USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1008 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A1017 TYR OH : rot -140:sc= 1.36 USER MOD Set 2.1: A1007 GLN : amide:sc= 0 X(o=-2.1,f=-1.8) USER MOD Set 2.2: A1010 MET CE :methyl -119:sc= -2.07 (180deg=-5.9!) USER MOD Set 3.1: A 939 MET CE :methyl 138:sc= -4.29! (180deg=-10.1!) USER MOD Set 3.2: A1021 MET CE :methyl -149:sc= -1.64 (180deg=-0.00407) USER MOD Single : A 922 ASN : amide:sc= -0.862 K(o=-0.86,f=0.17) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 930 THR OG1 : rot -119:sc= -0.405 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -63:sc= 0.56 USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ -102:sc= -0.232 (180deg=-1.7!) USER MOD Single : A 944 GLN : amide:sc=-0.00814 X(o=-0.0081,f=-0.012) USER MOD Single : A 951 TYR OH : rot 130:sc= -0.572 USER MOD Single : A 954 MET CE :methyl -132:sc= -2.06! (180deg=-8.48!) USER MOD Single : A 956 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.25) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 120:sc= -3.36! USER MOD Single : A 972 SER OG : rot 180:sc= -0.154 USER MOD Single : A 979 SER OG : rot -34:sc= -0.298 USER MOD Single : A 980 THR OG1 : rot 14:sc= -1.76 USER MOD Single : A 981 HIS : no HD1:sc= -2.44! K(o=-2.4!,f=-1.3) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN : amide:sc= -2.49! C(o=-2.5!,f=-6.1!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -3.68! C(o=-3.7!,f=-5.5!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.0205 X(o=-0.021,f=-0.088) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 MET CE :methyl 148:sc= -2.53! (180deg=-4.22!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -2.45 K(o=-2.5,f=-4.1!) USER MOD Single : A1011 THR OG1 : rot 180:sc= -0.324! USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.9!) USER MOD Single : A1015 GLN : amide:sc= -0.0926 X(o=-0.093,f=-0.2) USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0.0572 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.7!) USER MOD Single : A1041 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4.6!) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl 176:sc= -3.43! (180deg=-3.49!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.839 -9.692 -6.699 1.00 0.00 N ATOM 108 CA ASN A 922 5.791 -9.404 -5.276 1.00 0.00 C ATOM 109 C ASN A 922 6.644 -8.169 -4.980 1.00 0.00 C ATOM 110 O ASN A 922 6.401 -7.462 -4.004 1.00 0.00 O ATOM 111 CB ASN A 922 6.349 -10.571 -4.459 1.00 0.00 C ATOM 112 CG ASN A 922 5.361 -11.740 -4.426 1.00 0.00 C ATOM 113 OD1 ASN A 922 4.785 -12.127 -5.429 1.00 0.00 O ATOM 114 ND2 ASN A 922 5.199 -12.277 -3.221 1.00 0.00 N ATOM 0 HA ASN A 922 4.750 -9.236 -5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 922 7.294 -10.901 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 922 6.560 -10.240 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 922 4.561 -13.062 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 922 5.713 -11.904 -2.423 1.00 0.00 H new ATOM 121 N ASP A 923 7.626 -7.948 -5.841 1.00 0.00 N ATOM 122 CA ASP A 923 8.517 -6.811 -5.685 1.00 0.00 C ATOM 123 C ASP A 923 7.831 -5.553 -6.221 1.00 0.00 C ATOM 124 O ASP A 923 7.814 -4.519 -5.555 1.00 0.00 O ATOM 125 CB ASP A 923 9.813 -7.014 -6.472 1.00 0.00 C ATOM 126 CG ASP A 923 11.096 -6.720 -5.692 1.00 0.00 C ATOM 127 OD1 ASP A 923 11.493 -7.601 -4.899 1.00 0.00 O ATOM 128 OD2 ASP A 923 11.651 -5.621 -5.907 1.00 0.00 O ATOM 0 H ASP A 923 7.824 -8.537 -6.650 1.00 0.00 H new ATOM 0 HA ASP A 923 8.751 -6.710 -4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.848 -8.045 -6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 923 9.788 -6.375 -7.355 1.00 0.00 H new ATOM 133 N LYS A 924 7.280 -5.683 -7.419 1.00 0.00 N ATOM 134 CA LYS A 924 6.594 -4.570 -8.052 1.00 0.00 C ATOM 135 C LYS A 924 5.605 -3.955 -7.059 1.00 0.00 C ATOM 136 O LYS A 924 5.723 -2.783 -6.706 1.00 0.00 O ATOM 137 CB LYS A 924 5.950 -5.015 -9.366 1.00 0.00 C ATOM 138 CG LYS A 924 6.688 -4.421 -10.568 1.00 0.00 C ATOM 139 CD LYS A 924 6.037 -3.112 -11.018 1.00 0.00 C ATOM 140 CE LYS A 924 6.829 -1.904 -10.514 1.00 0.00 C ATOM 141 NZ LYS A 924 7.189 -1.013 -11.640 1.00 0.00 N ATOM 0 H LYS A 924 7.295 -6.543 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 924 7.304 -3.788 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 924 5.960 -6.103 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 924 4.905 -4.704 -9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 924 7.731 -4.242 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 924 6.684 -5.135 -11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 924 5.980 -3.085 -12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 924 5.014 -3.063 -10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 924 6.238 -1.354 -9.782 1.00 0.00 H new ATOM 0 HE3 LYS A 924 7.733 -2.241 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 7.726 -0.198 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 7.771 -1.537 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 6.323 -0.677 -12.108 1.00 0.00 H new ATOM 155 N VAL A 925 4.653 -4.774 -6.638 1.00 0.00 N ATOM 156 CA VAL A 925 3.644 -4.326 -5.693 1.00 0.00 C ATOM 157 C VAL A 925 4.331 -3.666 -4.495 1.00 0.00 C ATOM 158 O VAL A 925 4.192 -2.462 -4.281 1.00 0.00 O ATOM 159 CB VAL A 925 2.743 -5.496 -5.295 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.652 -5.042 -4.322 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.133 -6.163 -6.529 1.00 0.00 C ATOM 0 H VAL A 925 4.559 -5.746 -6.934 1.00 0.00 H new ATOM 0 HA VAL A 925 2.998 -3.577 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 925 3.361 -6.235 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 925 1.025 -5.893 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 925 2.113 -4.635 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 925 1.039 -4.274 -4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.497 -6.992 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.537 -5.435 -7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 925 2.930 -6.539 -7.171 1.00 0.00 H new ATOM 171 N TYR A 926 5.057 -4.483 -3.746 1.00 0.00 N ATOM 172 CA TYR A 926 5.766 -3.993 -2.576 1.00 0.00 C ATOM 173 C TYR A 926 6.539 -2.713 -2.898 1.00 0.00 C ATOM 174 O TYR A 926 6.689 -1.842 -2.043 1.00 0.00 O ATOM 175 CB TYR A 926 6.759 -5.093 -2.194 1.00 0.00 C ATOM 176 CG TYR A 926 6.144 -6.231 -1.378 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.831 -6.600 -1.588 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.903 -6.890 -0.432 1.00 0.00 C ATOM 179 CE1 TYR A 926 4.252 -7.672 -0.820 1.00 0.00 C ATOM 180 CE2 TYR A 926 6.324 -7.962 0.336 1.00 0.00 C ATOM 181 CZ TYR A 926 5.027 -8.300 0.104 1.00 0.00 C ATOM 182 OH TYR A 926 4.480 -9.312 0.829 1.00 0.00 O ATOM 0 H TYR A 926 5.170 -5.481 -3.926 1.00 0.00 H new ATOM 0 HA TYR A 926 5.067 -3.763 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.195 -5.506 -3.103 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.574 -4.650 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.237 -6.085 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.931 -6.602 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 926 3.226 -7.970 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.907 -8.486 1.079 1.00 0.00 H new ATOM 0 HH TYR A 926 5.149 -9.669 1.450 1.00 0.00 H new ATOM 192 N GLU A 927 7.009 -2.640 -4.135 1.00 0.00 N ATOM 193 CA GLU A 927 7.763 -1.481 -4.581 1.00 0.00 C ATOM 194 C GLU A 927 6.835 -0.276 -4.750 1.00 0.00 C ATOM 195 O GLU A 927 6.963 0.716 -4.035 1.00 0.00 O ATOM 196 CB GLU A 927 8.513 -1.781 -5.880 1.00 0.00 C ATOM 197 CG GLU A 927 9.474 -0.645 -6.234 1.00 0.00 C ATOM 198 CD GLU A 927 8.903 0.228 -7.354 1.00 0.00 C ATOM 199 OE1 GLU A 927 8.536 -0.355 -8.397 1.00 0.00 O ATOM 200 OE2 GLU A 927 8.847 1.458 -7.142 1.00 0.00 O ATOM 0 H GLU A 927 6.882 -3.364 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 927 8.504 -1.240 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 927 9.069 -2.713 -5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 927 7.799 -1.924 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.661 -0.034 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.433 -1.059 -6.544 1.00 0.00 H new ATOM 207 N ASN A 928 5.920 -0.403 -5.700 1.00 0.00 N ATOM 208 CA ASN A 928 4.971 0.663 -5.972 1.00 0.00 C ATOM 209 C ASN A 928 4.385 1.167 -4.652 1.00 0.00 C ATOM 210 O ASN A 928 4.348 2.372 -4.405 1.00 0.00 O ATOM 211 CB ASN A 928 3.815 0.162 -6.842 1.00 0.00 C ATOM 212 CG ASN A 928 3.405 1.219 -7.869 1.00 0.00 C ATOM 213 OD1 ASN A 928 2.457 1.965 -7.686 1.00 0.00 O ATOM 214 ND2 ASN A 928 4.170 1.241 -8.957 1.00 0.00 N ATOM 0 H ASN A 928 5.816 -1.228 -6.291 1.00 0.00 H new ATOM 0 HA ASN A 928 5.499 1.459 -6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 928 4.111 -0.753 -7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 928 2.962 -0.088 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 928 3.978 1.911 -9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 928 4.948 0.588 -9.046 1.00 0.00 H new ATOM 221 N VAL A 929 3.942 0.220 -3.838 1.00 0.00 N ATOM 222 CA VAL A 929 3.360 0.553 -2.549 1.00 0.00 C ATOM 223 C VAL A 929 4.299 1.502 -1.800 1.00 0.00 C ATOM 224 O VAL A 929 3.896 2.594 -1.403 1.00 0.00 O ATOM 225 CB VAL A 929 3.053 -0.725 -1.767 1.00 0.00 C ATOM 226 CG1 VAL A 929 2.565 -0.400 -0.354 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.037 -1.593 -2.512 1.00 0.00 C ATOM 0 H VAL A 929 3.974 -0.778 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 929 2.411 1.072 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 929 3.979 -1.294 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.354 -1.326 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.336 0.158 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 929 1.657 0.200 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 929 1.836 -2.495 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.111 -1.035 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.439 -1.868 -3.487 1.00 0.00 H new ATOM 237 N THR A 930 5.532 1.049 -1.629 1.00 0.00 N ATOM 238 CA THR A 930 6.531 1.843 -0.935 1.00 0.00 C ATOM 239 C THR A 930 6.868 3.099 -1.741 1.00 0.00 C ATOM 240 O THR A 930 6.599 4.216 -1.299 1.00 0.00 O ATOM 241 CB THR A 930 7.744 0.950 -0.668 1.00 0.00 C ATOM 242 OG1 THR A 930 7.909 0.217 -1.879 1.00 0.00 O ATOM 243 CG2 THR A 930 7.459 -0.126 0.383 1.00 0.00 C ATOM 0 H THR A 930 5.862 0.142 -1.959 1.00 0.00 H new ATOM 0 HA THR A 930 6.155 2.200 0.024 1.00 0.00 H new ATOM 0 HB THR A 930 8.582 1.565 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.806 -0.741 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.352 -0.732 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.179 0.349 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 930 6.643 -0.762 0.040 1.00 0.00 H new ATOM 251 N GLY A 931 7.452 2.875 -2.909 1.00 0.00 N ATOM 252 CA GLY A 931 7.829 3.975 -3.781 1.00 0.00 C ATOM 253 C GLY A 931 6.834 5.132 -3.665 1.00 0.00 C ATOM 254 O GLY A 931 7.226 6.271 -3.417 1.00 0.00 O ATOM 0 H GLY A 931 7.673 1.948 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.829 4.323 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 931 7.870 3.628 -4.813 1.00 0.00 H new ATOM 258 N LEU A 932 5.565 4.799 -3.851 1.00 0.00 N ATOM 259 CA LEU A 932 4.510 5.796 -3.771 1.00 0.00 C ATOM 260 C LEU A 932 4.460 6.366 -2.352 1.00 0.00 C ATOM 261 O LEU A 932 4.477 7.582 -2.167 1.00 0.00 O ATOM 262 CB LEU A 932 3.180 5.208 -4.245 1.00 0.00 C ATOM 263 CG LEU A 932 2.171 4.861 -3.148 1.00 0.00 C ATOM 264 CD1 LEU A 932 1.702 6.120 -2.416 1.00 0.00 C ATOM 265 CD2 LEU A 932 0.999 4.057 -3.715 1.00 0.00 C ATOM 0 H LEU A 932 5.243 3.853 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 932 4.721 6.629 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.714 5.918 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.389 4.305 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 932 2.669 4.229 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.986 5.845 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.559 6.615 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 932 1.227 6.798 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.297 3.824 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.493 4.643 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.371 3.131 -4.153 1.00 0.00 H new ATOM 277 N VAL A 933 4.400 5.460 -1.387 1.00 0.00 N ATOM 278 CA VAL A 933 4.347 5.858 0.010 1.00 0.00 C ATOM 279 C VAL A 933 5.543 6.759 0.325 1.00 0.00 C ATOM 280 O VAL A 933 5.371 7.920 0.691 1.00 0.00 O ATOM 281 CB VAL A 933 4.280 4.619 0.904 1.00 0.00 C ATOM 282 CG1 VAL A 933 5.040 4.846 2.213 1.00 0.00 C ATOM 283 CG2 VAL A 933 2.830 4.216 1.175 1.00 0.00 C ATOM 0 H VAL A 933 4.387 4.452 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 933 3.444 6.435 0.209 1.00 0.00 H new ATOM 0 HB VAL A 933 4.762 3.797 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 933 4.977 3.950 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 933 6.086 5.063 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 933 4.600 5.687 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 933 2.811 3.332 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 933 2.312 5.035 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 933 2.332 3.993 0.231 1.00 0.00 H new ATOM 293 N LYS A 934 6.729 6.189 0.171 1.00 0.00 N ATOM 294 CA LYS A 934 7.954 6.926 0.434 1.00 0.00 C ATOM 295 C LYS A 934 7.818 8.346 -0.120 1.00 0.00 C ATOM 296 O LYS A 934 8.278 9.304 0.499 1.00 0.00 O ATOM 297 CB LYS A 934 9.164 6.166 -0.112 1.00 0.00 C ATOM 298 CG LYS A 934 9.270 4.777 0.521 1.00 0.00 C ATOM 299 CD LYS A 934 10.730 4.328 0.617 1.00 0.00 C ATOM 300 CE LYS A 934 11.340 4.730 1.961 1.00 0.00 C ATOM 301 NZ LYS A 934 12.818 4.737 1.877 1.00 0.00 N ATOM 0 H LYS A 934 6.868 5.225 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 934 8.122 7.017 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 934 9.080 6.071 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.074 6.731 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.824 4.792 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 934 8.703 4.059 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 934 10.790 3.247 0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.305 4.773 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 934 10.981 5.718 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 934 11.017 4.035 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 13.217 5.012 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 13.156 3.787 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 13.121 5.417 1.151 1.00 0.00 H new ATOM 315 N ALA A 935 7.185 8.436 -1.280 1.00 0.00 N ATOM 316 CA ALA A 935 6.983 9.723 -1.925 1.00 0.00 C ATOM 317 C ALA A 935 5.996 10.552 -1.100 1.00 0.00 C ATOM 318 O ALA A 935 6.278 11.698 -0.756 1.00 0.00 O ATOM 319 CB ALA A 935 6.504 9.505 -3.361 1.00 0.00 C ATOM 0 H ALA A 935 6.805 7.639 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 935 7.919 10.279 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.353 10.470 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.253 8.937 -3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.564 8.953 -3.351 1.00 0.00 H new ATOM 325 N VAL A 936 4.858 9.939 -0.807 1.00 0.00 N ATOM 326 CA VAL A 936 3.828 10.606 -0.030 1.00 0.00 C ATOM 327 C VAL A 936 4.485 11.428 1.081 1.00 0.00 C ATOM 328 O VAL A 936 4.043 12.536 1.382 1.00 0.00 O ATOM 329 CB VAL A 936 2.825 9.579 0.500 1.00 0.00 C ATOM 330 CG1 VAL A 936 1.802 10.240 1.427 1.00 0.00 C ATOM 331 CG2 VAL A 936 2.130 8.848 -0.650 1.00 0.00 C ATOM 0 H VAL A 936 4.627 8.988 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 936 3.265 11.298 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 936 3.377 8.841 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.101 9.488 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 936 2.318 10.694 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.258 11.009 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.422 8.124 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.597 9.569 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.874 8.330 -1.254 1.00 0.00 H new ATOM 341 N ILE A 937 5.529 10.854 1.660 1.00 0.00 N ATOM 342 CA ILE A 937 6.251 11.519 2.731 1.00 0.00 C ATOM 343 C ILE A 937 7.289 12.468 2.127 1.00 0.00 C ATOM 344 O ILE A 937 7.178 13.685 2.268 1.00 0.00 O ATOM 345 CB ILE A 937 6.845 10.491 3.696 1.00 0.00 C ATOM 346 CG1 ILE A 937 5.917 9.285 3.852 1.00 0.00 C ATOM 347 CG2 ILE A 937 7.182 11.134 5.043 1.00 0.00 C ATOM 348 CD1 ILE A 937 4.457 9.728 3.961 1.00 0.00 C ATOM 0 H ILE A 937 5.892 9.935 1.407 1.00 0.00 H new ATOM 0 HA ILE A 937 5.572 12.127 3.329 1.00 0.00 H new ATOM 0 HB ILE A 937 7.780 10.124 3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 937 6.036 8.617 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 937 6.196 8.719 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 937 7.603 10.382 5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 937 7.908 11.933 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 937 6.276 11.546 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 937 3.818 8.852 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 937 4.337 10.376 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 937 4.174 10.273 3.060 1.00 0.00 H new ATOM 360 N GLU A 938 8.273 11.875 1.468 1.00 0.00 N ATOM 361 CA GLU A 938 9.330 12.653 0.843 1.00 0.00 C ATOM 362 C GLU A 938 8.765 13.958 0.278 1.00 0.00 C ATOM 363 O GLU A 938 9.353 15.023 0.462 1.00 0.00 O ATOM 