197 24.414 -6.155 1.00 0.00 H new ATOM 510 N PRO A 948 3.956 25.893 -7.095 1.00 0.00 N ATOM 511 CA PRO A 948 2.666 25.434 -7.580 1.00 0.00 C ATOM 512 C PRO A 948 2.784 24.865 -8.996 1.00 0.00 C ATOM 513 O PRO A 948 1.885 24.169 -9.466 1.00 0.00 O ATOM 514 CB PRO A 948 1.761 26.653 -7.504 1.00 0.00 C ATOM 515 CG PRO A 948 2.687 27.855 -7.421 1.00 0.00 C ATOM 516 CD PRO A 948 4.083 27.348 -7.097 1.00 0.00 C ATOM 0 HA PRO A 948 2.260 24.615 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.117 26.716 -8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.109 26.601 -6.632 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.689 28.401 -8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.345 28.548 -6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.808 27.681 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.424 27.717 -6.130 1.00 0.00 H new ATOM 524 N GLU A 949 3.900 25.182 -9.635 1.00 0.00 N ATOM 525 CA GLU A 949 4.147 24.711 -10.988 1.00 0.00 C ATOM 526 C GLU A 949 4.835 23.344 -10.956 1.00 0.00 C ATOM 527 O GLU A 949 4.837 22.623 -11.953 1.00 0.00 O ATOM 528 CB GLU A 949 4.977 25.724 -11.778 1.00 0.00 C ATOM 529 CG GLU A 949 4.133 26.940 -12.166 1.00 0.00 C ATOM 530 CD GLU A 949 5.009 28.182 -12.341 1.00 0.00 C ATOM 531 OE1 GLU A 949 5.824 28.435 -11.428 1.00 0.00 O ATOM 532 OE2 GLU A 949 4.844 28.850 -13.385 1.00 0.00 O ATOM 0 H GLU A 949 4.643 25.759 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 949 3.188 24.602 -11.495 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.831 26.045 -11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.375 25.252 -12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 949 3.598 26.735 -13.093 1.00 0.00 H new ATOM 0 HG3 GLU A 949 3.382 27.126 -11.398 1.00 0.00 H new ATOM 539 N GLU A 950 5.402 23.030 -9.801 1.00 0.00 N ATOM 540 CA GLU A 950 6.092 21.763 -9.627 1.00 0.00 C ATOM 541 C GLU A 950 5.301 20.853 -8.685 1.00 0.00 C ATOM 542 O GLU A 950 5.659 19.692 -8.491 1.00 0.00 O ATOM 543 CB GLU A 950 7.516 21.980 -9.111 1.00 0.00 C ATOM 544 CG GLU A 950 8.541 21.328 -10.041 1.00 0.00 C ATOM 545 CD GLU A 950 8.870 22.244 -11.222 1.00 0.00 C ATOM 546 OE1 GLU A 950 8.760 23.475 -11.034 1.00 0.00 O ATOM 547 OE2 GLU A 950 9.224 21.693 -12.286 1.00 0.00 O ATOM 0 H GLU A 950 5.398 23.631 -8.977 1.00 0.00 H new ATOM 0 HA GLU A 950 6.163 21.274 -10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.719 23.048 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.611 21.562 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.451 21.104 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.151 20.379 -10.410 1.00 0.00 H new ATOM 554 N TYR A 951 4.240 21.414 -8.124 1.00 0.00 N ATOM 555 CA TYR A 951 3.395 20.668 -7.207 1.00 0.00 C ATOM 556 C TYR A 951 2.237 19.999 -7.950 1.00 0.00 C ATOM 557 O TYR A 951 1.891 18.853 -7.665 1.00 0.00 O ATOM 558 CB TYR A 951 2.829 21.695 -6.225 1.00 0.00 C ATOM 559 CG TYR A 951 1.940 21.090 -5.136 1.00 0.00 C ATOM 560 CD1 TYR A 951 2.236 19.847 -4.615 1.00 0.00 C ATOM 561 CD2 TYR A 951 0.842 21.788 -4.674 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.400 19.278 -3.590 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.006 21.219 -3.650 1.00 0.00 C ATOM 564 CZ TYR A 951 0.326 19.992 -3.158 1.00 0.00 C ATOM 565 OH TYR A 951 -0.464 19.455 -2.190 1.00 0.00 O ATOM 0 H TYR A 951 3.946 22.377 -8.287 1.00 0.00 H new ATOM 0 HA TYR A 951 3.967 19.885 -6.710 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.656 22.225 -5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 951 2.253 22.435 -6.781 1.00 0.00 H new ATOM 0 HD1 TYR A 951 3.095 19.301 -4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.610 22.761 -5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.621 18.306 -3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.856 21.754 -3.280 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.857 20.174 -1.653 1.00 0.00 H new ATOM 575 N VAL A 952 1.669 20.742 -8.889 1.00 0.00 N ATOM 576 CA VAL A 952 0.557 20.235 -9.674 1.00 0.00 C ATOM 577 C VAL A 952 0.886 18.823 -10.163 1.00 0.00 C ATOM 578 O VAL A 952 0.073 17.910 -10.027 1.00 0.00 O ATOM 579 CB VAL A 952 0.238 21.204 -10.815 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.098 20.445 -12.101 1.00 0.00 C ATOM 581 CG2 VAL A 952 -0.896 22.154 -10.427 1.00 0.00 C ATOM 0 H VAL A 952 1.959 21.691 -9.124 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.343 20.166 -9.063 1.00 0.00 H new ATOM 0 HB VAL A 952 1.128 21.805 -11.003 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.321 21.157 -12.896 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.753 19.829 -12.393 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -0.966 19.808 -11.931 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.102 22.832 -11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.792 21.577 -10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.603 22.732 -9.550 1.00 0.00 H new ATOM 591 N PRO A 953 2.111 18.685 -10.738 1.00 0.00 N ATOM 592 CA PRO A 953 2.557 17.399 -11.248 1.00 0.00 C ATOM 593 C PRO A 953 2.949 16.462 -10.104 1.00 0.00 C ATOM 594 O PRO A 953 2.462 15.335 -10.026 1.00 0.00 O ATOM 595 CB PRO A 953 3.718 17.725 -12.174 1.00 0.00 C ATOM 596 CG PRO A 953 4.177 19.122 -11.791 1.00 0.00 C ATOM 597 CD PRO A 953 3.100 19.744 -10.917 1.00 0.00 C ATOM 0 HA PRO A 953 1.774 16.865 -11.786 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.526 17.003 -12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.407 17.689 -13.218 1.00 0.00 H new ATOM 0 HG2 PRO A 953 5.125 19.079 -11.255 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.342 19.727 -12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.507 20.072 -9.960 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.660 20.620 -11.394 1.00 0.00 H new ATOM 605 N MET A 954 3.826 16.962 -9.246 1.00 0.00 N ATOM 606 CA MET A 954 4.289 16.183 -8.110 1.00 0.00 C ATOM 607 C MET A 954 3.193 15.241 -7.608 1.00 0.00 C ATOM 608 O MET A 954 3.416 14.038 -7.476 1.00 0.00 O ATOM 609 CB MET A 954 4.708 17.127 -6.980 1.00 0.00 C ATOM 610 CG MET A 954 6.139 16.835 -6.525 1.00 0.00 C ATOM 611 SD MET A 954 6.252 16.960 -4.748 1.00 0.00 S ATOM 612 CE MET A 954 5.466 18.543 -4.498 1.00 0.00 C ATOM 0 H MET A 954 4.228 17.897 -9.315 1.00 0.00 H new ATOM 0 HA MET A 954 5.141 15.582 -8.428 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.634 18.161 -7.318 1.00 0.00 H new ATOM 0 HB3 MET A 954 4.025 17.017 -6.138 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.435 15.837 -6.847 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.829 17.538 -6.992 1.00 0.00 H new ATOM 0 HE1 MET A 954 5.982 19.084 -3.704 1.00 0.00 H new ATOM 0 HE2 MET A 954 5.512 19.122 -5.421 1.00 0.00 H new ATOM 0 HE3 MET A 954 4.424 18.391 -4.216 1.00 0.00 H new ATOM 622 N VAL A 955 2.033 15.823 -7.341 1.00 0.00 N ATOM 623 CA VAL A 955 0.902 15.050 -6.856 1.00 0.00 C ATOM 624 C VAL A 955 0.401 14.132 -7.973 1.00 0.00 C ATOM 625 O VAL A 955 0.266 12.926 -7.777 1.00 0.00 O ATOM 626 CB VAL A 955 -0.182 15.988 -6.321 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.512 15.250 -6.155 1.00 0.00 C ATOM 628 CG2 VAL A 955 0.254 16.637 -5.006 1.00 0.00 C ATOM 0 H VAL A 955 1.852 16.821 -7.451 1.00 0.00 H new ATOM 0 HA VAL A 955 1.202 14.414 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.329 16.782 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.265 15.939 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -1.834 14.859 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.386 14.426 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.535 17.299 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.443 15.862 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 955 1.165 17.213 -5.169 1.00 0.00 H new ATOM 638 N LYS A 956 0.137 14.740 -9.121 1.00 0.00 N ATOM 639 CA LYS A 956 -0.346 13.992 -10.269 1.00 0.00 C ATOM 640 C LYS A 956 0.408 12.665 -10.363 1.00 0.00 C ATOM 641 O LYS A 956 -0.153 11.656 -10.789 1.00 0.00 O ATOM 642 CB LYS A 956 -0.256 14.842 -11.539 1.00 0.00 C ATOM 643 CG LYS A 956 -1.309 15.952 -11.532 1.00 0.00 C ATOM 644 CD LYS A 956 -2.631 15.457 -12.121 1.00 0.00 C ATOM 645 CE LYS A 956 -2.893 16.091 -13.488 1.00 0.00 C ATOM 646 NZ LYS A 956 -4.147 16.878 -13.463 1.00 0.00 N ATOM 0 H LYS A 956 0.249 15.741 -9.280 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.402 13.750 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.739 15.280 -11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.396 14.209 -12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.469 16.300 -10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -0.947 16.805 -12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -2.606 14.372 -12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -3.449 15.698 -11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -2.058 16.735 -13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -2.960 15.314 -14.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -4.310 17.302 -14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -4.944 16.254 -13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -4.070 17.632 -12.751 1.00 0.00 H new ATOM 660 N GLU A 957 1.669 12.708 -9.958 1.00 0.00 N ATOM 661 CA GLU A 957 2.507 11.521 -9.991 1.00 0.00 C ATOM 662 C GLU A 957 2.043 10.515 -8.936 1.00 0.00 C ATOM 663 O GLU A 957 1.722 9.372 -9.261 1.00 0.00 O ATOM 664 CB GLU A 957 3.980 11.883 -9.793 1.00 0.00 C ATOM 665 CG GLU A 957 4.780 10.675 -9.302 1.00 0.00 C ATOM 666 CD GLU A 957 6.269 10.841 -9.613 1.00 0.00 C ATOM 667 OE1 GLU A 957 6.569 11.210 -10.769 1.00 0.00 O ATOM 668 OE2 GLU A 957 7.073 10.595 -8.689 1.00 0.00 O ATOM 0 H GLU A 957 2.131 13.546 -9.605 1.00 0.00 H new ATOM 0 HA GLU A 957 2.410 11.059 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 957 4.399 12.244 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.065 12.697 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 957 4.640 10.554 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 957 4.405 9.768 -9.776 1.00 0.00 H new ATOM 675 N VAL A 958 2.022 10.975 -7.694 1.00 0.00 N ATOM 676 CA VAL A 958 1.603 10.130 -6.589 1.00 0.00 C ATOM 677 C VAL A 958 0.299 9.421 -6.961 1.00 0.00 C ATOM 678 O VAL A 958 0.104 8.255 -6.622 1.00 0.00 O ATOM 679 CB VAL A 958 1.488 10.960 -5.309 1.00 0.00 C ATOM 680 CG1 VAL A 958 0.045 11.414 -5.078 1.00 0.00 C ATOM 681 CG2 VAL A 958 2.018 10.184 -4.102 1.00 0.00 C ATOM 0 H VAL A 958 2.289 11.923 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 958 2.348 9.359 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 958 2.104 11.851 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.009 12.002 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.284 12.023 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -0.601 10.541 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 958 1.924 10.797 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 958 1.441 9.268 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 958 3.067 9.934 -4.262 1.00 0.00 H new ATOM 691 N GLY A 959 -0.560 10.155 -7.653 1.00 0.00 N ATOM 692 CA GLY A 959 -1.840 9.612 -8.074 1.00 0.00 C ATOM 693 C GLY A 959 -1.646 8.432 -9.030 1.00 0.00 C ATOM 694 O GLY A 959 -2.373 7.442 -8.954 1.00 0.00 O ATOM 0 H GLY A 959 -0.394 11.122 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.407 9.288 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.426 10.390 -8.564 1.00 0.00 H new ATOM 698 N LEU A 960 -0.663 8.577 -9.906 1.00 0.00 N ATOM 699 CA LEU A 960 -0.365 7.536 -10.875 1.00 0.00 C ATOM 700 C LEU A 960 0.137 6.291 -10.141 1.00 0.00 C ATOM 701 O LEU A 960 -0.182 5.167 -10.526 1.00 0.00 O ATOM 702 CB LEU A 960 0.604 8.055 -11.939 1.00 0.00 C ATOM 703 CG LEU A 960 0.149 7.903 -13.392 1.00 0.00 C ATOM 704 CD1 LEU A 960 1.082 8.660 -14.340 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.018 6.428 -13.773 1.00 0.00 C ATOM 0 H LEU A 960 -0.063 9.399 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.268 7.247 -11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.792 9.111 -11.747 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.555 7.535 -11.821 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.841 8.350 -13.490 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.737 8.536 -15.366 1.00 0.00 H new ATOM 0 HD12 LEU A 960 1.081 9.719 -14.082 1.00 0.00 H new ATOM 0 HD13 LEU A 960 2.094 8.265 -14.247 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -0.307 6.348 -14.810 1.00 0.00 H new ATOM 0 HD22 LEU A 960 0.983 5.935 -13.655 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.716 5.949 -13.125 1.00 0.00 H new ATOM 717 N ALA A 961 0.916 6.532 -9.096 1.00 0.00 N ATOM 718 CA ALA A 961 1.465 5.445 -8.305 1.00 0.00 C ATOM 719 C ALA A 961 0.325 4.556 -7.806 1.00 0.00 C ATOM 720 O ALA A 961 0.310 3.354 -8.066 1.00 0.00 O ATOM 721 CB ALA A 961 2.302 6.018 -7.160 1.00 0.00 C ATOM 0 H ALA A 961 1.180 7.465 -8.779 1.00 0.00 H new ATOM 0 HA ALA A 961 2.125 4.825 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.714 5.202 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.116 6.616 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 961 1.673 6.645 -6.528 1.00 0.00 H new ATOM 727 N LEU A 962 -0.604 5.182 -7.097 1.00 0.00 N ATOM 728 CA LEU A 962 -1.746 4.463 -6.559 1.00 0.00 C ATOM 729 C LEU A 962 -2.397 3.641 -7.673 1.00 0.00 C ATOM 730 O LEU A 962 -2.678 2.457 -7.494 1.00 0.00 O ATOM 731 CB LEU A 962 -2.708 5.428 -5.864 1.00 0.00 C ATOM 732 CG LEU A 962 -2.332 5.840 -4.440 1.00 0.00 C ATOM 733 CD1 LEU A 962 -2.425 4.651 -3.482 1.00 0.00 C ATOM 734 CD2 LEU A 962 -0.951 6.497 -4.405 1.00 0.00 C ATOM 0 H LEU A 962 -0.589 6.179 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.426 3.760 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.790 6.329 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.696 4.969 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.051 6.585 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -2.152 4.972 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -3.445 4.267 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -1.744 3.866 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -0.709 6.780 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.204 5.794 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -0.955 7.386 -5.036 1.00 0.00 H new ATOM 746 N ARG A 963 -2.618 4.302 -8.800 1.00 0.00 N ATOM 747 CA ARG A 963 -3.231 3.648 -9.944 1.00 0.00 C ATOM 748 C ARG A 963 -2.562 2.297 -10.204 1.00 0.00 C ATOM 749 O ARG A 963 -3.239 1.277 -10.319 1.00 0.00 O ATOM 750 CB ARG A 963 -3.120 4.515 -11.199 1.00 0.00 C ATOM 751 CG ARG A 963 -4.030 3.990 -12.311 1.00 0.00 C ATOM 752 CD ARG A 963 -5.174 4.967 -12.592 1.00 0.00 C ATOM 753 NE ARG A 963 -4.720 6.021 -13.526 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.475 7.059 -13.911 1.00 0.00 C ATOM 755 NH1 ARG A 963 -6.724 7.189 -13.444 1.00 0.00 N ATOM 756 NH2 ARG A 963 -4.981 7.968 -14.763 1.00 0.00 N ATOM 0 H ARG A 963 -2.383 5.284 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.286 3.497 -9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -3.389 5.544 -10.959 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -2.087 4.528 -11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -3.448 3.836 -13.219 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -4.437 3.020 -12.025 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.023 4.433 -13.018 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -5.516 5.418 -11.660 1.00 0.00 H new ATOM 0 HE ARG A 963 -3.773 5.953 -13.900 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -7.100 6.498 -12.795 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -7.298 7.979 -13.737 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -4.030 7.870 -15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -5.556 8.758 -15.056 1.00 0.00 H new ATOM 770 N THR A 964 -1.240 2.335 -10.290 1.00 0.00 N ATOM 771 CA THR A 964 -0.472 1.126 -10.535 1.00 0.00 C ATOM 772 C THR A 964 -0.624 0.151 -9.365 1.00 0.00 C ATOM 773 O THR A 964 -0.962 -1.015 -9.564 1.00 0.00 O ATOM 774 CB THR A 964 0.979 1.533 -10.801 1.00 0.00 C ATOM 775 OG1 THR A 964 0.957 2.047 -12.130 1.00 0.00 O ATOM 776 CG2 THR A 964 1.920 0.330 -10.881 1.00 0.00 C ATOM 0 H THR A 964 -0.682 3.183 -10.194 1.00 0.00 H new ATOM 0 HA THR A 964 -0.842 0.594 -11.411 1.00 0.00 H new ATOM 0 HB THR A 964 1.318 2.205 -10.013 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.858 2.336 -12.384 1.00 0.00 H new ATOM 0 HG21 THR A 964 2.936 0.675 -11.071 1.00 0.00 H new ATOM 0 HG22 THR A 964 1.893 -0.217 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.603 -0.327 -11.691 1.00 0.00 H new ATOM 784 N LEU A 965 -0.368 0.665 -8.171 1.00 0.00 N ATOM 785 CA LEU A 965 -0.473 -0.146 -6.970 1.00 0.00 C ATOM 786 C LEU A 965 -1.686 -1.071 -7.088 1.00 0.00 C ATOM 787 O LEU A 965 -1.630 -2.229 -6.676 1.00 0.00 O ATOM 788 CB LEU A 965 -0.496 0.742 -5.724 1.00 0.00 C ATOM 789 CG LEU A 965 -1.411 0.281 -4.588 1.00 0.00 C ATOM 790 CD1 LEU A 965 -0.759 0.524 -3.226 1.00 0.00 C ATOM 791 CD2 LEU A 965 -2.787 0.940 -4.691 1.00 0.00 C ATOM 0 H LEU A 965 -0.088 1.633 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 965 0.405 -0.783 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.520 0.817 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -0.799 1.746 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 965 -1.561 -0.794 -4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.430 0.187 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 965 0.178 -0.030 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -0.559 1.588 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -3.418 0.595 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.677 2.023 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -3.248 0.672 -5.642 1.00 0.00 H new ATOM 803 N LEU A 966 -2.753 -0.525 -7.652 1.00 0.00 N ATOM 804 CA LEU A 966 -3.978 -1.287 -7.829 1.00 0.00 C ATOM 805 C LEU A 966 -3.712 -2.458 -8.778 1.00 0.00 C ATOM 806 O LEU A 966 -3.843 -3.618 -8.390 1.00 0.00 O ATOM 807 CB LEU A 966 -5.116 -0.373 -8.285 1.00 0.00 C ATOM 808 CG LEU A 966 -5.787 0.460 -7.191 1.00 0.00 C ATOM 809 CD1 LEU A 966 -5.316 1.915 -7.244 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.311 0.348 -7.272 1.00 0.00 C ATOM 0 H LEU A 966 -2.795 0.436 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.303 -1.712 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.728 0.306 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -5.878 -0.987 -8.765 1.00 0.00 H new ATOM 0 HG LEU A 966 -5.486 0.058 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.808 2.486 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -4.236 1.953 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -5.568 2.344 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -7.762 0.950 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.651 0.708 -8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -7.606 -0.694 -7.148 1.00 0.00 H new ATOM 822 N ALA A 967 -3.343 -2.114 -10.003 1.00 0.00 N ATOM 823 CA ALA A 967 -3.058 -3.122 -11.010 1.00 0.00 C ATOM 824 C ALA A 967 -2.100 -4.162 -10.426 1.00 0.00 C ATOM 825 O ALA A 967 -2.420 -5.349 -10.380 1.00 0.00 O ATOM 826 CB ALA A 967 -2.494 -2.448 -12.262 1.00 0.00 C ATOM 0 H ALA A 967 -3.235 -1.151 -10.321 1.00 0.00 H new ATOM 0 HA ALA A 967 -3.971 -3.641 -11.303 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.280 -3.204 -13.017 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.224 -1.740 -12.654 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.575 -1.919 -12.008 1.00 0.00 H new ATOM 832 N THR A 968 -0.944 -3.680 -9.995 1.00 0.00 N ATOM 833 CA THR A 968 0.062 -4.553 -9.416 1.00 0.00 C ATOM 834 C THR A 968 -0.552 -5.417 -8.313 1.00 0.00 C ATOM 835 O THR A 968 -0.253 -6.606 -8.212 1.00 0.00 O ATOM 836 CB THR A 968 1.222 -3.681 -8.931 1.00 0.00 C ATOM 837 OG1 THR A 968 0.645 -2.874 -7.908 1.00 0.00 O ATOM 838 CG2 THR A 968 1.680 -2.674 -9.987 1.00 0.00 C ATOM 0 H THR A 968 -0.682 -2.695 -10.035 1.00 0.00 H new ATOM 0 HA THR A 968 0.450 -5.254 -10.155 1.00 0.00 H new ATOM 0 HB THR A 968 2.061 -4.317 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 968 1.328 -2.654 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.505 -2.081 -9.591 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.011 -3.207 -10.878 1.00 0.00 H new ATOM 0 HG23 THR A 968 0.851 -2.015 -10.245 1.00 0.00 H new ATOM 846 N VAL A 969 -1.399 -4.786 -7.514 1.00 0.00 N ATOM 847 CA VAL A 969 -2.058 -5.482 -6.422 1.00 0.00 C ATOM 848 C VAL A 969 -2.917 -6.615 -6.989 1.00 0.00 C ATOM 849 O VAL A 969 -2.925 -7.721 -6.452 1.00 0.00 O ATOM 850 CB VAL A 969 -2.860 -4.490 -5.577 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.999 -5.195 -4.837 1.00 0.00 C ATOM 852 CG2 VAL A 969 -1.951 -3.743 -4.599 1.00 0.00 C ATOM 0 H VAL A 969 -1.644 -3.800 -7.601 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.321 -5.933 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.302 -3.756 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.553 -4.467 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.669 -5.660 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.587 -5.960 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.546 -3.044 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.467 -4.458 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.191 -3.194 -5.155 1.00 0.00 H new ATOM 862 N ASP A 970 -3.618 -6.299 -8.068 1.00 0.00 N ATOM 863 CA ASP A 970 -4.478 -7.276 -8.714 1.00 0.00 C ATOM 864 C ASP A 970 -3.699 -8.577 -8.921 1.00 0.00 C ATOM 865 O ASP A 970 -4.252 -9.666 -8.774 1.00 0.00 O ATOM 866 CB ASP A 970 -4.943 -6.780 -10.085 1.00 0.00 C ATOM 867 CG ASP A 970 -6.344 -7.235 -10.496 1.00 0.00 C ATOM 868 OD1 ASP A 970 -7.216 -7.268 -9.601 1.00 0.00 O ATOM 869 OD2 ASP A 970 -6.513 -7.540 -11.697 1.00 0.00 O ATOM 0 H ASP A 970 -3.608 -5.380 -8.511 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.346 -7.436 -8.075 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -4.916 -5.690 -10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.232 -7.119 -10.838 1.00 0.00 H new ATOM 874 N GLU A 971 -2.428 -8.420 -9.259 1.00 0.00 N ATOM 875 CA GLU A 971 -1.567 -9.569 -9.488 1.00 0.00 C ATOM 876 C GLU A 971 -1.166 -10.205 -8.155 1.00 0.00 C ATOM 877 O GLU A 971 -0.850 -11.392 -8.101 1.00 0.00 O ATOM 878 CB GLU A 971 -0.332 -9.175 -10.301 1.00 0.00 C ATOM 879 CG GLU A 971 -0.707 -8.868 -11.752 1.00 0.00 C ATOM 880 CD GLU A 971 0.521 -8.937 -12.662 1.00 0.00 C ATOM 881 OE1 GLU A 971 1.342 -7.998 -12.580 1.00 0.00 O ATOM 882 OE2 GLU A 971 0.612 -9.928 -13.419 1.00 0.00 O ATOM 0 H GLU A 971 -1.973 -7.515 -9.380 1.00 0.00 H new ATOM 0 HA GLU A 971 -2.123 -10.306 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.141 -8.302 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 971 0.399 -9.983 -10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.459 -9.579 -12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -1.154 -7.876 -11.814 1.00 0.00 H new ATOM 889 N SER A 972 -1.193 -9.387 -7.114 1.00 0.00 N ATOM 890 CA SER A 972 -0.836 -9.855 -5.785 1.00 0.00 C ATOM 891 C SER A 972 -2.053 -10.492 -5.110 1.00 0.00 C ATOM 892 O SER A 972 -1.907 -11.361 -4.252 1.00 0.00 O ATOM 893 CB SER A 972 -0.291 -8.712 -4.926 1.00 0.00 C ATOM 894 OG SER A 972 -0.541 -8.921 -3.539 1.00 0.00 O ATOM 0 H SER A 972 -1.456 -8.403 -7.163 1.00 0.00 H new ATOM 0 HA SER A 972 -0.051 -10.604 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.782 -8.615 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 972 -0.748 -7.773 -5.239 1.00 0.00 H new ATOM 0 HG SER A 972 -0.177 -8.171 -3.024 1.00 0.00 H new ATOM 900 N LEU A 973 -3.226 -10.035 -5.525 1.00 0.00 N ATOM 901 CA LEU A 973 -4.467 -10.549 -4.971 1.00 0.00 C ATOM 902 C LEU A 973 -4.369 -12.070 -4.837 1.00 0.00 C ATOM 903 O LEU A 973 -4.610 -12.619 -3.763 1.00 0.00 O ATOM 904 CB LEU A 973 -5.660 -10.081 -5.806 1.00 0.00 C ATOM 905 CG LEU A 973 -6.806 -9.427 -5.030 1.00 0.00 C ATOM 906 CD1 LEU A 973 -8.159 -9.770 -5.658 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.750 -9.803 -3.548 1.00 0.00 C ATOM 0 H LEU A 973 -3.343 -9.315 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.632 -10.150 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.301 -9.371 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -6.058 -10.939 -6.348 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.687 -8.345 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -8.956 -9.293 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -8.184 -9.411 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.302 -10.851 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.575 -9.325 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.831 -10.885 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -5.804 -9.467 -3.123 1.00 0.00 H new ATOM 919 N PRO A 974 -4.006 -12.725 -5.972 1.00 0.00 N ATOM 920 CA PRO A 974 -3.873 -14.172 -5.992 1.00 0.00 C ATOM 921 C PRO A 974 -2.590 -14.615 -5.285 1.00 0.00 