364 CB GLU A 938 10.034 11.843 -0.247 1.00 0.00 C ATOM 365 CG GLU A 938 11.534 11.732 0.035 1.00 0.00 C ATOM 366 CD GLU A 938 11.905 10.315 0.478 1.00 0.00 C ATOM 367 OE1 GLU A 938 11.482 9.372 -0.224 1.00 0.00 O ATOM 368 OE2 GLU A 938 12.603 10.208 1.510 1.00 0.00 O ATOM 0 H GLU A 938 8.361 10.865 1.353 1.00 0.00 H new ATOM 0 HA GLU A 938 10.071 12.900 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.596 10.846 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.877 12.317 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 938 12.097 11.996 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.816 12.445 0.810 1.00 0.00 H new ATOM 375 N MET A 939 7.632 13.832 -0.397 1.00 0.00 N ATOM 376 CA MET A 939 6.982 14.989 -0.989 1.00 0.00 C ATOM 377 C MET A 939 6.817 16.111 0.037 1.00 0.00 C ATOM 378 O MET A 939 7.330 17.212 -0.153 1.00 0.00 O ATOM 379 CB MET A 939 5.608 14.582 -1.527 1.00 0.00 C ATOM 380 CG MET A 939 5.162 15.516 -2.654 1.00 0.00 C ATOM 381 SD MET A 939 3.382 15.522 -2.774 1.00 0.00 S ATOM 382 CE MET A 939 2.959 15.952 -1.094 1.00 0.00 C ATOM 0 H MET A 939 7.148 12.947 -0.547 1.00 0.00 H new ATOM 0 HA MET A 939 7.607 15.357 -1.803 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.646 13.556 -1.894 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.876 14.605 -0.720 1.00 0.00 H new ATOM 0 HG2 MET A 939 5.525 16.526 -2.465 1.00 0.00 H new ATOM 0 HG3 MET A 939 5.597 15.192 -3.599 1.00 0.00 H new ATOM 0 HE1 MET A 939 2.145 16.676 -1.098 1.00 0.00 H new ATOM 0 HE2 MET A 939 2.646 15.057 -0.557 1.00 0.00 H new ATOM 0 HE3 MET A 939 3.828 16.386 -0.600 1.00 0.00 H new ATOM 392 N SER A 940 6.098 15.792 1.104 1.00 0.00 N ATOM 393 CA SER A 940 5.858 16.760 2.161 1.00 0.00 C ATOM 394 C SER A 940 7.160 17.482 2.515 1.00 0.00 C ATOM 395 O SER A 940 7.151 18.675 2.815 1.00 0.00 O ATOM 396 CB SER A 940 5.272 16.085 3.403 1.00 0.00 C ATOM 397 OG SER A 940 6.287 15.583 4.267 1.00 0.00 O ATOM 0 H SER A 940 5.674 14.877 1.259 1.00 0.00 H new ATOM 0 HA SER A 940 5.132 17.488 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 940 4.654 16.800 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 940 4.619 15.267 3.097 1.00 0.00 H new ATOM 0 HG SER A 940 6.793 14.882 3.805 1.00 0.00 H new ATOM 403 N SER A 941 8.249 16.728 2.467 1.00 0.00 N ATOM 404 CA SER A 941 9.556 17.281 2.778 1.00 0.00 C ATOM 405 C SER A 941 9.939 18.338 1.739 1.00 0.00 C ATOM 406 O SER A 941 10.613 19.314 2.061 1.00 0.00 O ATOM 407 CB SER A 941 10.620 16.183 2.834 1.00 0.00 C ATOM 408 OG SER A 941 11.786 16.530 2.092 1.00 0.00 O ATOM 0 H SER A 941 8.253 15.739 2.217 1.00 0.00 H new ATOM 0 HA SER A 941 9.503 17.749 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.894 15.996 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 941 10.204 15.255 2.442 1.00 0.00 H new ATOM 0 HG SER A 941 12.441 15.804 2.154 1.00 0.00 H new ATOM 414 N LYS A 942 9.490 18.106 0.514 1.00 0.00 N ATOM 415 CA LYS A 942 9.777 19.026 -0.574 1.00 0.00 C ATOM 416 C LYS A 942 8.463 19.586 -1.122 1.00 0.00 C ATOM 417 O LYS A 942 8.396 20.003 -2.277 1.00 0.00 O ATOM 418 CB LYS A 942 10.646 18.347 -1.635 1.00 0.00 C ATOM 419 CG LYS A 942 10.050 17.000 -2.051 1.00 0.00 C ATOM 420 CD LYS A 942 10.121 16.814 -3.568 1.00 0.00 C ATOM 421 CE LYS A 942 8.720 16.716 -4.174 1.00 0.00 C ATOM 422 NZ LYS A 942 8.479 15.354 -4.703 1.00 0.00 N ATOM 0 H LYS A 942 8.930 17.295 0.251 1.00 0.00 H new ATOM 0 HA LYS A 942 10.360 19.873 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 942 10.734 18.995 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.653 18.198 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.589 16.192 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 942 9.013 16.940 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.657 17.651 -4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.686 15.912 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 942 7.973 16.957 -3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.611 17.448 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.585 15.360 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.167 14.694 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 7.515 15.051 -4.456 1.00 0.00 H new ATOM 436 N ILE A 943 7.451 19.577 -0.267 1.00 0.00 N ATOM 437 CA ILE A 943 6.142 20.079 -0.651 1.00 0.00 C ATOM 438 C ILE A 943 6.017 21.543 -0.223 1.00 0.00 C ATOM 439 O ILE A 943 5.608 22.392 -1.014 1.00 0.00 O ATOM 440 CB ILE A 943 5.038 19.179 -0.094 1.00 0.00 C ATOM 441 CG1 ILE A 943 3.879 19.056 -1.085 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.571 19.669 1.278 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.166 20.398 -1.263 1.00 0.00 C ATOM 0 H ILE A 943 7.511 19.230 0.690 1.00 0.00 H new ATOM 0 HA ILE A 943 6.026 20.052 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 943 5.450 18.179 0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.254 18.709 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.170 18.308 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.786 19.011 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.411 19.662 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.183 20.684 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.346 20.283 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.771 20.730 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.872 21.138 -1.641 1.00 0.00 H new ATOM 455 N GLN A 944 6.376 21.793 1.028 1.00 0.00 N ATOM 456 CA GLN A 944 6.309 23.139 1.570 1.00 0.00 C ATOM 457 C GLN A 944 6.933 24.138 0.593 1.00 0.00 C ATOM 458 O GLN A 944 6.309 25.136 0.237 1.00 0.00 O ATOM 459 CB GLN A 944 6.989 23.214 2.939 1.00 0.00 C ATOM 460 CG GLN A 944 6.057 23.832 3.982 1.00 0.00 C ATOM 461 CD GLN A 944 6.855 24.499 5.104 1.00 0.00 C ATOM 462 OE1 GLN A 944 7.812 23.954 5.628 1.00 0.00 O ATOM 463 NE2 GLN A 944 6.409 25.706 5.442 1.00 0.00 N ATOM 0 H GLN A 944 6.714 21.086 1.681 1.00 0.00 H new ATOM 0 HA GLN A 944 5.260 23.402 1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 944 7.284 22.214 3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 944 7.901 23.807 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.409 24.567 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 944 5.410 23.060 4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 944 5.602 26.104 4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 944 6.874 26.233 6.181 1.00 0.00 H new ATOM 472 N PRO A 945 8.189 23.825 0.176 1.00 0.00 N ATOM 473 CA PRO A 945 8.904 24.683 -0.754 1.00 0.00 C ATOM 474 C PRO A 945 8.357 24.529 -2.174 1.00 0.00 C ATOM 475 O PRO A 945 8.051 25.520 -2.836 1.00 0.00 O ATOM 476 CB PRO A 945 10.361 24.268 -0.630 1.00 0.00 C ATOM 477 CG PRO A 945 10.349 22.890 0.011 1.00 0.00 C ATOM 478 CD PRO A 945 8.959 22.651 0.576 1.00 0.00 C ATOM 0 HA PRO A 945 8.784 25.742 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 945 10.844 24.240 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 945 10.919 24.978 -0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.599 22.125 -0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.098 22.830 0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.521 21.736 0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 945 8.985 22.545 1.661 1.00 0.00 H new ATOM 486 N ALA A 946 8.250 23.279 -2.601 1.00 0.00 N ATOM 487 CA ALA A 946 7.744 22.983 -3.930 1.00 0.00 C ATOM 488 C ALA A 946 6.672 24.009 -4.304 1.00 0.00 C ATOM 489 O ALA A 946 5.740 24.246 -3.536 1.00 0.00 O ATOM 490 CB ALA A 946 7.217 21.548 -3.968 1.00 0.00 C ATOM 0 H ALA A 946 8.505 22.460 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 946 8.542 23.056 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 946 6.837 21.326 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.024 20.857 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.413 21.436 -3.241 1.00 0.00 H new ATOM 496 N PRO A 947 6.844 24.605 -5.514 1.00 0.00 N ATOM 497 CA PRO A 947 5.902 25.599 -5.999 1.00 0.00 C ATOM 498 C PRO A 947 4.603 24.941 -6.469 1.00 0.00 C ATOM 499 O PRO A 947 4.486 23.717 -6.463 1.00 0.00 O ATOM 500 CB PRO A 947 6.636 26.327 -7.113 1.00 0.00 C ATOM 501 CG PRO A 947 7.780 25.414 -7.523 1.00 0.00 C ATOM 502 CD PRO A 947 7.935 24.349 -6.450 1.00 0.00 C ATOM 0 HA PRO A 947 5.591 26.298 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 947 5.972 26.524 -7.955 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.010 27.292 -6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.574 24.955 -8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 947 8.703 25.984 -7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 947 7.867 23.347 -6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 947 8.905 24.421 -5.957 1.00 0.00 H new ATOM 510 N PRO A 948 3.635 25.806 -6.875 1.00 0.00 N ATOM 511 CA PRO A 948 2.349 25.321 -7.347 1.00 0.00 