C ATOM 922 O PRO A 974 -2.566 -15.654 -4.628 1.00 0.00 O ATOM 923 CB PRO A 974 -3.901 -14.550 -7.464 1.00 0.00 C ATOM 924 CG PRO A 974 -3.581 -13.275 -8.227 1.00 0.00 C ATOM 925 CD PRO A 974 -3.713 -12.108 -7.262 1.00 0.00 C ATOM 0 HA PRO A 974 -4.674 -14.675 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -3.170 -15.329 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.878 -14.941 -7.749 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.572 -13.319 -8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -4.262 -13.153 -9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.795 -11.522 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.510 -11.430 -7.567 1.00 0.00 H new ATOM 933 N VAL A 975 -1.555 -13.803 -5.443 1.00 0.00 N ATOM 934 CA VAL A 975 -0.272 -14.098 -4.829 1.00 0.00 C ATOM 935 C VAL A 975 -0.490 -14.483 -3.364 1.00 0.00 C ATOM 936 O VAL A 975 0.243 -15.307 -2.820 1.00 0.00 O ATOM 937 CB VAL A 975 0.676 -12.909 -5.000 1.00 0.00 C ATOM 938 CG1 VAL A 975 1.899 -13.048 -4.091 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.094 -12.748 -6.463 1.00 0.00 C ATOM 0 H VAL A 975 -1.579 -12.941 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 975 0.201 -14.947 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 975 0.140 -12.007 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.557 -12.190 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.576 -13.091 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.437 -13.962 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 975 1.767 -11.896 -6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.603 -13.652 -6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.210 -12.581 -7.078 1.00 0.00 H new ATOM 949 N LEU A 976 -1.500 -13.868 -2.768 1.00 0.00 N ATOM 950 CA LEU A 976 -1.823 -14.136 -1.376 1.00 0.00 C ATOM 951 C LEU A 976 -3.104 -14.971 -1.307 1.00 0.00 C ATOM 952 O LEU A 976 -3.981 -14.841 -2.159 1.00 0.00 O ATOM 953 CB LEU A 976 -1.897 -12.830 -0.582 1.00 0.00 C ATOM 954 CG LEU A 976 -0.578 -12.072 -0.415 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.322 -12.757 0.614 1.00 0.00 C ATOM 956 CD2 LEU A 976 0.125 -11.891 -1.762 1.00 0.00 C ATOM 0 H LEU A 976 -2.106 -13.185 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 976 -1.033 -14.723 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.613 -12.170 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.294 -13.052 0.409 1.00 0.00 H new ATOM 0 HG LEU A 976 -0.803 -11.076 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.252 -12.198 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -0.186 -12.789 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.542 -13.773 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 976 1.059 -11.349 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 976 0.336 -12.868 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -0.519 -11.326 -2.436 1.00 0.00 H new ATOM 968 N PRO A 977 -3.172 -15.832 -0.256 1.00 0.00 N ATOM 969 CA PRO A 977 -4.330 -16.688 -0.064 1.00 0.00 C ATOM 970 C PRO A 977 -5.520 -15.888 0.470 1.00 0.00 C ATOM 971 O PRO A 977 -5.344 -14.812 1.040 1.00 0.00 O ATOM 972 CB PRO A 977 -3.864 -17.771 0.896 1.00 0.00 C ATOM 973 CG PRO A 977 -2.614 -17.224 1.566 1.00 0.00 C ATOM 974 CD PRO A 977 -2.151 -16.012 0.773 1.00 0.00 C ATOM 0 HA PRO A 977 -4.688 -17.127 -0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.635 -17.998 1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.648 -18.698 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -2.825 -16.946 2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -1.832 -17.983 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.069 -15.130 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.169 -16.179 0.331 1.00 0.00 H new ATOM 982 N ALA A 978 -6.705 -16.445 0.266 1.00 0.00 N ATOM 983 CA ALA A 978 -7.924 -15.797 0.720 1.00 0.00 C ATOM 984 C ALA A 978 -7.787 -15.442 2.202 1.00 0.00 C ATOM 985 O ALA A 978 -6.783 -15.771 2.832 1.00 0.00 O ATOM 986 CB ALA A 978 -9.120 -16.712 0.448 1.00 0.00 C ATOM 0 H ALA A 978 -6.847 -17.337 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.092 -14.869 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -10.035 -16.226 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -9.191 -16.910 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.988 -17.652 0.983 1.00 0.00 H new ATOM 992 N SER A 979 -8.810 -14.775 2.715 1.00 0.00 N ATOM 993 CA SER A 979 -8.816 -14.372 4.111 1.00 0.00 C ATOM 994 C SER A 979 -8.134 -13.012 4.266 1.00 0.00 C ATOM 995 O SER A 979 -8.312 -12.336 5.278 1.00 0.00 O ATOM 996 CB SER A 979 -8.123 -15.416 4.989 1.00 0.00 C ATOM 997 OG SER A 979 -8.719 -15.508 6.280 1.00 0.00 O ATOM 0 H SER A 979 -9.641 -14.503 2.189 1.00 0.00 H new ATOM 0 HA SER A 979 -9.852 -14.291 4.439 1.00 0.00 H new ATOM 0 HB2 SER A 979 -8.167 -16.389 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 979 -7.069 -15.160 5.094 1.00 0.00 H new ATOM 0 HG SER A 979 -8.866 -16.450 6.506 1.00 0.00 H new ATOM 1003 N THR A 980 -7.368 -12.650 3.247 1.00 0.00 N ATOM 1004 CA THR A 980 -6.659 -11.382 3.257 1.00 0.00 C ATOM 1005 C THR A 980 -7.167 -10.478 2.132 1.00 0.00 C ATOM 1006 O THR A 980 -6.873 -9.284 2.111 1.00 0.00 O ATOM 1007 CB THR A 980 -5.160 -11.678 3.168 1.00 0.00 C ATOM 1008 OG1 THR A 980 -4.543 -10.503 3.686 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.663 -11.755 1.723 1.00 0.00 C ATOM 0 H THR A 980 -7.223 -13.213 2.409 1.00 0.00 H new ATOM 0 HA THR A 980 -6.843 -10.833 4.181 1.00 0.00 H new ATOM 0 HB THR A 980 -4.945 -12.618 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 980 -3.956 -10.744 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.594 -11.967 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 980 -5.193 -12.549 1.198 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.847 -10.804 1.224 1.00 0.00 H new ATOM 1017 N HIS A 981 -7.921 -11.082 1.225 1.00 0.00 N ATOM 1018 CA HIS A 981 -8.472 -10.346 0.101 1.00 0.00 C ATOM 1019 C HIS A 981 -9.519 -9.350 0.603 1.00 0.00 C ATOM 1020 O HIS A 981 -9.409 -8.150 0.355 1.00 0.00 O ATOM 1021 CB HIS A 981 -9.025 -11.304 -0.957 1.00 0.00 C ATOM 1022 CG HIS A 981 -8.053 -12.381 -1.378 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -8.364 -13.343 -2.322 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -6.776 -12.636 -0.974 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -7.314 -14.137 -2.471 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -6.331 -13.697 -1.634 1.00 0.00 N ATOM 0 H HIS A 981 -8.163 -12.073 1.246 1.00 0.00 H new ATOM 0 HA HIS A 981 -7.682 -9.775 -0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -9.928 -11.775 -0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -9.318 -10.729 -1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -6.221 -12.070 -0.241 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -7.248 -14.984 -3.138 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -5.406 -14.115 -1.532 1.00 0.00 H new ATOM 1034 N ARG A 982 -10.511 -9.884 1.300 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.577 -9.057 1.840 1.00 0.00 C ATOM 1036 C ARG A 982 -11.016 -7.719 2.326 1.00 0.00 C ATOM 1037 O ARG A 982 -11.213 -6.689 1.682 1.00 0.00 O ATOM 1038 CB ARG A 982 -12.284 -9.758 3.002 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.562 -10.452 2.527 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.132 -11.357 3.621 1.00 0.00 C ATOM 1041 NE ARG A 982 -13.520 -12.702 3.536 1.00 0.00 N ATOM 1042 CZ ARG A 982 -13.784 -13.587 2.564 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -14.649 -13.275 1.590 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -13.182 -14.784 2.567 1.00 0.00 N ATOM 0 H ARG A 982 -10.599 -10.880 1.503 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.299 -8.884 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -11.614 -10.490 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -12.527 -9.031 3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -14.303 -9.704 2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.350 -11.042 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -13.939 -10.922 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -15.214 -11.433 3.514 1.00 0.00 H new ATOM 0 HE ARG A 982 -12.856 -12.972 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -15.107 -12.364 1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -14.849 -13.949 0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -12.523 -15.022 3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -13.383 -15.458 1.828 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.329 -7.777 3.457 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.738 -6.583 4.036 1.00 0.00 C ATOM 1060 C GLU A 983 -8.917 -5.833 2.985 1.00 0.00 C ATOM 1061 O GLU A 983 -8.969 -4.606 2.910 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.882 -6.931 5.256 1.00 0.00 C ATOM 1063 CG GLU A 983 -9.141 -5.954 6.404 1.00 0.00 C ATOM 1064 CD GLU A 983 -9.205 -6.689 7.745 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -8.116 -6.989 8.280 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -10.342 -6.933 8.204 1.00 0.00 O ATOM 0 H GLU A 983 -10.168 -8.633 3.988 1.00 0.00 H new ATOM 0 HA GLU A 983 -10.543 -5.930 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -9.103 -7.947 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.827 -6.906 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -8.351 -5.204 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -10.077 -5.424 6.231 1.00 0.00 H new ATOM 1073 N ILE A 984 -8.178 -6.602 2.199 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.347 -6.026 1.156 1.00 0.00 C ATOM 1075 C ILE A 984 -8.205 -5.125 0.266 1.00 0.00 C ATOM 1076 O ILE A 984 -7.807 -4.008 -0.060 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.610 -7.126 0.389 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.272 -7.456 1.054 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.441 -6.749 -1.084 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.624 -8.681 0.405 1.00 0.00 C ATOM 0 H ILE A 984 -8.138 -7.619 2.264 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.570 -5.398 1.592 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.217 -8.031 0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.601 -6.600 0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.426 -7.642 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.914 -7.548 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -7.422 -6.604 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.867 -5.826 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.675 -8.894 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.286 -9.540 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.449 -8.483 -0.652 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.366 -5.645 -0.103 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.284 -4.901 -0.950 1.00 0.00 C ATOM 1094 C GLU A 985 -10.598 -3.541 -0.324 1.00 0.00 C ATOM 1095 O GLU A 985 -10.541 -2.515 -1.000 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.565 -5.698 -1.202 1.00 0.00 C ATOM 1097 CG GLU A 985 -12.088 -5.463 -2.620 1.00 0.00 C ATOM 1098 CD GLU A 985 -13.483 -4.835 -2.594 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.544 -3.595 -2.443 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -14.456 -5.608 -2.725 1.00 0.00 O ATOM 0 H GLU A 985 -9.693 -6.572 0.169 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.804 -4.733 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.371 -6.760 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.326 -5.408 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -11.402 -4.811 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -12.121 -6.409 -3.160 1.00 0.00 H new ATOM 1107 N MET A 986 -10.924 -3.576 0.959 1.00 0.00 N ATOM 1108 CA MET A 986 -11.248 -2.359 1.683 1.00 0.00 C ATOM 1109 C MET A 986 -9.989 -1.534 1.960 1.00 0.00 C ATOM 1110 O MET A 986 -10.053 -0.309 2.053 1.00 0.00 O ATOM 1111 CB MET A 986 -11.926 -2.717 3.007 1.00 0.00 C ATOM 1112 CG MET A 986 -13.449 -2.729 2.858 1.00 0.00 C ATOM 1113 SD MET A 986 -14.147 -4.047 3.839 1.00 0.00 S ATOM 1114 CE MET A 986 -13.960 -5.411 2.704 1.00 0.00 C ATOM 0 H MET A 986 -10.971 -4.429 1.517 1.00 0.00 H new ATOM 0 HA MET A 986 -11.923 -1.762 1.069 1.00 0.00 H new ATOM 0 HB2 MET A 986 -11.582 -3.695 3.343 1.00 0.00 H new ATOM 0 HB3 MET A 986 -11.638 -1.998 3.773 1.00 0.00 H new ATOM 0 HG2 MET A 986 -13.861 -1.771 3.175 1.00 0.00 H new ATOM 0 HG3 MET A 986 -13.719 -2.862 1.810 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.926 -5.648 2.258 1.00 0.00 H new ATOM 0 HE2 MET A 986 -13.255 -5.137 1.919 1.00 0.00 H new ATOM 0 HE3 MET A 986 -13.584 -6.282 3.241 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.874 -2.239 2.084 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.603 -1.588 2.348 1.00 0.00 C ATOM 1126 C ALA A 987 -7.216 -0.727 1.145 1.00 0.00 C ATOM 1127 O ALA A 987 -6.461 0.235 1.282 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.545 -2.645 2.673 1.00 0.00 C ATOM 0 H ALA A 987 -8.825 -3.255 2.006 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.682 -0.929 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.591 -2.156 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.853 -3.210 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.436 -3.323 1.827 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.750 -1.103 -0.008 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.470 -0.377 -1.235 1.00 0.00 C ATOM 1136 C GLN A 988 -8.343 0.877 -1.321 1.00 0.00 C ATOM 1137 O GLN A 988 -7.857 1.953 -1.667 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.673 -1.272 -2.460 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.569 -2.327 -2.557 1.00 0.00 C ATOM 1140 CD GLN A 988 -5.896 -2.292 -3.931 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -6.315 -2.946 -4.872 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -4.833 -1.495 -3.993 1.00 0.00 N ATOM 0 H GLN A 988 -8.375 -1.901 -0.118 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.425 -0.068 -1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.645 -1.762 -2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -7.679 -0.662 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -5.825 -2.153 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -6.990 -3.317 -2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -4.536 -0.976 -3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -4.315 -1.403 -4.867 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.616 0.696 -1.001 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.561 1.799 -1.038 1.00 0.00 C ATOM 1153 C LYS A 989 -10.088 2.901 -0.088 1.00 0.00 C ATOM 1154 O LYS A 989 -10.224 4.086 -0.391 1.00 0.00 O ATOM 1155 CB LYS A 989 -11.977 1.301 -0.746 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.015 2.106 -1.531 1.00 0.00 C ATOM 1157 CD LYS A 989 -14.394 2.011 -0.875 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.422 1.422 -1.842 1.00 0.00 C ATOM 1159 NZ LYS A 989 -15.673 2.354 -2.964 1.00 0.00 N ATOM 0 H LYS A 989 -10.015 -0.198 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.601 2.234 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.056 0.246 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.181 1.381 0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -12.706 3.150 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -13.069 1.736 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -14.333 1.390 0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -14.717 3.001 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.062 0.468 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -16.354 1.221 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -16.538 2.069 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -15.789 3.319 -2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -14.868 2.330 -3.622 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.544 2.472 1.041 1.00 0.00 N ATOM 1174 CA LEU A 990 -9.050 3.409 2.036 1.00 0.00 C ATOM 1175 C LEU A 990 -7.918 4.240 1.431 1.00 0.00 C ATOM 1176 O LEU A 990 -8.008 5.466 1.368 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.655 2.670 3.317 1.00 0.00 C ATOM 1178 CG LEU A 990 -9.045 3.349 4.631 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -8.660 2.483 5.831 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.446 4.754 4.722 1.00 0.00 C ATOM 0 H LEU A 990 -9.434 1.489 1.289 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.836 4.106 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -9.108 1.679 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -7.574 2.527 3.312 1.00 0.00 H new ATOM 0 HG LEU A 990 -10.129 3.460 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.948 2.989 6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -9.174 1.524 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -7.583 2.318 5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.739 5.214 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.359 4.690 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.813 5.360 3.894 1.00 0.00 H new ATOM 1192 N LEU A 991 -6.878 3.541 1.001 1.00 0.00 N ATOM 1193 CA LEU A 991 -5.729 4.200 0.404 1.00 0.00 C ATOM 1194 C LEU A 991 -6.200 5.099 -0.741 1.00 0.00 C ATOM 1195 O LEU A 991 -5.748 6.236 -0.869 1.00 0.00 O ATOM 1196 CB LEU A 991 -4.679 3.170 -0.017 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.447 3.722 -0.736 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -2.528 4.461 0.238 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -2.710 2.614 -1.491 1.00 0.00 C ATOM 0 H LEU A 991 -6.807 2.525 1.054 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.237 4.843 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -4.346 2.635 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.157 2.438 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 991 -3.781 4.449 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -1.660 4.843 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.070 5.292 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.198 3.775 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -1.838 3.034 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -2.389 1.846 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.377 2.172 -2.231 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.104 4.556 -1.544 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.641 5.295 -2.674 1.00 0.00 C ATOM 1213 C ASN A 992 -8.395 6.524 -2.161 1.00 0.00 C ATOM 1214 O ASN A 992 -8.263 7.614 -2.717 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.624 4.438 -3.475 1.00 0.00 C ATOM 1216 CG ASN A 992 -7.906 3.682 -4.594 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -7.638 4.209 -5.662 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -7.609 2.421 -4.292 1.00 0.00 N ATOM 0 H ASN A 992 -7.478 3.613 -1.434 1.00 0.00 H new ATOM 0 HA ASN A 992 -6.808 5.584 -3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -9.118 3.729 -2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.402 5.072 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -7.128 1.833 -4.973 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -7.862 2.042 -3.379 1.00 0.00 H new ATOM 1225 N SER A 993 -9.168 6.308 -1.108 1.00 0.00 N ATOM 1226 CA SER A 993 -9.943 7.385 -0.514 1.00 0.00 C ATOM 1227 C SER A 993 -9.033 8.577 -0.209 1.00 0.00 C ATOM 1228 O SER A 993 -9.158 9.632 -0.829 1.00 0.00 O ATOM 1229 CB SER A 993 -10.650 6.917 0.759 1.00 0.00 C ATOM 1230 OG SER A 993 -12.051 7.174 0.717 1.00 0.00 O ATOM 0 H SER A 993 -9.275 5.403 -0.650 1.00 0.00 H new ATOM 0 HA SER A 993 -10.706 7.692 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 993 -10.481 5.849 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 993 -10.215 7.421 1.622 1.00 0.00 H new ATOM 0 HG SER A 993 -12.466 6.859 1.547 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.138 8.369 0.745 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.209 9.413 1.140 1.00 0.00 C ATOM 1238 C ASP A 994 -6.465 9.922 -0.097 1.00 0.00 C ATOM 1239 O ASP A 994 -6.100 11.094 -0.168 1.00 0.00 O ATOM 1240 CB ASP A 994 -6.171 8.882 2.130 1.00 0.00 C ATOM 1241 CG ASP A 994 -6.588 8.946 3.601 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.192 7.955 4.063 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -6.294 9.986 4.229 1.00 0.00 O ATOM 0 H ASP A 994 -8.037 7.492 1.256 1.00 0.00 H new ATOM 0 HA ASP A 994 -7.781 10.212 1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -5.946 7.846 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.248 9.449 2.005 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.262 9.014 -1.041 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.568 9.356 -2.271 1.00 0.00 C ATOM 1250 C LEU A 995 -6.327 10.476 -2.985 1.00 0.00 C ATOM 1251 O LEU A 995 -5.769 11.539 -3.249 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.358 8.109 -3.132 1.00 0.00 C ATOM 1253 CG LEU A 995 -5.607 8.279 -4.632 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -4.625 9.283 -5.240 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -5.567 6.930 -5.351 1.00 0.00 C ATOM 0 H LEU A 995 -6.566 8.042 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.570 9.736 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.334 7.763 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -6.015 7.322 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 995 -6.609 8.686 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -4.823 9.386 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -4.746 10.251 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.605 8.929 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -5.747 7.080 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -4.589 6.471 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -6.337 6.276 -4.941 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.589 10.198 -3.278 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.431 11.169 -3.957 1.00 0.00 C ATOM 1269 C ALA A 996 -8.428 12.480 -3.168 1.00 0.00 C ATOM 1270 O ALA A 996 -8.136 13.540 -3.719 1.00 0.00 O ATOM 1271 CB ALA A 996 -9.839 10.594 -4.127 1.00 0.00 C ATOM 0 H ALA A 996 -8.049 9.315 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.044 11.383 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.470 11.322 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -9.790 9.680 -4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.261 10.370 -3.147 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.758 12.365 -1.890 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.797 13.528 -1.019 1.00 0.00 C ATOM 1279 C GLU A 997 -7.479 14.300 -1.105 1.00 0.00 C ATOM 1280 O GLU A 997 -7.460 15.521 -0.963 1.00 0.00 O ATOM 1281 CB GLU A 997 -9.102 13.123 0.424 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.456 14.345 1.274 1.00 0.00 C ATOM 1283 CD GLU A 997 -10.958 14.633 1.222 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.678 14.039 2.052 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.351 15.441 0.352 1.00 0.00 O ATOM 0 H GLU A 997 -9.001 11.484 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.601 14.182 -1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.929 12.413 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -8.238 12.615 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -9.150 14.175 2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -8.903 15.214 0.917 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.408 13.555 -1.337 1.00 0.00 N ATOM 1293 CA LEU A 998 -5.088 14.154 -1.443 1.00 0.00 C ATOM 1294 C LEU A 998 -4.995 14.942 -2.751 1.00 0.00 C ATOM 1295 O LEU A 998 -4.600 16.107 -2.751 1.00 0.00 O ATOM 1296 CB LEU A 998 -4.002 13.088 -1.289 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.612 13.598 -0.904 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.787 12.493 -0.240 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -1.895 14.201 -2.113 1.00 0.00 C ATOM 0 H LEU A 998 -6.427 12.542 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.924 14.862 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.327 12.373 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.920 12.543 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.732 14.395 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.803 12.882 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -2.296 12.151 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -1.674 11.658 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.909 14.556 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -1.786 13.442 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.478 15.036 -2.503 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.363 14.275 -3.835 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.326 14.898 -5.147 1.00 0.00 C ATOM 1313 C ILE A 999 -6.013 16.264 -5.078 1.00 0.00 C ATOM 1314 O ILE A 999 -5.467 17.261 -5.547 1.00 0.00 O ATOM 1315 CB ILE A 999 -5.921 13.963 -6.201 