C ATOM 512 C PRO A 948 2.466 24.737 -8.756 1.00 0.00 C ATOM 513 O PRO A 948 1.585 24.005 -9.204 1.00 0.00 O ATOM 514 CB PRO A 948 1.425 26.527 -7.278 1.00 0.00 C ATOM 515 CG PRO A 948 2.333 27.744 -7.215 1.00 0.00 C ATOM 516 CD PRO A 948 3.738 27.262 -6.895 1.00 0.00 C ATOM 0 HA PRO A 948 1.960 24.502 -6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.774 26.570 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.780 26.475 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.320 28.279 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 948 1.985 28.440 -6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.453 27.598 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.080 27.648 -5.935 1.00 0.00 H new ATOM 524 N GLU A 949 3.562 25.083 -9.415 1.00 0.00 N ATOM 525 CA GLU A 949 3.807 24.602 -10.764 1.00 0.00 C ATOM 526 C GLU A 949 4.534 23.256 -10.725 1.00 0.00 C ATOM 527 O GLU A 949 4.603 22.554 -11.732 1.00 0.00 O ATOM 528 CB GLU A 949 4.598 25.629 -11.577 1.00 0.00 C ATOM 529 CG GLU A 949 3.673 26.433 -12.493 1.00 0.00 C ATOM 530 CD GLU A 949 3.460 25.712 -13.826 1.00 0.00 C ATOM 531 OE1 GLU A 949 4.475 25.251 -14.391 1.00 0.00 O ATOM 532 OE2 GLU A 949 2.287 25.639 -14.251 1.00 0.00 O ATOM 0 H GLU A 949 4.290 25.691 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 949 2.846 24.459 -11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.125 26.304 -10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.355 25.120 -12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 949 2.713 26.587 -12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 949 4.101 27.419 -12.673 1.00 0.00 H new ATOM 539 N GLU A 950 5.058 22.937 -9.550 1.00 0.00 N ATOM 540 CA GLU A 950 5.777 21.688 -9.366 1.00 0.00 C ATOM 541 C GLU A 950 5.015 20.773 -8.406 1.00 0.00 C ATOM 542 O GLU A 950 5.347 19.597 -8.268 1.00 0.00 O ATOM 543 CB GLU A 950 7.200 21.944 -8.867 1.00 0.00 C ATOM 544 CG GLU A 950 8.223 21.185 -9.714 1.00 0.00 C ATOM 545 CD GLU A 950 8.574 21.967 -10.982 1.00 0.00 C ATOM 546 OE1 GLU A 950 9.504 22.797 -10.897 1.00 0.00 O ATOM 547 OE2 GLU A 950 7.903 21.717 -12.006 1.00 0.00 O ATOM 0 H GLU A 950 4.999 23.522 -8.717 1.00 0.00 H new ATOM 0 HA GLU A 950 5.850 21.187 -10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.415 23.012 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.285 21.636 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.126 21.009 -9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.823 20.208 -9.984 1.00 0.00 H new ATOM 554 N TYR A 951 4.007 21.348 -7.766 1.00 0.00 N ATOM 555 CA TYR A 951 3.195 20.599 -6.822 1.00 0.00 C ATOM 556 C TYR A 951 1.989 19.964 -7.519 1.00 0.00 C ATOM 557 O TYR A 951 1.560 18.871 -7.152 1.00 0.00 O ATOM 558 CB TYR A 951 2.696 21.617 -5.794 1.00 0.00 C ATOM 559 CG TYR A 951 1.825 21.012 -4.692 1.00 0.00 C ATOM 560 CD1 TYR A 951 2.142 19.778 -4.160 1.00 0.00 C ATOM 561 CD2 TYR A 951 0.721 21.699 -4.229 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.322 19.209 -3.123 1.00 0.00 C ATOM 563 CE2 TYR A 951 -0.099 21.130 -3.192 1.00 0.00 C ATOM 564 CZ TYR A 951 0.242 19.913 -2.689 1.00 0.00 C ATOM 565 OH TYR A 951 -0.533 19.375 -1.710 1.00 0.00 O ATOM 0 H TYR A 951 3.734 22.324 -7.883 1.00 0.00 H new ATOM 0 HA TYR A 951 3.777 19.797 -6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.555 22.107 -5.336 1.00 0.00 H new ATOM 0 HB3 TYR A 951 2.126 22.390 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 951 3.005 19.240 -4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.472 22.664 -4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.559 18.244 -2.699 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.966 21.657 -2.822 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.669 20.037 -1.000 1.00 0.00 H new ATOM 575 N VAL A 952 1.478 20.676 -8.513 1.00 0.00 N ATOM 576 CA VAL A 952 0.331 20.196 -9.264 1.00 0.00 C ATOM 577 C VAL A 952 0.594 18.762 -9.727 1.00 0.00 C ATOM 578 O VAL A 952 -0.256 17.888 -9.567 1.00 0.00 O ATOM 579 CB VAL A 952 0.025 21.151 -10.420 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.386 20.379 -11.675 1.00 0.00 C ATOM 581 CG2 VAL A 952 -1.049 22.166 -10.023 1.00 0.00 C ATOM 0 H VAL A 952 1.837 21.581 -8.815 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.557 20.176 -8.633 1.00 0.00 H new ATOM 0 HB VAL A 952 0.937 21.702 -10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.598 21.081 -12.481 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.425 19.715 -11.976 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.278 19.789 -11.464 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.248 22.833 -10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.965 21.640 -9.753 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.701 22.750 -9.171 1.00 0.00 H new ATOM 591 N PRO A 953 1.807 18.559 -10.307 1.00 0.00 N ATOM 592 CA PRO A 953 2.193 17.246 -10.795 1.00 0.00 C ATOM 593 C PRO A 953 2.553 16.314 -9.635 1.00 0.00 C ATOM 594 O PRO A 953 1.995 15.225 -9.513 1.00 0.00 O ATOM 595 CB PRO A 953 3.360 17.502 -11.735 1.00 0.00 C ATOM 596 CG PRO A 953 3.882 18.886 -11.383 1.00 0.00 C ATOM 597 CD PRO A 953 2.840 19.570 -10.514 1.00 0.00 C ATOM 0 HA PRO A 953 1.383 16.737 -11.317 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.137 16.748 -11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.040 17.458 -12.776 1.00 0.00 H new ATOM 0 HG2 PRO A 953 4.832 18.812 -10.853 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.065 19.466 -12.287 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.268 19.898 -9.567 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.435 20.455 -11.004 1.00 0.00 H new ATOM 605 N MET A 954 3.484 16.777 -8.814 1.00 0.00 N ATOM 606 CA MET A 954 3.925 15.999 -7.669 1.00 0.00 C ATOM 607 C MET A 954 2.801 15.101 -7.150 1.00 0.00 C ATOM 608 O MET A 954 2.932 13.878 -7.142 1.00 0.00 O ATOM 609 CB MET A 954 4.380 16.944 -6.554 1.00 0.00 C ATOM 610 CG MET A 954 5.904 16.941 -6.421 1.00 0.00 C ATOM 611 SD MET A 954 6.477 18.560 -5.936 1.00 0.00 S ATOM 612 CE MET A 954 5.522 18.794 -4.446 1.00 0.00 C ATOM 0 H MET A 954 3.945 17.681 -8.919 1.00 0.00 H new ATOM 0 HA MET A 954 4.755 15.366 -7.982 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.032 17.955 -6.765 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.928 16.642 -5.609 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.211 16.201 -5.682 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.360 16.654 -7.369 1.00 0.00 H new ATOM 0 HE1 MET A 954 5.057 19.780 -4.463 1.00 0.00 H new ATOM 0 HE2 MET A 954 4.748 18.029 -4.386 1.00 0.00 H new ATOM 0 HE3 MET A 954 6.177 18.717 -3.578 1.00 0.00 H new ATOM 622 N VAL A 955 1.721 15.743 -6.729 1.00 0.00 N ATOM 623 CA VAL A 955 0.574 15.017 -6.210 1.00 0.00 C ATOM 624 C VAL A 955 -0.013 14.140 -7.317 1.00 0.00 C ATOM 625 O VAL A 955 -0.181 12.935 -7.136 1.00 0.00 O ATOM 626 CB VAL A 955 -0.443 15.998 -5.622 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.867 15.450 -5.744 1.00 0.00 C ATOM 628 CG2 VAL A 955 -0.107 16.330 -4.167 1.00 0.00 C ATOM 0 H VAL A 955 1.616 16.758 -6.737 1.00 0.00 H new ATOM 0 HA VAL A 955 0.876 14.356 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.388 16.922 -6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.570 16.166 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -2.106 15.288 -6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.941 14.505 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.845 17.029 -3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -0.120 15.416 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.884 16.782 -4.116 1.00 0.00 H new ATOM 638 N LYS A 956 -0.309 14.778 -8.440 1.00 0.00 N ATOM 639 CA LYS A 956 -0.874 14.070 -9.576 1.00 0.00 C ATOM 640 C LYS A 956 -0.124 12.752 -9.775 1.00 0.00 C ATOM 641 O LYS A 956 -0.732 11.727 -10.081 1.00 0.00 O ATOM 642 CB LYS A 956 -0.880 14.967 -10.816 1.00 0.00 C ATOM 643 CG LYS A 956 -2.297 15.121 -11.374 1.00 0.00 C ATOM 644 CD LYS A 956 -2.593 16.582 -11.720 1.00 0.00 C ATOM 645 CE LYS A 956 -1.879 16.996 -13.008 1.00 0.00 C ATOM 646 NZ LYS A 956 -2.495 18.218 -13.573 1.00 0.00 N ATOM 0 H LYS A 956 -0.168 15.777 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.917 13.818 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -0.477 15.947 -10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.229 14.542 -11.580 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -2.411 14.502 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -3.021 14.763 -10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -3.668 16.722 -11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.274 17.225 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -0.823 17.175 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.930 16.186 -13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -1.832 