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.127 12.658 -6.288 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.024 14.662 -7.558 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.749 12.895 -6.910 1.00 0.00 C ATOM 0 H ILE A 999 -5.689 13.308 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.296 15.074 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.934 13.704 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -5.012 12.231 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.679 11.931 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.450 13.975 -8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.665 15.539 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.031 14.970 -7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.205 11.952 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -3.868 13.299 -7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.191 13.603 -6.298 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.200 16.264 -4.489 1.00 0.00 N ATOM 1331 CA ASN A1000 -7.967 17.490 -4.352 1.00 0.00 C ATOM 1332 C ASN A1000 -7.190 18.478 -3.479 1.00 0.00 C ATOM 1333 O ASN A1000 -6.956 19.617 -3.882 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.315 17.225 -3.680 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.278 18.393 -3.901 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.057 19.266 -4.724 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.355 18.361 -3.122 1.00 0.00 N ATOM 0 H ASN A1000 -7.649 15.434 -4.101 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.135 17.895 -5.350 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.751 16.309 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.168 17.068 -2.611 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -12.058 19.097 -3.193 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -11.478 17.601 -2.454 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.812 18.007 -2.300 1.00 0.00 N ATOM 1345 CA LYS A1001 -6.066 18.834 -1.367 1.00 0.00 C ATOM 1346 C LYS A1001 -5.017 19.642 -2.134 1.00 0.00 C ATOM 1347 O LYS A1001 -4.827 20.828 -1.870 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.482 17.979 -0.241 1.00 0.00 C ATOM 1349 CG LYS A1001 -6.519 17.735 0.857 1.00 0.00 C ATOM 1350 CD LYS A1001 -6.756 19.003 1.679 1.00 0.00 C ATOM 1351 CE LYS A1001 -5.757 19.102 2.834 1.00 0.00 C ATOM 1352 NZ LYS A1001 -5.377 20.513 3.071 1.00 0.00 N ATOM 0 H LYS A1001 -7.009 17.062 -1.969 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.728 19.551 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -5.142 17.025 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.609 18.476 0.182 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -7.457 17.407 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.179 16.932 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -6.664 19.879 1.037 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -7.773 19.001 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -6.195 18.680 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -4.869 18.513 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -4.346 20.616 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -5.851 21.122 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -5.666 20.794 4.030 1.00 0.00 H new ATOM 1366 N MET A1002 -4.364 18.966 -3.069 1.00 0.00 N ATOM 1367 CA MET A1002 -3.339 19.606 -3.876 1.00 0.00 C ATOM 1368 C MET A1002 -3.943 20.694 -4.767 1.00 0.00 C ATOM 1369 O MET A1002 -3.423 21.807 -4.832 1.00 0.00 O ATOM 1370 CB MET A1002 -2.647 18.557 -4.748 1.00 0.00 C ATOM 1371 CG MET A1002 -1.831 19.220 -5.860 1.00 0.00 C ATOM 1372 SD MET A1002 -2.864 19.504 -7.288 1.00 0.00 S ATOM 1373 CE MET A1002 -1.976 18.547 -8.507 1.00 0.00 C ATOM 0 H MET A1002 -4.525 17.982 -3.285 1.00 0.00 H new ATOM 0 HA MET A1002 -2.614 20.071 -3.208 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.994 17.940 -4.131 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.393 17.893 -5.186 1.00 0.00 H new ATOM 0 HG2 MET A1002 -1.418 20.165 -5.506 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.987 18.585 -6.131 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.996 19.068 -9.464 1.00 0.00 H new ATOM 0 HE2 MET A1002 -0.942 18.418 -8.186 1.00 0.00 H new ATOM 0 HE3 MET A1002 -2.447 17.570 -8.616 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.031 20.334 -5.431 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.710 21.265 -6.315 1.00 0.00 C ATOM 1385 C LYS A1003 -6.082 22.526 -5.533 1.00 0.00 C ATOM 1386 O LYS A1003 -6.206 23.605 -6.110 1.00 0.00 O ATOM 1387 CB LYS A1003 -6.903 20.587 -6.993 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.598 20.278 -8.460 1.00 0.00 C ATOM 1389 CD LYS A1003 -7.886 20.018 -9.244 1.00 0.00 C ATOM 1390 CE LYS A1003 -8.655 21.319 -9.482 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.642 21.146 -10.572 1.00 0.00 N ATOM 0 H LYS A1003 -5.459 19.410 -5.374 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.047 21.575 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.149 19.664 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -7.778 21.234 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.058 21.113 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -5.947 19.406 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -7.646 19.553 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -8.514 19.315 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -9.164 21.620 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -7.959 22.118 -9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -10.155 22.038 -10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -9.149 20.880 -11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -10.317 20.398 -10.314 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.251 22.347 -4.231 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.606 23.457 -3.363 1.00 0.00 C ATOM 1407 C LEU A1004 -5.337 24.212 -2.962 1.00 0.00 C ATOM 1408 O LEU A1004 -5.238 25.421 -3.167 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.430 22.964 -2.172 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.563 21.988 -2.499 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -8.934 21.149 -1.274 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.773 22.726 -3.076 1.00 0.00 C ATOM 0 H LEU A1004 -6.149 21.450 -3.756 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.245 24.164 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.756 22.483 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.858 23.831 -1.668 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.210 21.299 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -9.741 20.464 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -8.065 20.578 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.261 21.806 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.563 22.010 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.137 23.452 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.482 23.242 -3.991 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.398 23.467 -2.396 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.139 24.051 -1.964 1.00 0.00 C ATOM 1426 C ALA A1005 -2.614 24.986 -3.056 1.00 0.00 C ATOM 1427 O ALA A1005 -2.178 26.099 -2.767 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.148 22.935 -1.627 1.00 0.00 C ATOM 0 H ALA A1005 -4.484 22.465 -2.227 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.281 24.645 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.204 23.373 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.555 22.317 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -1.979 22.320 -2.511 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.675 24.500 -4.287 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.212 25.279 -5.422 1.00 0.00 C ATOM 1436 C GLN A1006 -2.659 26.736 -5.285 1.00 0.00 C ATOM 1437 O GLN A1006 -1.878 27.654 -5.529 1.00 0.00 O ATOM 1438 CB GLN A1006 -2.705 24.676 -6.739 1.00 0.00 C ATOM 1439 CG GLN A1006 -1.541 24.432 -7.701 1.00 0.00 C ATOM 1440 CD GLN A1006 -1.983 24.613 -9.155 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -3.021 24.132 -9.579 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -1.140 25.331 -9.891 1.00 0.00 N ATOM 0 H GLN A1006 -3.038 23.576 -4.523 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.122 25.254 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -3.221 23.737 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -3.429 25.347 -7.202 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -0.728 25.122 -7.476 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -1.152 23.424 -7.558 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -0.288 25.704 -9.472 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -1.345 25.508 -10.874 1.00 0.00 H new ATOM 1451 N GLN A1007 -3.914 26.902 -4.895 1.00 0.00 N ATOM 1452 CA GLN A1007 -4.474 28.231 -4.722 1.00 0.00 C ATOM 1453 C GLN A1007 -3.933 28.873 -3.443 1.00 0.00 C ATOM 1454 O GLN A1007 -3.080 29.758 -3.502 1.00 0.00 O ATOM 1455 CB GLN A1007 -6.003 28.184 -4.707 1.00 0.00 C ATOM 1456 CG GLN A1007 -6.596 29.591 -4.808 1.00 0.00 C ATOM 1457 CD GLN A1007 -7.775 29.759 -3.847 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -7.624 29.779 -2.637 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -8.953 29.880 -4.452 1.00 0.00 N ATOM 0 H GLN A1007 -4.559 26.138 -4.694 1.00 0.00 H new ATOM 0 HA GLN A1007 -4.170 28.845 -5.570 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.360 27.575 -5.537 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -6.347 27.706 -3.790 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -5.828 30.330 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -6.926 29.778 -5.830 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -9.008 29.855 -5.470 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -9.801 29.998 -3.898 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.451 28.403 -2.318 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.030 28.920 -1.027 1.00 0.00 C ATOM 1470 C TYR A1008 -2.586 29.423 -1.082 1.00 0.00 C ATOM 1471 O TYR A1008 -2.254 30.435 -0.466 1.00 0.00 O ATOM 1472 CB TYR A1008 -4.111 27.742 -0.054 1.00 0.00 C ATOM 1473 CG TYR A1008 -5.528 27.433 0.433 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -6.345 26.601 -0.306 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -5.989 27.986 1.610 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -7.679 26.310 0.153 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -7.323 27.695 2.068 1.00 0.00 C ATOM 1478 CZ TYR A1008 -8.102 26.871 1.317 1.00 0.00 C ATOM 1479 OH TYR A1008 -9.361 26.596 1.750 1.00 0.00 O ATOM 0 H TYR A1008 -5.159 27.670 -2.274 1.00 0.00 H new ATOM 0 HA TYR A1008 -4.660 29.756 -0.724 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -3.703 26.855 -0.539 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -3.479 27.953 0.809 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -5.984 26.169 -1.228 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -5.350 28.637 2.188 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -8.329 25.661 -0.415 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -7.696 28.122 2.987 1.00 0.00 H new ATOM 0 HH TYR A1008 -9.345 25.797 2.318 1.00 0.00 H new ATOM 1489 N VAL A1009 -1.767 28.694 -1.825 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.367 29.053 -1.969 1.00 0.00 C ATOM 1491 C VAL A1009 -0.237 30.577 -2.010 1.00 0.00 C ATOM 1492 O VAL A1009 0.543 31.158 -1.257 1.00 0.00 O ATOM 1493 CB VAL A1009 0.225 28.369 -3.203 1.00 0.00 C ATOM 1494 CG1 VAL A1009 1.609 28.934 -3.531 1.00 0.00 C ATOM 1495 CG2 VAL A1009 0.282 26.852 -3.015 1.00 0.00 C ATOM 0 H VAL A1009 -2.047 27.856 -2.334 1.00 0.00 H new ATOM 0 HA VAL A1009 0.207 28.701 -1.112 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.431 28.577 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A1009 2.008 28.431 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A1009 1.528 30.003 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A1009 2.278 28.771 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A1009 0.707 26.391 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A1009 0.905 26.615 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.725 26.467 -2.852 1.00 0.00 H new ATOM 1505 N MET A1010 -1.014 31.181 -2.896 1.00 0.00 N ATOM 1506 CA MET A1010 -0.996 32.626 -3.045 1.00 0.00 C ATOM 1507 C MET A1010 -0.635 33.309 -1.725 1.00 0.00 C ATOM 1508 O MET A1010 0.461 33.850 -1.581 1.00 0.00 O ATOM 1509 CB MET A1010 -2.372 33.109 -3.510 1.00 0.00 C ATOM 1510 CG MET A1010 -3.485 32.233 -2.930 1.00 0.00 C ATOM 1511 SD MET A1010 -4.711 33.254 -2.131 1.00 0.00 S ATOM 1512 CE MET A1010 -5.702 31.993 -1.348 1.00 0.00 C ATOM 0 H MET A1010 -1.660 30.696 -3.518 1.00 0.00 H new ATOM 0 HA MET A1010 -0.240 32.886 -3.786 1.00 0.00 H new ATOM 0 HB2 MET A1010 -2.521 34.144 -3.202 1.00 0.00 H new ATOM 0 HB3 MET A1010 -2.419 33.090 -4.599 1.00 0.00 H new ATOM 0 HG2 MET A1010 -3.949 31.647 -3.724 1.00 0.00 H new ATOM 0 HG3 MET A1010 -3.067 31.525 -2.214 1.00 0.00 H new ATOM 0 HE1 MET A1010 -6.740 32.322 -1.304 1.00 0.00 H new ATOM 0 HE2 MET A1010 -5.638 31.070 -1.924 1.00 0.00 H new ATOM 0 HE3 MET A1010 -5.334 31.816 -0.337 1.00 0.00 H new ATOM 1522 N THR A1011 -1.576 33.262 -0.794 1.00 0.00 N ATOM 1523 CA THR A1011 -1.370 33.869 0.510 1.00 0.00 C ATOM 1524 C THR A1011 -0.355 33.061 1.321 1.00 0.00 C ATOM 1525 O THR A1011 0.585 32.499 0.761 1.00 0.00 O ATOM 1526 CB THR A1011 -2.733 33.994 1.194 1.00 0.00 C ATOM 1527 OG1 THR A1011 -2.464 34.758 2.367 1.00 0.00 O ATOM 1528 CG2 THR A1011 -3.244 32.656 1.729 1.00 0.00 C ATOM 0 H THR A1011 -2.484 32.813 -0.917 1.00 0.00 H new ATOM 0 HA THR A1011 -0.943 34.868 0.418 1.00 0.00 H new ATOM 0 HB THR A1011 -3.457 34.403 0.489 1.00 0.00 H new ATOM 0 HG1 THR A1011 -3.006 34.418 3.110 1.00 0.00 H new ATOM 0 HG21 THR A1011 -4.214 32.801 2.205 1.00 0.00 H new ATOM 0 HG22 THR A1011 -3.346 31.950 0.905 1.00 0.00 H new ATOM 0 HG23 THR A1011 -2.537 32.262 2.459 1.00 0.00 H new ATOM 1536 N SER A1012 -0.580 33.028 2.626 1.00 0.00 N ATOM 1537 CA SER A1012 0.303 32.298 3.519 1.00 0.00 C ATOM 1538 C SER A1012 -0.433 31.097 4.116 1.00 0.00 C ATOM 1539 O SER A1012 0.193 30.117 4.518 1.00 0.00 O ATOM 1540 CB SER A1012 0.831 33.204 4.633 1.00 0.00 C ATOM 1541 OG SER A1012 -0.177 33.515 5.591 1.00 0.00 O ATOM 0 H SER A1012 -1.361 33.495 3.086 1.00 0.00 H new ATOM 0 HA SER A1012 1.156 31.943 2.941 1.00 0.00 H new ATOM 0 HB2 SER A1012 1.667 32.715 5.132 1.00 0.00 H new ATOM 0 HB3 SER A1012 1.215 34.127 4.198 1.00 0.00 H new ATOM 0 HG SER A1012 0.200 34.094 6.286 1.00 0.00 H new ATOM 1547 N LEU A1013 -1.753 31.212 4.155 1.00 0.00 N ATOM 1548 CA LEU A1013 -2.581 30.147 4.696 1.00 0.00 C ATOM 1549 C LEU A1013 -2.005 28.794 4.274 1.00 0.00 C ATOM 1550 O LEU A1013 -2.142 27.806 4.993 1.00 0.00 O ATOM 1551 CB LEU A1013 -4.043 30.347 4.291 1.00 0.00 C ATOM 1552 CG LEU A1013 -5.088 29.957 5.338 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -6.504 30.231 4.827 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -4.909 28.502 5.776 1.00 0.00 C ATOM 0 H LEU A1013 -2.269 32.026 3.821 1.00 0.00 H new ATOM 0 HA LEU A1013 -2.570 30.172 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.188 31.397 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.231 29.769 3.386 1.00 0.00 H new ATOM 0 HG LEU A1013 -4.937 30.580 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -7.228 29.945 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -6.611 31.293 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -6.683 29.651 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -5.664 28.251 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -5.018 27.846 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -3.917 28.371 6.208 1.00 0.00 H new ATOM 1566 N GLN A1014 -1.373 28.793 3.110 1.00 0.00 N ATOM 1567 CA GLN A1014 -0.776 27.578 2.583 1.00 0.00 C ATOM 1568 C GLN A1014 -0.145 26.763 3.714 1.00 0.00 C ATOM 1569 O GLN A1014 -0.477 25.594 3.901 1.00 0.00 O ATOM 1570 CB GLN A1014 0.254 27.898 1.498 1.00 0.00 C ATOM 1571 CG GLN A1014 0.397 26.733 0.517 1.00 0.00 C ATOM 1572 CD GLN A1014 1.625 26.918 -0.378 1.00 0.00 C ATOM 1573 OE1 GLN A1014 2.160 28.004 -0.524 1.00 0.00 O ATOM 1574 NE2 GLN A1014 2.039 25.799 -0.965 1.00 0.00 N ATOM 0 H GLN A1014 -1.261 29.615 2.516 1.00 0.00 H new ATOM 0 HA GLN A1014 -1.563 26.979 2.125 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -0.047 28.797 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.219 28.111 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A1014 0.482 25.797 1.069 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -0.499 26.660 -0.099 1.00 0.00 H new ATOM 0 HE21 GLN A1014 1.544 24.923 -0.799 1.00 0.00 H new ATOM 0 HE22 GLN A1014 2.852 25.817 -1.581 1.00 0.00 H new ATOM 1583 N GLN A1015 0.753 27.414 4.439 1.00 0.00 N ATOM 1584 CA GLN A1015 1.433 26.764 5.547 1.00 0.00 C ATOM 1585 C GLN A1015 0.463 25.856 6.306 1.00 0.00 C ATOM 1586 O GLN A1015 0.817 24.739 6.679 1.00 0.00 O ATOM 1587 CB GLN A1015 2.065 27.796 6.483 1.00 0.00 C ATOM 1588 CG GLN A1015 1.124 28.982 6.707 1.00 0.00 C ATOM 1589 CD GLN A1015 0.930 29.253 8.200 1.00 0.00 C ATOM 1590 OE1 GLN A1015 0.697 28.357 8.995 1.00 0.00 O ATOM 1591 NE2 GLN A1015 1.038 30.536 8.536 1.00 0.00 N ATOM 0 H GLN A1015 1.025 28.384 4.281 1.00 0.00 H new ATOM 0 HA GLN A1015 2.236 26.148 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.301 27.329 7.439 1.00 0.00 H new ATOM 0 HB3 GLN A1015 3.006 28.148 6.060 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.530 29.870 6.222 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.159 28.778 6.242 1.00 0.00 H new ATOM 0 HE21 GLN A1015 1.234 31.236 7.820 1.00 0.00 H new ATOM 0 HE22 GLN A1015 0.924 30.820 9.509 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.740 26.370 6.512 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.763 25.620 7.220 1.00 0.00 C ATOM 1602 C GLU A1016 -2.094 24.331 6.466 1.00 0.00 C ATOM 1603 O GLU A1016 -2.035 23.242 7.035 1.00 0.00 O ATOM 1604 CB GLU A1016 -3.019 26.469 7.431 1.00 0.00 C ATOM 1605 CG GLU A1016 -3.817 25.976 8.640 1.00 0.00 C ATOM 1606 CD GLU A1016 -5.282 26.406 8.542 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -5.982 25.843 7.672 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -5.669 27.288 9.338 1.00 0.00 O ATOM 0 H GLU A1016 -1.030 27.297 6.201 1.00 0.00 H new ATOM 0 HA GLU A1016 -1.375 25.354 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -2.737 27.512 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -3.643 26.430 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -3.757 24.889 8.702 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.378 26.372 9.556 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.433 24.496 5.196 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.773 23.359 4.357 1.00 0.00 C ATOM 1617 C TYR A1017 -1.610 22.369 4.279 1.00 0.00 C ATOM 1618 O TYR A1017 -1.823 21.158 4.229 1.00 0.00 O ATOM 1619 CB TYR A1017 -3.037 23.928 2.962 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.521 24.039 2.606 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.322 24.954 3.259 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.059 23.223 1.631 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.718 25.057 2.924 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.456 23.327 1.296 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.216 24.239 1.959 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.535 24.337 1.642 1.00 0.00 O ATOM 0 H TYR A1017 -2.480 25.401 4.727 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.634 22.828 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.582 24.916 2.892 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.543 23.296 2.224 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.901 25.593 4.021 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.433 22.507 1.120 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -7.356 25.768 3.428 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -6.890 22.695 0.535 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.679 25.130 1.085 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.405 22.920 4.271 1.00 0.00 N ATOM 1637 CA LYS A1018 0.793 22.100 4.200 1.00 0.00 C ATOM 1638 C LYS A1018 0.722 21.007 5.269 1.00 0.00 C ATOM 1639 O LYS A1018 0.959 19.835 4.981 1.00 0.00 O ATOM 1640 CB LYS A1018 2.046 22.972 4.294 1.00 0.00 C ATOM 1641 CG LYS A1018 2.681 23.170 2.916 1.00 0.00 C ATOM 1642 CD LYS A1018 2.187 24.464 2.266 1.00 0.00 C ATOM 1643 CE LYS A1018 3.344 25.439 2.037 1.00 0.00 C ATOM 1644 NZ LYS A1018 3.891 25.906 3.331 1.00 0.00 N ATOM 0 H LYS A1018 -0.232 23.924 4.313 1.00 0.00 H new ATOM 0 HA LYS A1018 0.854 21.598 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.788 23.941 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.767 22.508 4.967 1.00 0.00 H new ATOM 0 HG2 LYS A1018 3.766 23.198 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A1018 2.440 22.322 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.705 24.237 1.315 1.00 0.00 H new ATOM 0 HD3 LYS A1018 1.434 24.930 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A1018 4.129 24.952 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A1018 2.999 26.292 1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 4.831 26.324 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 3.256 26.622 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 3.971 25.101 3.985 1.00 0.00 H new ATOM 1658 N LYS A1019 0.395 21.431 6.481 1.00 0.00 N ATOM 1659 CA LYS A1019 0.290 20.503 7.595 1.00 0.00 C ATOM 1660 C LYS A1019 -0.803 19.476 7.296 1.00 0.00 C ATOM 1661 O LYS A1019 -0.628 18.285 7.553 1.00 0.00 O ATOM 1662 CB LYS A1019 0.078 21.263 8.906 1.00 0.00 C ATOM 1663 CG LYS A1019 1.417 21.658 9.533 1.00 0.00 C ATOM 1664 CD LYS A1019 1.976 22.923 8.878 1.00 0.00 C ATOM 1665 CE LYS A1019 2.897 22.572 7.708 1.00 0.00 C ATOM 1666 NZ LYS A1019 4.316 22.714 8.104 1.00 0.00 N ATOM 0 H LYS A1019 0.199 22.404 6.716 1.00 0.00 H new ATOM 0 HA LYS A1019 1.221 19.950 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.518 22.156 8.720 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -0.485 20.643 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.287 21.825 10.602 1.00 0.00 H new ATOM 0 HG3 LYS A1019 2.130 20.841 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.155 23.547 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.526 23.507 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.705 21.550 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A1019 2.683 23.224 6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 4.927 22.472 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.499 23.696 8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 4.521 22.074 8.898 1.00 0.00 H new ATOM 1680 N GLN A1020 -1.906 19.973 6.756 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.028 19.112 6.420 1.00 0.00 C ATOM 1682 C GLN A1020 -2.558 17.943 5.552 1.00 0.00 C ATOM 1683 O GLN A1020 -2.821 16.784 5.871 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.135 19.903 5.720 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.574 21.099 6.568 1.00 0.00 C ATOM 1686 CD GLN A1020 -4.954 20.658 7.983 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -5.569 19.626 8.195 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -4.554 21.495 8.936 1.00 0.00 N ATOM 0 H GLN A1020 -2.047 20.960 6.543 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.442 18.710 7.345 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.780 20.251 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -4.989 19.252 5.533 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.768 21.831 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.424 21.591 6.096 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -4.043 22.342 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -4.759 21.290 9.914 1.00 0.00 H new ATOM 1697 N MET A1021 -1.870 18.286 4.474 1.00 0.00 N ATOM 1698 CA MET A1021 -1.361 17.279 3.558 1.00 0.00 C ATOM 1699 C MET A1021 -0.667 16.148 4.319 1.00 0.00 C ATOM 1700 O MET A1021 -0.984 14.976 4.121 1.00 0.00 O ATOM 1701 CB MET A1021 -0.369 17.926 2.588 1.00 0.00 C ATOM 1702 CG MET A1021 -0.726 17.594 1.138 1.00 0.00 C ATOM 1703 SD MET A1021 0.599 16.668 0.380 1.00 0.00 S ATOM 1704 CE MET A1021 0.742 15.322 1.543 1.00 0.00 C ATOM 0 H MET A1021 -1.653 19.248 4.214 1.00 0.00 H new ATOM 0 HA MET A1021 -2.201 16.858 3.005 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.370 19.007 2.728 1.00 0.00 H new ATOM 0 HB3 MET A1021 0.640 17.577 2.807 1.00 0.00 H new ATOM 0 HG2 MET A1021 -1.650 17.016 1.105 1.00 0.00 H new ATOM 0 HG3 MET A1021 -0.905 18.513 0.579 1.00 0.00 H new ATOM 0 HE1 MET A1021 1.250 14.483 1.068 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.315 15.650 2.410 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.252 15.010 1.863 1.00 0.00 H new ATOM 1714 N LEU A1022 0.267 