18.666 -14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -3.370 17.965 -14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -2.717 18.882 -12.804 1.00 0.00 H new ATOM 660 N GLU A 957 1.187 12.820 -9.591 1.00 0.00 N ATOM 661 CA GLU A 957 2.026 11.644 -9.746 1.00 0.00 C ATOM 662 C GLU A 957 1.584 10.545 -8.779 1.00 0.00 C ATOM 663 O GLU A 957 1.404 9.396 -9.179 1.00 0.00 O ATOM 664 CB GLU A 957 3.502 11.993 -9.541 1.00 0.00 C ATOM 665 CG GLU A 957 4.233 12.093 -10.882 1.00 0.00 C ATOM 666 CD GLU A 957 4.398 13.552 -11.310 1.00 0.00 C ATOM 667 OE1 GLU A 957 5.055 14.296 -10.550 1.00 0.00 O ATOM 668 OE2 GLU A 957 3.863 13.891 -12.388 1.00 0.00 O ATOM 0 H GLU A 957 1.688 13.671 -9.336 1.00 0.00 H new ATOM 0 HA GLU A 957 1.912 11.272 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 957 3.585 12.939 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 957 3.976 11.233 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 957 5.212 11.621 -10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 957 3.677 11.547 -11.645 1.00 0.00 H new ATOM 675 N VAL A 958 1.421 10.936 -7.523 1.00 0.00 N ATOM 676 CA VAL A 958 1.003 9.998 -6.495 1.00 0.00 C ATOM 677 C VAL A 958 -0.233 9.236 -6.978 1.00 0.00 C ATOM 678 O VAL A 958 -0.303 8.015 -6.851 1.00 0.00 O ATOM 679 CB VAL A 958 0.772 10.736 -5.175 1.00 0.00 C ATOM 680 CG1 VAL A 958 0.001 9.861 -4.185 1.00 0.00 C ATOM 681 CG2 VAL A 958 2.096 11.210 -4.573 1.00 0.00 C ATOM 0 H VAL A 958 1.571 11.890 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 958 1.786 9.263 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 958 0.166 11.617 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.150 10.410 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.967 9.596 -4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 958 0.569 8.953 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 958 1.903 11.731 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 958 2.739 10.350 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 958 2.591 11.887 -5.270 1.00 0.00 H new ATOM 691 N GLY A 959 -1.178 9.989 -7.523 1.00 0.00 N ATOM 692 CA GLY A 959 -2.407 9.401 -8.025 1.00 0.00 C ATOM 693 C GLY A 959 -2.112 8.317 -9.065 1.00 0.00 C ATOM 694 O GLY A 959 -2.729 7.253 -9.050 1.00 0.00 O ATOM 0 H GLY A 959 -1.116 11.002 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.973 8.972 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -3.030 10.177 -8.470 1.00 0.00 H new ATOM 698 N LEU A 960 -1.168 8.625 -9.942 1.00 0.00 N ATOM 699 CA LEU A 960 -0.783 7.691 -10.986 1.00 0.00 C ATOM 700 C LEU A 960 -0.275 6.398 -10.346 1.00 0.00 C ATOM 701 O LEU A 960 -0.571 5.305 -10.827 1.00 0.00 O ATOM 702 CB LEU A 960 0.221 8.340 -11.942 1.00 0.00 C ATOM 703 CG LEU A 960 -0.183 8.375 -13.417 1.00 0.00 C ATOM 704 CD1 LEU A 960 0.224 9.699 -14.066 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.384 7.169 -14.169 1.00 0.00 C ATOM 0 H LEU A 960 -0.658 9.508 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.646 7.427 -11.598 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.399 9.363 -11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.169 7.808 -11.858 1.00 0.00 H new ATOM 0 HG LEU A 960 -1.269 8.309 -13.475 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -0.075 9.697 -15.114 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -0.268 10.524 -13.550 1.00 0.00 H new ATOM 0 HD13 LEU A 960 1.305 9.821 -13.997 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.082 7.218 -15.215 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.472 7.179 -14.104 1.00 0.00 H new ATOM 0 HD23 LEU A 960 0.002 6.250 -13.724 1.00 0.00 H new ATOM 717 N ALA A 961 0.481 6.565 -9.271 1.00 0.00 N ATOM 718 CA ALA A 961 1.033 5.424 -8.559 1.00 0.00 C ATOM 719 C ALA A 961 -0.096 4.452 -8.210 1.00 0.00 C ATOM 720 O ALA A 961 0.053 3.241 -8.363 1.00 0.00 O ATOM 721 CB ALA A 961 1.788 5.911 -7.321 1.00 0.00 C ATOM 0 H ALA A 961 0.725 7.473 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 961 1.747 4.889 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.202 5.055 -6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 961 2.597 6.574 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 961 1.104 6.451 -6.666 1.00 0.00 H new ATOM 727 N LEU A 962 -1.200 5.020 -7.746 1.00 0.00 N ATOM 728 CA LEU A 962 -2.353 4.218 -7.373 1.00 0.00 C ATOM 729 C LEU A 962 -2.761 3.338 -8.556 1.00 0.00 C ATOM 730 O LEU A 962 -2.817 2.115 -8.435 1.00 0.00 O ATOM 731 CB LEU A 962 -3.481 5.112 -6.854 1.00 0.00 C ATOM 732 CG LEU A 962 -3.263 5.732 -5.472 1.00 0.00 C ATOM 733 CD1 LEU A 962 -4.406 6.683 -5.112 1.00 0.00 C ATOM 734 CD2 LEU A 962 -3.062 4.649 -4.411 1.00 0.00 C ATOM 0 H LEU A 962 -1.320 6.025 -7.620 1.00 0.00 H new ATOM 0 HA LEU A 962 -2.102 3.549 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -3.639 5.918 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -4.399 4.526 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 962 -2.349 6.325 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -4.227 7.110 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -4.459 7.484 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -5.347 6.134 -5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -2.909 5.117 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.944 4.010 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -2.189 4.048 -4.666 1.00 0.00 H new ATOM 746 N ARG A 963 -3.037 3.995 -9.674 1.00 0.00 N ATOM 747 CA ARG A 963 -3.438 3.287 -10.878 1.00 0.00 C ATOM 748 C ARG A 963 -2.601 2.019 -11.052 1.00 0.00 C ATOM 749 O ARG A 963 -3.140 0.947 -11.322 1.00 0.00 O ATOM 750 CB ARG A 963 -3.277 4.171 -12.116 1.00 0.00 C ATOM 751 CG ARG A 963 -4.130 5.436 -12.002 1.00 0.00 C ATOM 752 CD ARG A 963 -5.117 5.539 -13.167 1.00 0.00 C ATOM 753 NE ARG A 963 -4.700 6.619 -14.089 1.00 0.00 N ATOM 754 CZ ARG A 963 -4.827 7.925 -13.822 1.00 0.00 C ATOM 755 NH1 ARG A 963 -5.360 8.323 -12.658 1.00 0.00 N ATOM 756 NH2 ARG A 963 -4.422 8.835 -14.718 1.00 0.00 N ATOM 0 H ARG A 963 -2.991 5.009 -9.771 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.489 3.020 -10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -2.229 4.445 -12.238 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -3.566 3.612 -13.006 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -4.675 5.427 -11.058 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -3.484 6.314 -11.989 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -5.162 4.590 -13.702 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -6.119 5.739 -12.789 1.00 0.00 H new ATOM 0 HE ARG A 963 -4.290 6.352 -14.984 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -5.669 7.631 -11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -5.457 9.318 -12.455 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -4.017 8.533 -15.604 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -4.519 9.830 -14.514 1.00 0.00 H new ATOM 770 N THR A 964 -1.296 2.183 -10.891 1.00 0.00 N ATOM 771 CA THR A 964 -0.378 1.065 -11.027 1.00 0.00 C ATOM 772 C THR A 964 -0.490 0.132 -9.819 1.00 0.00 C ATOM 773 O THR A 964 -0.634 -1.079 -9.977 1.00 0.00 O ATOM 774 CB THR A 964 1.029 1.629 -11.230 1.00 0.00 C ATOM 775 OG1 THR A 964 0.974 2.246 -12.514 1.00 0.00 O ATOM 776 CG2 THR A 964 2.083 0.532 -11.389 1.00 0.00 C ATOM 0 H THR A 964 -0.852 3.074 -10.667 1.00 0.00 H new ATOM 0 HA THR A 964 -0.627 0.454 -11.895 1.00 0.00 H new ATOM 0 HB THR A 964 1.291 2.263 -10.383 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.846 2.640 -12.725 1.00 0.00 H new ATOM 0 HG21 THR A 964 3.063 0.987 -11.530 1.00 0.00 H new ATOM 0 HG22 THR A 964 2.098 -0.091 -10.495 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.840 -0.083 -12.256 1.00 0.00 H new ATOM 784 N LEU A 965 -0.420 0.733 -8.640 1.00 0.00 N ATOM 785 CA LEU A 965 -0.512 -0.028 -7.406 1.00 0.00 C ATOM 786 C LEU A 965 -1.694 -0.995 -7.495 1.00 0.00 C ATOM 787 O LEU A 965 -1.603 -2.136 -7.045 1.00 0.00 O ATOM 788 CB LEU A 965 -0.575 0.911 -6.200 1.00 0.00 C ATOM 789 CG LEU A 965 -1.262 0.355 -4.952 1.00 0.00 C ATOM 790 CD1 LEU A 965 -0.441 0.653 -3.695 1.00 0.00 C ATOM 791 CD2 LEU A 965 -2.696 0.876 -4.837 1.00 0.00 C ATOM 0 H LEU A 965 -0.301 1.738 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 965 0.384 -0.632 -7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.443 1.196 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.093 1.822 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 965 -1.320 -0.729 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.952 0.247 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 965 0.543 0.193 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -0.329 1.731 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -3.162 0.465 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.684 