16.538 5.174 1.00 0.00 N ATOM 1715 CA LEU A1022 1.008 15.570 5.965 1.00 0.00 C ATOM 1716 C LEU A1022 0.024 14.657 6.699 1.00 0.00 C ATOM 1717 O LEU A1022 0.165 13.436 6.669 1.00 0.00 O ATOM 1718 CB LEU A1022 1.996 16.281 6.892 1.00 0.00 C ATOM 1719 CG LEU A1022 3.154 15.430 7.418 1.00 0.00 C ATOM 1720 CD1 LEU A1022 2.691 14.521 8.559 1.00 0.00 C ATOM 1721 CD2 LEU A1022 3.812 14.639 6.286 1.00 0.00 C ATOM 0 H LEU A1022 0.528 17.511 5.336 1.00 0.00 H new ATOM 0 HA LEU A1022 1.613 14.933 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A1022 2.412 17.136 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.444 16.675 7.745 1.00 0.00 H new ATOM 0 HG LEU A1022 3.912 16.099 7.826 1.00 0.00 H new ATOM 0 HD11 LEU A1022 3.533 13.927 8.915 1.00 0.00 H new ATOM 0 HD12 LEU A1022 2.306 15.131 9.376 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.905 13.857 8.199 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.632 14.043 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.075 13.980 5.826 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.199 15.330 5.537 1.00 0.00 H new ATOM 1733 N THR A1023 -0.950 15.285 7.340 1.00 0.00 N ATOM 1734 CA THR A1023 -1.957 14.544 8.081 1.00 0.00 C ATOM 1735 C THR A1023 -2.346 13.271 7.325 1.00 0.00 C ATOM 1736 O THR A1023 -2.227 12.169 7.857 1.00 0.00 O ATOM 1737 CB THR A1023 -3.138 15.481 8.340 1.00 0.00 C ATOM 1738 OG1 THR A1023 -2.529 16.738 8.620 1.00 0.00 O ATOM 1739 CG2 THR A1023 -3.888 15.136 9.629 1.00 0.00 C ATOM 0 H THR A1023 -1.064 16.298 7.362 1.00 0.00 H new ATOM 0 HA THR A1023 -1.572 14.208 9.044 1.00 0.00 H new ATOM 0 HB THR A1023 -3.827 15.438 7.496 1.00 0.00 H new ATOM 0 HG1 THR A1023 -3.165 17.310 9.099 1.00 0.00 H new ATOM 0 HG21 THR A1023 -4.716 15.831 9.765 1.00 0.00 H new ATOM 0 HG22 THR A1023 -4.275 14.119 9.564 1.00 0.00 H new ATOM 0 HG23 THR A1023 -3.208 15.212 10.477 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.803 13.467 6.097 1.00 0.00 N ATOM 1748 CA ALA A1024 -3.210 12.349 5.263 1.00 0.00 C ATOM 1749 C ALA A1024 -2.009 11.432 5.026 1.00 0.00 C ATOM 1750 O ALA A1024 -2.118 10.213 5.156 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.807 12.877 3.957 1.00 0.00 C ATOM 0 H ALA A1024 -2.900 14.383 5.660 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.981 11.760 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -4.112 12.038 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.674 13.499 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -3.060 13.470 3.429 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.889 12.052 4.682 1.00 0.00 N ATOM 1758 CA ALA A1025 0.331 11.306 4.425 1.00 0.00 C ATOM 1759 C ALA A1025 0.568 10.316 5.567 1.00 0.00 C ATOM 1760 O ALA A1025 1.086 9.222 5.347 1.00 0.00 O ATOM 1761 CB ALA A1025 1.497 12.281 4.248 1.00 0.00 C ATOM 0 H ALA A1025 -0.801 13.063 4.575 1.00 0.00 H new ATOM 0 HA ALA A1025 0.243 10.731 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.413 11.722 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.293 12.944 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.617 12.873 5.155 1.00 0.00 H new ATOM 1767 N HIS A1026 0.176 10.734 6.762 1.00 0.00 N ATOM 1768 CA HIS A1026 0.339 9.896 7.938 1.00 0.00 C ATOM 1769 C HIS A1026 -0.562 8.666 7.821 1.00 0.00 C ATOM 1770 O HIS A1026 -0.092 7.535 7.939 1.00 0.00 O ATOM 1771 CB HIS A1026 0.084 10.699 9.215 1.00 0.00 C ATOM 1772 CG HIS A1026 1.093 10.448 10.310 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.408 10.872 10.230 1.00 0.00 N ATOM 1774 CD2 HIS A1026 0.966 9.813 11.511 1.00 0.00 C ATOM 1775 CE1 HIS A1026 3.035 10.503 11.337 1.00 0.00 C ATOM 1776 NE2 HIS A1026 2.140 9.847 12.130 1.00 0.00 N ATOM 0 H HIS A1026 -0.254 11.642 6.941 1.00 0.00 H new ATOM 0 HA HIS A1026 1.369 9.543 7.999 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.085 11.761 8.970 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.911 10.459 9.590 1.00 0.00 H new ATOM 0 HD2 HIS A1026 0.063 9.360 11.893 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.073 10.689 11.571 1.00 0.00 H new ATOM 0 HE2 HIS A1026 2.340 9.448 13.047 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.840 8.927 7.590 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.811 7.855 7.455 1.00 0.00 C ATOM 1786 C ALA A1027 -2.490 7.036 6.204 1.00 0.00 C ATOM 1787 O ALA A1027 -2.657 5.817 6.195 1.00 0.00 O ATOM 1788 CB ALA A1027 -4.222 8.445 7.419 1.00 0.00 C ATOM 0 H ALA A1027 -2.226 9.866 7.493 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.761 7.182 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.950 7.640 7.318 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -4.411 8.992 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -4.311 9.124 6.571 1.00 0.00 H new ATOM 1794 N LEU A1028 -2.033 7.738 5.177 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.687 7.091 3.923 1.00 0.00 C ATOM 1796 C LEU A1028 -0.615 6.030 4.180 1.00 0.00 C ATOM 1797 O LEU A1028 -0.867 4.837 4.024 1.00 0.00 O ATOM 1798 CB LEU A1028 -1.284 8.132 2.876 1.00 0.00 C ATOM 1799 CG LEU A1028 -2.431 8.782 2.100 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -1.908 9.532 0.874 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -3.497 7.749 1.729 1.00 0.00 C ATOM 0 H LEU A1028 -1.894 8.748 5.188 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.553 6.575 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -0.717 8.919 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -0.611 7.658 2.161 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.908 9.518 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -2.744 9.985 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -1.216 10.312 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -1.391 8.835 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -4.301 8.237 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -3.051 6.973 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.900 7.300 2.637 1.00 0.00 H new ATOM 1813 N ALA A1029 0.560 6.505 4.569 1.00 0.00 N ATOM 1814 CA ALA A1029 1.671 5.612 4.850 1.00 0.00 C ATOM 1815 C ALA A1029 1.149 4.359 5.554 1.00 0.00 C ATOM 1816 O ALA A1029 1.606 3.251 5.278 1.00 0.00 O ATOM 1817 CB ALA A1029 2.723 6.351 5.680 1.00 0.00 C ATOM 0 H ALA A1029 0.766 7.496 4.696 1.00 0.00 H new ATOM 0 HA ALA A1029 2.150 5.294 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.557 5.681 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.084 7.216 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.279 6.684 6.618 1.00 0.00 H new ATOM 1823 N VAL A1030 0.197 4.575 6.450 1.00 0.00 N ATOM 1824 CA VAL A1030 -0.393 3.477 7.195 1.00 0.00 C ATOM 1825 C VAL A1030 -1.334 2.691 6.279 1.00 0.00 C ATOM 1826 O VAL A1030 -1.221 1.471 6.167 1.00 0.00 O ATOM 1827 CB VAL A1030 -1.089 4.010 8.450 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.965 2.931 9.091 1.00 0.00 C ATOM 1829 CG2 VAL A1030 -0.069 4.556 9.452 1.00 0.00 C ATOM 0 H VAL A1030 -0.180 5.495 6.677 1.00 0.00 H new ATOM 0 HA VAL A1030 0.380 2.788 7.535 1.00 0.00 H new ATOM 0 HB VAL A1030 -1.738 4.833 8.150 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -2.448 3.335 9.981 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -2.726 2.610 8.379 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -1.346 2.078 9.370 1.00 0.00 H new ATOM 0 HG21 VAL A1030 -0.589 4.928 10.334 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.616 3.760 9.744 1.00 0.00 H new ATOM 0 HG23 VAL A1030 0.493 5.369 8.992 1.00 0.00 H new ATOM 1839 N ASP A1031 -2.240 3.422 5.647 1.00 0.00 N ATOM 1840 CA ASP A1031 -3.199 2.809 4.745 1.00 0.00 C ATOM 1841 C ASP A1031 -2.488 1.759 3.888 1.00 0.00 C ATOM 1842 O ASP A1031 -2.849 0.584 3.912 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.814 3.848 3.805 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.724 4.874 4.483 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -5.177 4.575 5.609 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -4.946 5.935 3.860 1.00 0.00 O ATOM 0 H ASP A1031 -2.330 4.434 5.742 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.987 2.357 5.348 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -3.009 4.378 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -4.387 3.328 3.037 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.489 2.222 3.150 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.724 1.338 2.288 1.00 0.00 C ATOM 1853 C ALA A1032 -0.127 0.206 3.126 1.00 0.00 C ATOM 1854 O ALA A1032 0.009 -0.920 2.649 1.00 0.00 O ATOM 1855 CB ALA A1032 0.347 2.145 1.551 1.00 0.00 C ATOM 0 H ALA A1032 -1.192 3.198 3.132 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.368 0.885 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A1032 0.921 1.482 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.130 2.917 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A1032 1.014 2.612 2.276 1.00 0.00 H new ATOM 1861 N LYS A1033 0.215 0.543 4.361 1.00 0.00 N ATOM 1862 CA LYS A1033 0.794 -0.431 5.270 1.00 0.00 C ATOM 1863 C LYS A1033 -0.251 -1.498 5.601 1.00 0.00 C ATOM 1864 O LYS A1033 0.023 -2.693 5.503 1.00 0.00 O ATOM 1865 CB LYS A1033 1.375 0.265 6.502 1.00 0.00 C ATOM 1866 CG LYS A1033 2.528 -0.545 7.097 1.00 0.00 C ATOM 1867 CD LYS A1033 3.880 0.056 6.705 1.00 0.00 C ATOM 1868 CE LYS A1033 4.981 -1.006 6.732 1.00 0.00 C ATOM 1869 NZ LYS A1033 6.066 -0.651 5.791 1.00 0.00 N ATOM 0 H LYS A1033 0.102 1.478 4.753 1.00 0.00 H new ATOM 0 HA LYS A1033 1.632 -0.942 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.727 1.260 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A1033 0.594 0.397 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.438 -0.569 8.183 1.00 0.00 H new ATOM 0 HG3 LYS A1033 2.470 -1.576 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.813 0.490 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A1033 4.134 0.866 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.382 -1.097 7.741 1.00 0.00 H new ATOM 0 HE3 LYS A1033 4.564 -1.977 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 6.805 -1.382 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 5.682 -0.587 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 6.475 0.266 6.062 1.00 0.00 H new ATOM 1883 N ASN A1034 -1.428 -1.027 5.987 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.516 -1.926 6.334 1.00 0.00 C ATOM 1885 C ASN A1034 -2.816 -2.840 5.144 1.00 0.00 C ATOM 1886 O ASN A1034 -3.426 -3.895 5.305 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.791 -1.146 6.664 1.00 0.00 C ATOM 1888 CG ASN A1034 -4.532 -1.782 7.842 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -4.139 -2.805 8.377 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -5.624 -1.119 8.215 1.00 0.00 N ATOM 0 H ASN A1034 -1.652 -0.035 6.067 1.00 0.00 H new ATOM 0 HA ASN A1034 -2.211 -2.504 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -3.538 -0.113 6.903 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -4.443 -1.121 5.791 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -6.188 -1.462 8.993 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -5.897 -0.268 7.723 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.373 -2.400 3.975 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.586 -3.165 2.758 1.00 0.00 C ATOM 1899 C LEU A1035 -1.737 -4.437 2.805 1.00 0.00 C ATOM 1900 O LEU A1035 -2.265 -5.544 2.719 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.325 -2.296 1.526 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.200 -2.585 0.304 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -3.146 -1.428 -0.695 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.816 -3.918 -0.341 1.00 0.00 C ATOM 0 H LEU A1035 -1.868 -1.524 3.845 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.627 -3.479 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -2.461 -1.252 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.281 -2.415 1.237 1.00 0.00 H new ATOM 0 HG LEU A1035 -4.234 -2.674 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -3.776 -1.659 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -3.505 -0.517 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -2.118 -1.282 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -3.452 -4.100 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.774 -3.882 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -2.948 -4.723 0.382 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.434 -4.235 2.941 1.00 0.00 N ATOM 1917 CA LEU A1036 0.494 -5.352 3.000 1.00 0.00 C ATOM 1918 C LEU A1036 0.342 -6.065 4.346 1.00 0.00 C