1.964 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -3.266 0.570 -5.715 1.00 0.00 H new ATOM 803 N LEU A 966 -2.778 -0.503 -8.078 1.00 0.00 N ATOM 804 CA LEU A 966 -3.977 -1.309 -8.231 1.00 0.00 C ATOM 805 C LEU A 966 -3.652 -2.543 -9.075 1.00 0.00 C ATOM 806 O LEU A 966 -3.766 -3.672 -8.599 1.00 0.00 O ATOM 807 CB LEU A 966 -5.122 -0.464 -8.793 1.00 0.00 C ATOM 808 CG LEU A 966 -5.908 0.364 -7.774 1.00 0.00 C ATOM 809 CD1 LEU A 966 -5.312 1.765 -7.629 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.394 0.408 -8.134 1.00 0.00 C ATOM 0 H LEU A 966 -2.850 0.444 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.322 -1.667 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.713 0.213 -9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -5.818 -1.127 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 966 -5.826 -0.123 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.889 2.332 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -4.278 1.688 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -5.343 2.275 -8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -7.930 1.002 -7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.517 0.858 -9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -7.796 -0.605 -8.145 1.00 0.00 H new ATOM 822 N ALA A 967 -3.253 -2.287 -10.312 1.00 0.00 N ATOM 823 CA ALA A 967 -2.910 -3.363 -11.226 1.00 0.00 C ATOM 824 C ALA A 967 -1.930 -4.317 -10.540 1.00 0.00 C ATOM 825 O ALA A 967 -2.198 -5.512 -10.427 1.00 0.00 O ATOM 826 CB ALA A 967 -2.343 -2.774 -12.519 1.00 0.00 C ATOM 0 H ALA A 967 -3.160 -1.350 -10.703 1.00 0.00 H new ATOM 0 HA ALA A 967 -3.797 -3.938 -11.492 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.086 -3.581 -13.204 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.089 -2.128 -12.982 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.450 -2.192 -12.293 1.00 0.00 H new ATOM 832 N THR A 968 -0.815 -3.752 -10.100 1.00 0.00 N ATOM 833 CA THR A 968 0.206 -4.537 -9.428 1.00 0.00 C ATOM 834 C THR A 968 -0.426 -5.434 -8.362 1.00 0.00 C ATOM 835 O THR A 968 -0.120 -6.623 -8.285 1.00 0.00 O ATOM 836 CB THR A 968 1.252 -3.572 -8.867 1.00 0.00 C ATOM 837 OG1 THR A 968 0.506 -2.712 -8.009 1.00 0.00 O ATOM 838 CG2 THR A 968 1.816 -2.634 -9.936 1.00 0.00 C ATOM 0 H THR A 968 -0.597 -2.760 -10.196 1.00 0.00 H new ATOM 0 HA THR A 968 0.705 -5.213 -10.122 1.00 0.00 H new ATOM 0 HB THR A 968 2.066 -4.140 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 968 0.851 -2.783 -7.094 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.554 -1.970 -9.485 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.289 -3.222 -10.723 1.00 0.00 H new ATOM 0 HG23 THR A 968 1.007 -2.041 -10.363 1.00 0.00 H new ATOM 846 N VAL A 969 -1.296 -4.831 -7.566 1.00 0.00 N ATOM 847 CA VAL A 969 -1.974 -5.560 -6.508 1.00 0.00 C ATOM 848 C VAL A 969 -2.729 -6.745 -7.114 1.00 0.00 C ATOM 849 O VAL A 969 -2.741 -7.835 -6.544 1.00 0.00 O ATOM 850 CB VAL A 969 -2.881 -4.614 -5.718 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.840 -5.397 -4.820 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.056 -3.617 -4.902 1.00 0.00 C ATOM 0 H VAL A 969 -1.547 -3.845 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.251 -5.963 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.478 -4.048 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.473 -4.701 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.463 -6.048 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.268 -6.001 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.725 -2.957 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.421 -4.158 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.434 -3.025 -5.573 1.00 0.00 H new ATOM 862 N ASP A 970 -3.340 -6.492 -8.261 1.00 0.00 N ATOM 863 CA ASP A 970 -4.095 -7.524 -8.951 1.00 0.00 C ATOM 864 C ASP A 970 -3.237 -8.785 -9.070 1.00 0.00 C ATOM 865 O ASP A 970 -3.743 -9.899 -8.944 1.00 0.00 O ATOM 866 CB ASP A 970 -4.477 -7.077 -10.363 1.00 0.00 C ATOM 867 CG ASP A 970 -5.709 -7.768 -10.950 1.00 0.00 C ATOM 868 OD1 ASP A 970 -6.552 -8.209 -10.139 1.00 0.00 O ATOM 869 OD2 ASP A 970 -5.781 -7.840 -12.196 1.00 0.00 O ATOM 0 H ASP A 970 -3.328 -5.587 -8.731 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.001 -7.718 -8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -4.653 -6.001 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -3.630 -7.254 -11.025 1.00 0.00 H new ATOM 874 N GLU A 971 -1.952 -8.567 -9.310 1.00 0.00 N ATOM 875 CA GLU A 971 -1.018 -9.671 -9.447 1.00 0.00 C ATOM 876 C GLU A 971 -0.691 -10.263 -8.075 1.00 0.00 C ATOM 877 O GLU A 971 -0.293 -11.422 -7.973 1.00 0.00 O ATOM 878 CB GLU A 971 0.254 -9.227 -10.171 1.00 0.00 C ATOM 879 CG GLU A 971 0.011 -9.094 -11.676 1.00 0.00 C ATOM 880 CD GLU A 971 1.291 -9.378 -12.465 1.00 0.00 C ATOM 881 OE1 GLU A 971 2.371 -9.033 -11.938 1.00 0.00 O ATOM 882 OE2 GLU A 971 1.161 -9.933 -13.577 1.00 0.00 O ATOM 0 H GLU A 971 -1.536 -7.641 -9.413 1.00 0.00 H new ATOM 0 HA GLU A 971 -1.488 -10.446 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.592 -8.272 -9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 971 1.050 -9.949 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -0.772 -9.787 -11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -0.345 -8.089 -11.903 1.00 0.00 H new ATOM 889 N SER A 972 -0.870 -9.439 -7.053 1.00 0.00 N ATOM 890 CA SER A 972 -0.598 -9.866 -5.691 1.00 0.00 C ATOM 891 C SER A 972 -1.821 -10.582 -5.113 1.00 0.00 C ATOM 892 O SER A 972 -1.687 -11.442 -4.244 1.00 0.00 O ATOM 893 CB SER A 972 -0.213 -8.677 -4.807 1.00 0.00 C ATOM 894 OG SER A 972 0.554 -9.079 -3.676 1.00 0.00 O ATOM 0 H SER A 972 -1.200 -8.478 -7.141 1.00 0.00 H new ATOM 0 HA SER A 972 0.245 -10.557 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.358 -7.958 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 972 -1.116 -8.168 -4.470 1.00 0.00 H new ATOM 0 HG SER A 972 0.781 -8.292 -3.138 1.00 0.00 H new ATOM 900 N LEU A 973 -2.984 -10.201 -5.620 1.00 0.00 N ATOM 901 CA LEU A 973 -4.229 -10.797 -5.165 1.00 0.00 C ATOM 902 C LEU A 973 -4.043 -12.308 -5.017 1.00 0.00 C ATOM 903 O LEU A 973 -4.344 -12.874 -3.968 1.00 0.00 O ATOM 904 CB LEU A 973 -5.380 -10.407 -6.095 1.00 0.00 C ATOM 905 CG LEU A 973 -6.601 -9.776 -5.423 1.00 0.00 C ATOM 906 CD1 LEU A 973 -7.894 -10.210 -6.117 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.623 -10.085 -3.925 1.00 0.00 C ATOM 0 H LEU A 973 -3.091 -9.487 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.499 -10.412 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -4.998 -9.708 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.705 -11.298 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.527 -8.694 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -8.747 -9.748 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -7.869 -9.897 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -7.988 -11.295 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.501 -9.625 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.661 -11.164 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -5.722 -9.686 -3.458 1.00 0.00 H new ATOM 919 N PRO A 974 -3.534 -12.934 -6.112 1.00 0.00 N ATOM 920 CA PRO A 974 -3.303 -14.369 -6.114 1.00 0.00 C ATOM 921 C PRO A 974 -2.064 -14.726 -5.290 1.00 0.00 C ATOM 922 O PRO A 974 -2.024 -15.773 -4.645 1.00 0.00 O ATOM 923 CB PRO A 974 -3.170 -14.744 -7.581 1.00 0.00 C ATOM 924 CG PRO A 974 -2.867 -13.449 -8.316 1.00 0.00 C ATOM 925 CD PRO A 974 -3.165 -12.296 -7.372 1.00 0.00 C ATOM 0 HA PRO A 974 -4.115 -14.927 -5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.372 -15.472 -7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.088 -15.199 -7.953 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -1.824 -13.424 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.474 -13.371 -9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.296 -11.650 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -3.974 -11.672 -7.752 1.00 0.00 H new ATOM 933 N VAL A 975 -1.084 -13.837 -5.340 1.00 0.00 N ATOM 934 CA VAL A 975 0.154 -14.045 -4.606 1.00 0.00 C ATOM 935 C VAL A 975 -0.174 -14.470 -3.173 1.00 0.00 C ATOM 936 O VAL A 975 0.592 -15.204 -2.550 1.00 0.00 O ATOM 937 CB VAL A 975 1.020 -12.786 -4.673 1.00 0.00 C ATOM 938 CG1 VAL A 975 2.123 -12.823 -3.614 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.610 -12.601 -6.073 1.00 0.00 C ATOM 0 H VAL A 975 -1.121 -12.971 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 975 0.736 -14.848 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 975 0.382 -11.928 -4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.724 -11.916 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.674 -12.886 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.758 -13.693 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 975 2.221 -11.699 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 975 2.227 -13.464 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.802 -12.509 -6.799 1.00 0.00 H new ATOM 949 N LEU A 976 -1.311 -13.991 -2.693 1.00 0.00 N ATOM 950 CA LEU A 976 -1.749 -14.311 -1.345 1.00 0.00 C ATOM 951 C LEU A 976 -2.975 -15.224 -1.415 1.00 0.00 C ATOM 952 O LEU A 976 -3.673 -15.255 -2.428 1.00 0.00 O ATOM 953 CB LEU A 976 -1.980 -13.032 -0.538 1.00 0.00 C ATOM 954 CG LEU A 976 -0.821 -12.033 -0.518 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.495 -12.727 -0.162 1.00 0.00 C ATOM 956 CD2 LEU A 976 -0.729 -11.275 -1.844 1.00 0.00 C ATOM 0 H LEU A 976 -1.943 -13.383 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 976 -0.972 -14.860 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.861 -12.529 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.211 -13.311 0.490 1.00 0.00 H new ATOM 0 HG LEU A 976 -1.017 -11.297 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.302 -11.995 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.410 -13.184 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.711 -13.498 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 976 0.103 -10.571 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -0.567 -11.983 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -1.657 -10.730 -2.017 1.00 0.00 H new ATOM 968 N PRO A 977 -3.206 -15.964 -0.298 1.00 0.00 N ATOM 969 CA PRO A 977 -4.335 -16.875 -0.223 1.00 0.00 C ATOM 970 C PRO A 977 -5.645 -16.109 -0.028 1.00 0.00 C ATOM 971 O PRO A 977 -5.633 -14.907 0.235 1.00 0.00 O ATOM 972 CB PRO A 977 -4.014 -17.806 0.935 1.00 0.00 C ATOM 973 CG PRO A 977 -2.949 -17.098 1.756 1.00 0.00 C ATOM 974 CD PRO A 977 -2.400 -15.953 0.920 1.00 0.00 C ATOM 0 HA PRO A 977 -4.480 -17.441 -1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.902 -18.004 1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.653 -18.769 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.372 -16.722 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -2.152 -17.791 2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.488 -15.002 1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.343 -16.097 0.697 1.00 0.00 H new ATOM 982 N ALA A 978 -6.744 -16.836 -0.164 1.00 0.00 N ATOM 983 CA ALA A 978 -8.060 -16.240 -0.007 1.00 0.00 C ATOM 984 C ALA A 978 -8.310 -15.951 1.475 1.00 0.00 C ATOM 985 O ALA A 978 -9.285 -16.432 2.049 1.00 0.00 O ATOM 986 CB ALA A 978 -9.117 -17.170 -0.605 1.00 0.00 C ATOM 0 H ALA A 978 -6.750 -17.833 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.119 -15.293 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -10.104 -16.723 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -8.911 -17.321 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -9.090 -18.130 -0.090 1.00 0.00 H new ATOM 992 N SER A 979 -7.412 -15.166 2.051 1.00 0.00 N ATOM 993 CA SER A 979 -7.522 -14.806 3.455 1.00 0.00 C ATOM 994 C SER A 979 -7.558 -13.284 3.604 1.00 0.00 C ATOM 995 O SER A 979 -8.176 -12.762 4.531 1.00 0.00 O ATOM 996 CB SER A 979 -6.365 -15.393 4.266 1.00 0.00 C ATOM 997 OG SER A 979 -6.674 -15.472 5.655 1.00 0.00 O ATOM 0 H SER A 979 -6.604 -14.769 1.571 1.00 0.00 H new ATOM 0 HA SER A 979 -8.451 -15.224 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 979 -6.127 -16.388 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 979 -5.476 -14.778 4.127 1.00 0.00 H new ATOM 0 HG SER A 979 -7.240 -14.713 5.908 1.00 0.00 H new ATOM 1003 N THR A 980 -6.887 -12.615 2.679 1.00 0.00 N ATOM 1004 CA THR A 980 -6.834 -11.163 2.696 1.00 0.00 C ATOM 1005 C THR A 980 -7.507 -10.590 1.447 1.00 0.00 C ATOM 1006 O THR A 980 -7.314 -9.421 1.114 1.00 0.00 O ATOM 1007 CB THR A 980 -5.370 -10.745 2.843 1.00 0.00 C ATOM 1008 OG1 THR A 980 -5.349 -9.390 2.402 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.451 -11.471 1.858 1.00 0.00 C ATOM 0 H THR A 980 -6.375 -13.051 1.912 1.00 0.00 H new ATOM 0 HA THR A 980 -7.389 -10.757 3.541 1.00 0.00 H new ATOM 0 HB THR A 980 -5.038 -10.942 3.862 1.00 0.00 H new ATOM 0 HG1 THR A 980 -6.266 -9.047 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.424 -11.137 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.511 -12.546 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.762 -11.248 0.838 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.282 -11.439 0.789 1.00 0.00 N ATOM 1018 CA HIS A 981 -8.985 -11.032 -0.416 1.00 0.00 C ATOM 1019 C HIS A 981 -9.707 -9.707 -0.166 1.00 0.00 C ATOM 1020 O HIS A 981 -9.106 -8.638 -0.272 1.00 0.00 O ATOM 1021 CB HIS A 981 -9.926 -12.138 -0.896 1.00 0.00 C ATOM 1022 CG HIS A 981 -9.311 -13.068 -1.916 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -10.044 -13.655 -2.932 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -8.028 -13.504 -2.064 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -9.228 -14.409 -3.654 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -7.979 -14.315 -3.114 1.00 0.00 N ATOM 0 H HIS A 981 -8.439 -12.408 1.067 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.269 -10.870 -1.221 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.251 -12.723 -0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -10.817 -11.681 -1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -7.193 -13.235 -1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -9.503 -14.995 -4.518 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -7.145 -14.789 -3.460 1.00 0.00 H new ATOM 1034 N ARG A 982 -10.986 -9.819 0.162 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.796 -8.643 0.428 1.00 0.00 C ATOM 1036 C ARG A 982 -10.969 -7.583 1.158 1.00 0.00 C ATOM 1037 O ARG A 982 -11.014 -6.404 0.807 1.00 0.00 O ATOM 1038 CB ARG A 982 -13.021 -8.997 1.274 1.00 0.00 C ATOM 1039 CG ARG A 982 -12.749 -10.227 2.143 1.00 0.00 C ATOM 1040 CD ARG A 982 -13.638 -10.224 3.389 1.00 0.00 C ATOM 1041 NE ARG A 982 -13.744 -11.595 3.937 1.00 0.00 N ATOM 1042 CZ ARG A 982 -14.406 -11.906 5.059 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -15.025 -10.945 5.760 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -14.449 -13.177 5.482 1.00 0.00 N ATOM 0 H ARG A 982 -11.481 -10.707 0.250 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.133 -8.249 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -13.287 -8.151 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -13.874 -9.188 0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -12.930 -11.133 1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -11.700 -10.243 2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -13.222 -9.554 4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -14.629 -9.846 3.138 1.00 0.00 H new ATOM 0 HE ARG A 982 -13.284 -12.350 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -14.992 -9.978 5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -15.529 -11.182 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -13.977 -13.908 4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -14.953 -13.413 6.337 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.234 -8.039 2.161 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.398 -7.145 2.944 1.00 0.00 C ATOM 1060 C GLU A 983 -8.514 -6.302 2.023 1.00 0.00 C ATOM 1061 O GLU A 983 -8.514 -5.075 2.110 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.553 -7.927 3.952 1.00 0.00 C ATOM 1063 CG GLU A 983 -9.135 -7.813 5.362 1.00 0.00 C ATOM 1064 CD GLU A 983 -9.018 -9.141 6.112 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -8.159 -9.951 5.702 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -9.791 -9.317 7.079 1.00 0.00 O ATOM 0 H GLU A 983 -10.200 -9.017 2.450 1.00 0.00 H new ATOM 0 HA GLU A 983 -10.046 -6.473 3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -8.507 -8.975 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.531 -7.549 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -8.611 -7.032 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -10.182 -7.515 5.304 1.00 0.00 H new ATOM 1073 N ILE A 984 -7.783 -6.994 1.162 1.00 0.00 N ATOM 1074 CA ILE A 984 -6.896 -6.324 0.226 1.00 0.00 C ATOM 1075 C ILE A 984 -7.715 -5.385 -0.663 1.00 0.00 C ATOM 1076 O ILE A 984 -7.254 -4.301 -1.018 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.071 -7.347 -0.557 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -4.732 -7.614 0.133 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -5.889 -6.909 -2.011 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.259 -9.047 -0.124 1.00 0.00 C ATOM 0 H ILE A 984 -7.787 -8.012 1.093 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.173 -5.708 0.761 1.00 0.00 H new ATOM 0 HB ILE A 984 -6.620 -8.289 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -3.984 -6.910 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -4.832 -7.447 