ATOM 1919 O LEU A1036 0.433 -7.289 4.417 1.00 0.00 O ATOM 1920 CB LEU A1036 1.920 -4.879 2.712 1.00 0.00 C ATOM 1921 CG LEU A1036 2.601 -5.505 1.494 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.306 -4.700 0.227 1.00 0.00 C ATOM 1923 CD2 LEU A1036 4.103 -5.672 1.731 1.00 0.00 C ATOM 0 H LEU A1036 0.001 -3.315 3.012 1.00 0.00 H new ATOM 0 HA LEU A1036 0.262 -6.082 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.903 -3.797 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.533 -5.081 3.590 1.00 0.00 H new ATOM 0 HG LEU A1036 2.186 -6.502 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A1036 2.802 -5.167 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.230 -4.677 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A1036 2.675 -3.682 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.563 -6.119 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.552 -4.697 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A1036 4.266 -6.319 2.593 1.00 0.00 H new ATOM 1935 N ASP A1037 0.113 -5.268 5.379 1.00 0.00 N ATOM 1936 CA ASP A1037 -0.052 -5.807 6.718 1.00 0.00 C ATOM 1937 C ASP A1037 -0.941 -7.051 6.656 1.00 0.00 C ATOM 1938 O ASP A1037 -0.499 -8.151 6.983 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.724 -4.790 7.643 1.00 0.00 C ATOM 1940 CG ASP A1037 -0.471 -5.007 9.136 1.00 0.00 C ATOM 1941 OD1 ASP A1037 -1.067 -5.962 9.680 1.00 0.00 O ATOM 1942 OD2 ASP A1037 0.313 -4.213 9.699 1.00 0.00 O ATOM 0 H ASP A1037 0.038 -4.253 5.316 1.00 0.00 H new ATOM 0 HA ASP A1037 0.936 -6.050 7.108 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -0.379 -3.792 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.799 -4.814 7.465 1.00 0.00 H new ATOM 1947 N VAL A1038 -2.179 -6.833 6.235 1.00 0.00 N ATOM 1948 CA VAL A1038 -3.134 -7.923 6.126 1.00 0.00 C ATOM 1949 C VAL A1038 -2.534 -9.038 5.267 1.00 0.00 C ATOM 1950 O VAL A1038 -2.656 -10.216 5.599 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.465 -7.399 5.583 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -4.279 -6.749 4.210 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -5.510 -8.515 5.524 1.00 0.00 C ATOM 0 H VAL A1038 -2.542 -5.919 5.966 1.00 0.00 H new ATOM 0 HA VAL A1038 -3.343 -8.348 7.108 1.00 0.00 H new ATOM 0 HB VAL A1038 -4.829 -6.634 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -5.240 -6.385 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -3.583 -5.914 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -3.881 -7.484 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -6.447 -8.116 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -5.155 -9.312 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -5.674 -8.913 6.525 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.899 -8.626 4.179 1.00 0.00 N ATOM 1964 CA ILE A1039 -1.280 -9.575 3.270 1.00 0.00 C ATOM 1965 C ILE A1039 -0.303 -10.458 4.049 1.00 0.00 C ATOM 1966 O ILE A1039 -0.281 -11.675 3.869 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.641 -8.845 2.087 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.683 -8.519 1.016 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.534 -9.645 1.520 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.073 -7.673 -0.103 1.00 0.00 C ATOM 0 H ILE A1039 -1.800 -7.648 3.907 1.00 0.00 H new ATOM 0 HA ILE A1039 -2.032 -10.235 2.838 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.242 -7.896 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -2.084 -9.443 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.518 -7.984 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.971 -9.104 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.288 -9.782 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.181 -10.619 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.835 -7.455 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.695 -6.739 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.254 -8.221 -0.568 1.00 0.00 H new ATOM 1982 N ASP A1040 0.481 -9.811 4.899 1.00 0.00 N ATOM 1983 CA ASP A1040 1.458 -10.522 5.706 1.00 0.00 C ATOM 1984 C ASP A1040 0.771 -11.687 6.421 1.00 0.00 C ATOM 1985 O ASP A1040 1.340 -12.772 6.536 1.00 0.00 O ATOM 1986 CB ASP A1040 2.065 -9.606 6.770 1.00 0.00 C ATOM 1987 CG ASP A1040 3.594 -9.613 6.834 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.194 -10.306 5.984 1.00 0.00 O ATOM 1989 OD2 ASP A1040 4.128 -8.926 7.731 1.00 0.00 O ATOM 0 H ASP A1040 0.459 -8.802 5.046 1.00 0.00 H new ATOM 0 HA ASP A1040 2.247 -10.878 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A1040 1.729 -8.586 6.584 1.00 0.00 H new ATOM 0 HB3 ASP A1040 1.674 -9.898 7.745 1.00 0.00 H new ATOM 1994 N GLN A1041 -0.442 -11.423 6.883 1.00 0.00 N ATOM 1995 CA GLN A1041 -1.213 -12.436 7.584 1.00 0.00 C ATOM 1996 C GLN A1041 -1.644 -13.539 6.616 1.00 0.00 C ATOM 1997 O GLN A1041 -1.944 -14.656 7.035 1.00 0.00 O ATOM 1998 CB GLN A1041 -2.423 -11.817 8.285 1.00 0.00 C ATOM 1999 CG GLN A1041 -3.209 -12.876 9.061 1.00 0.00 C ATOM 2000 CD GLN A1041 -3.927 -12.257 10.262 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -3.711 -12.626 11.404 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -4.790 -11.297 9.940 1.00 0.00 N ATOM 0 H GLN A1041 -0.910 -10.522 6.786 1.00 0.00 H new ATOM 0 HA GLN A1041 -0.579 -12.881 8.351 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -2.091 -11.033 8.966 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -3.072 -11.345 7.548 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -3.937 -13.349 8.402 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -2.532 -13.659 9.402 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -4.922 -11.037 8.963 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -5.319 -10.821 10.671 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.663 -13.188 5.339 1.00 0.00 N ATOM 2012 CA ALA A1042 -2.053 -14.134 4.307 1.00 0.00 C ATOM 2013 C ALA A1042 -0.837 -14.969 3.901 1.00 0.00 C ATOM 2014 O ALA A1042 -0.871 -16.197 3.972 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.662 -13.378 3.125 1.00 0.00 C ATOM 0 H ALA A1042 -1.414 -12.261 4.995 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.813 -14.819 4.682 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -2.954 -14.088 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.539 -12.825 3.460 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.927 -12.682 2.720 1.00 0.00 H new ATOM 2021 N ARG A1043 0.209 -14.270 3.485 1.00 0.00 N ATOM 2022 CA ARG A1043 1.433 -14.932 3.068 1.00 0.00 C ATOM 2023 C ARG A1043 1.714 -16.141 3.962 1.00 0.00 C ATOM 2024 O ARG A1043 2.088 -17.206 3.473 1.00 0.00 O ATOM 2025 CB ARG A1043 2.625 -13.975 3.127 1.00 0.00 C ATOM 2026 CG ARG A1043 3.740 -14.429 2.184 1.00 0.00 C ATOM 2027 CD ARG A1043 4.168 -13.292 1.253 1.00 0.00 C ATOM 2028 NE ARG A1043 4.811 -13.845 0.040 1.00 0.00 N ATOM 2029 CZ ARG A1043 5.132 -13.118 -1.038 1.00 0.00 C ATOM 2030 NH1 ARG A1043 4.872 -11.803 -1.061 1.00 0.00 N ATOM 2031 NH2 ARG A1043 5.713 -13.705 -2.093 1.00 0.00 N ATOM 0 H ARG A1043 0.234 -13.252 3.428 1.00 0.00 H new ATOM 0 HA ARG A1043 1.297 -15.261 2.038 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.302 -12.970 2.857 1.00 0.00 H new ATOM 0 HB3 ARG A1043 3.005 -13.924 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A1043 4.597 -14.770 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A1043 3.398 -15.279 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A1043 3.301 -12.694 0.974 1.00 0.00 H new ATOM 0 HD3 ARG A1043 4.860 -12.628 1.771 1.00 0.00 H new ATOM 0 HE ARG A1043 5.023 -14.843 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A1043 4.430 -11.356 -0.258 1.00 0.00 H new ATOM 0 HH12 ARG A1043 5.116 -11.249 -1.882 1.00 0.00 H new ATOM 0 HH21 ARG A1043 5.911 -14.705 -2.075 1.00 0.00 H new ATOM 0 HH22 ARG A1043 5.957 -13.151 -2.914 1.00 0.00 H new ATOM 2045 N LEU A1044 1.523 -15.937 5.257 1.00 0.00 N ATOM 2046 CA LEU A1044 1.751 -16.997 6.224 1.00 0.00 C ATOM 2047 C LEU A1044 0.713 -18.101 6.018 1.00 0.00 C ATOM 2048 O LEU A1044 1.061 -19.278 5.933 1.00 0.00 O ATOM 2049 CB LEU A1044 1.772 -16.430 7.645 1.00 0.00 C ATOM 2050 CG LEU A1044 0.537 -15.633 8.068 1.00 0.00 C ATOM 2051 CD1 LEU A1044 -0.566 -16.562 8.581 1.00 0.00 C ATOM 2052 CD2 LEU A1044 0.902 -14.557 9.093 1.00 0.00 C ATOM 0 H LEU A1044 1.213 -15.053 5.659 1.00 0.00 H new ATOM 0 HA LEU A1044 2.731 -17.448 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.903 -17.257 8.343 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.647 -15.787 7.745 1.00 0.00 H new ATOM 0 HG LEU A1044 0.145 -15.121 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -1.433 -15.970 8.875 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.852 -17.257 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -0.200 -17.121 9.442 1.00 0.00 H new ATOM 0 HD21 LEU A1044 0.006 -14.005 9.376 1.00 0.00 H new ATOM 0 HD22 LEU A1044 1.333 -15.028 9.977 1.00 0.00 H new ATOM 0 HD23 LEU A1044 1.628 -13.870 8.657 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.542 -17.683 5.944 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.634 -18.623 5.749 1.00 0.00 C ATOM 2066 C LYS A1045 -1.208 -19.691 4.740 1.00 0.00 C ATOM 2067 O LYS A1045 -1.672 -20.828 4.802 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.914 -17.882 5.358 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.644 -17.356 6.596 1.00 0.00 C ATOM 2070 CD LYS A1045 -5.158 -17.352 6.379 1.00 0.00 C ATOM 2071 CE LYS A1045 -5.869 -16.585 7.496 1.00 0.00 C ATOM 2072 NZ LYS A1045 -5.729 -17.298 8.785 1.00 0.00 N ATOM 0 H LYS A1045 -0.827 -16.706 6.015 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.864 -19.139 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.670 -17.052 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -3.570 -18.551 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -3.398 -17.976 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -3.303 -16.346 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -5.390 -16.897 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -5.527 -18.377 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -5.450 -15.583 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.925 -16.469 7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -6.274 -16.800 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -6.089 -18.269 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -4.726 -17.327 9.059 1.00 0.00 H new ATOM 2086 N MET A1046 -0.330 -19.287 3.834 1.00 0.00 N ATOM 2087 CA MET A1046 0.164 -20.195 2.813 1.00 0.00 C ATOM 2088 C MET A1046 1.376 -20.980 3.317 1.00 0.00 C ATOM 2089 O MET A1046 1.386 -22.209 3.276 1.00 0.00 O ATOM 2090 CB MET A1046 0.553 -19.398 1.566 1.00 0.00 C ATOM 2091 CG MET A1046 1.499 -20.205 0.673 1.00 0.00 C ATOM 2092 SD MET A1046 3.162 -19.573 0.818 1.00 0.00 S ATOM 2093 CE MET A1046 2.922 -17.922 0.184 1.00 0.00 C ATOM 0 H MET A1046 0.052 -18.343 3.786 1.00 0.00 H new ATOM 0 HA MET A1046 -0.628 -20.904 2.570 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.343 -19.132 1.006 1.00 0.00 H new ATOM 0 HB3 MET A1046 1.033 -18.465 1.861 1.00 0.00 H new ATOM 0 HG2 MET A1046 1.474 -21.256 0.959 1.00 0.00 H new ATOM 0 HG3 MET A1046 1.169 -20.149 -0.364 1.00 0.00 H new ATOM 0 HE1 MET A1046 3.881 -17.510 -0.130 1.00 0.00 H new ATOM 0 HE2 MET A1046 2.244 -17.955 -0.669 1.00 0.00 H new ATOM 0 HE3 MET A1046 2.494 -17.292 0.963 1.00 0.00 H new ATOM 2103 N ILE A1047 2.371 -20.237 3.781 1.00 0.00 N ATOM 2104 CA ILE A1047 3.586 -20.848 4.292 1.00 0.00 C ATOM 2105 C ILE A1047 3.218 -22.036 5.184 1.00 0.00 C ATOM 2106 O ILE A1047 3.648 -23.161 4.933 1.00 0.00 O ATOM 2107 CB ILE A1047 4.458 -19.802 4.990 1.00 0.00 C ATOM 2108 CG1 ILE A1047 5.275 -19.002 3.973 1.00 0.00 C ATOM 2109 CG2 ILE A1047 5.346 -20.451 6.054 1.00 0.00 C ATOM 2110 CD1 ILE A1047 5.163 -17.500 4.240 1.00 0.00 C ATOM 0 H ILE A1047 2.360 -19.218 3.814 1.00 0.00 H new ATOM 0 HA ILE A1047 4.190 -21.239 3.473 1.00 0.00 H new ATOM 0 HB ILE A1047 3.803 -19.098 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A1047 6.321 -19.307 4.021 1.00 0.00 H new ATOM 0 HG13 ILE A1047 4.924 -19.223 2.965 1.00 0.00 H new ATOM 0 HG21 ILE A1047 5.956 -19.686 6.535 1.00 0.00 H new ATOM 0 HG22 ILE A1047 4.721 -20.940 6.801 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.995 -21.190 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.753 -16.955 3.503 1.00 0.00 H new ATOM 0 HD12 ILE A1047 4.119 -17.194 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A1047 5.537 -17.279 5.240 1.00 0.00 H new