1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.299 -7.654 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -6.865 -6.811 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.373 -5.949 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.305 -9.211 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -4.998 -9.749 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.137 -9.203 -1.196 1.00 0.00 H new ATOM 1092 N GLU A 985 -8.916 -5.836 -0.997 1.00 0.00 N ATOM 1093 CA GLU A 985 -9.803 -5.050 -1.838 1.00 0.00 C ATOM 1094 C GLU A 985 -10.223 -3.769 -1.114 1.00 0.00 C ATOM 1095 O GLU A 985 -10.264 -2.697 -1.715 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.025 -5.868 -2.260 1.00 0.00 C ATOM 1097 CG GLU A 985 -11.344 -5.653 -3.741 1.00 0.00 C ATOM 1098 CD GLU A 985 -12.437 -4.597 -3.919 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.342 -4.566 -3.057 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -12.342 -3.845 -4.912 1.00 0.00 O ATOM 0 H GLU A 985 -9.295 -6.735 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.263 -4.772 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -10.841 -6.926 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -11.885 -5.583 -1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -10.443 -5.341 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -11.666 -6.594 -4.188 1.00 0.00 H new ATOM 1107 N MET A 986 -10.525 -3.923 0.167 1.00 0.00 N ATOM 1108 CA MET A 986 -10.941 -2.792 0.979 1.00 0.00 C ATOM 1109 C MET A 986 -9.747 -1.905 1.335 1.00 0.00 C ATOM 1110 O MET A 986 -9.906 -0.707 1.565 1.00 0.00 O ATOM 1111 CB MET A 986 -11.601 -3.300 2.262 1.00 0.00 C ATOM 1112 CG MET A 986 -13.102 -3.515 2.059 1.00 0.00 C ATOM 1113 SD MET A 986 -13.515 -5.231 2.328 1.00 0.00 S ATOM 1114 CE MET A 986 -14.396 -5.578 0.815 1.00 0.00 C ATOM 0 H MET A 986 -10.490 -4.814 0.663 1.00 0.00 H new ATOM 0 HA MET A 986 -11.652 -2.198 0.405 1.00 0.00 H new ATOM 0 HB2 MET A 986 -11.134 -4.236 2.569 1.00 0.00 H new ATOM 0 HB3 MET A 986 -11.438 -2.583 3.067 1.00 0.00 H new ATOM 0 HG2 MET A 986 -13.664 -2.885 2.748 1.00 0.00 H new ATOM 0 HG3 MET A 986 -13.387 -3.218 1.050 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.728 -6.616 0.817 1.00 0.00 H new ATOM 0 HE2 MET A 986 -15.262 -4.921 0.739 1.00 0.00 H new ATOM 0 HE3 MET A 986 -13.737 -5.409 -0.037 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.577 -2.527 1.369 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.357 -1.808 1.693 1.00 0.00 C ATOM 1126 C ALA A 987 -6.935 -0.960 0.492 1.00 0.00 C ATOM 1127 O ALA A 987 -6.191 0.008 0.641 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.274 -2.804 2.113 1.00 0.00 C ATOM 0 H ALA A 987 -8.449 -3.521 1.177 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.521 -1.132 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.358 -2.265 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.611 -3.360 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.080 -3.497 1.295 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.428 -1.355 -0.673 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.111 -0.643 -1.900 1.00 0.00 C ATOM 1136 C GLN A 988 -7.931 0.645 -1.993 1.00 0.00 C ATOM 1137 O GLN A 988 -7.388 1.711 -2.279 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.344 -1.531 -3.124 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.197 -2.527 -3.305 1.00 0.00 C ATOM 1140 CD GLN A 988 -5.521 -2.344 -4.665 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -4.457 -1.759 -4.785 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -6.196 -2.875 -5.681 1.00 0.00 N ATOM 0 H GLN A 988 -8.044 -2.159 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.054 -0.377 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.285 -2.070 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -7.436 -0.911 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -5.464 -2.392 -2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -6.577 -3.545 -3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -7.082 -3.352 -5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -5.828 -2.805 -6.630 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.225 0.505 -1.745 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.125 1.644 -1.797 1.00 0.00 C ATOM 1153 C LYS A 989 -9.769 2.622 -0.675 1.00 0.00 C ATOM 1154 O LYS A 989 -9.910 3.833 -0.835 1.00 0.00 O ATOM 1155 CB LYS A 989 -11.582 1.178 -1.767 1.00 0.00 C ATOM 1156 CG LYS A 989 -12.540 2.367 -1.858 1.00 0.00 C ATOM 1157 CD LYS A 989 -13.530 2.364 -0.691 1.00 0.00 C ATOM 1158 CE LYS A 989 -14.901 2.878 -1.134 1.00 0.00 C ATOM 1159 NZ LYS A 989 -14.919 4.358 -1.152 1.00 0.00 N ATOM 0 H LYS A 989 -9.672 -0.381 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.006 2.181 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -11.766 0.494 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -11.771 0.623 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -11.972 3.297 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -13.084 2.329 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -13.627 1.353 -0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -13.147 2.988 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.137 2.494 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.671 2.507 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -15.857 4.690 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -14.715 4.719 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -14.198 4.706 -1.816 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.314 2.059 0.435 1.00 0.00 N ATOM 1174 CA LEU A 990 -8.937 2.866 1.583 1.00 0.00 C ATOM 1175 C LEU A 990 -7.871 3.879 1.160 1.00 0.00 C ATOM 1176 O LEU A 990 -8.113 5.084 1.180 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.509 1.972 2.748 1.00 0.00 C ATOM 1178 CG LEU A 990 -8.943 2.432 4.141 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -8.617 1.372 5.195 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.329 3.791 4.486 1.00 0.00 C ATOM 0 H LEU A 990 -9.198 1.054 0.564 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.792 3.436 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -8.906 0.971 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -7.422 1.890 2.737 1.00 0.00 H new ATOM 0 HG LEU A 990 -10.026 2.559 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.936 1.724 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -9.140 0.447 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -7.543 1.189 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.654 4.095 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.242 3.715 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.654 4.533 3.756 1.00 0.00 H new ATOM 1192 N LEU A 991 -6.714 3.351 0.788 1.00 0.00 N ATOM 1193 CA LEU A 991 -5.610 4.194 0.362 1.00 0.00 C ATOM 1194 C LEU A 991 -6.132 5.263 -0.601 1.00 0.00 C ATOM 1195 O LEU A 991 -5.821 6.443 -0.451 1.00 0.00 O ATOM 1196 CB LEU A 991 -4.479 3.343 -0.219 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.672 3.982 -1.352 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -2.987 5.266 -0.880 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -2.675 2.985 -1.945 1.00 0.00 C ATOM 0 H LEU A 991 -6.517 2.350 0.773 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.179 4.716 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -3.793 3.086 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -4.905 2.409 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 991 -4.362 4.259 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.420 5.700 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.741 5.978 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.311 5.036 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -2.115 3.464 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -1.985 2.655 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.213 2.125 -2.342 1.00 0.00 H new ATOM 1211 N ASN A 992 -6.917 4.810 -1.568 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.485 5.713 -2.554 1.00 0.00 C ATOM 1213 C ASN A 992 -8.288 6.802 -1.840 1.00 0.00 C ATOM 1214 O ASN A 992 -8.011 7.989 -2.002 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.432 4.970 -3.499 1.00 0.00 C ATOM 1216 CG ASN A 992 -8.058 5.224 -4.961 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -6.913 5.108 -5.365 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -9.086 5.576 -5.729 1.00 0.00 N ATOM 0 H ASN A 992 -7.173 3.830 -1.689 1.00 0.00 H new ATOM 0 HA ASN A 992 -6.665 6.144 -3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.394 3.901 -3.291 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.457 5.294 -3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -8.940 5.767 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -10.020 5.655 -5.326 1.00 0.00 H new ATOM 1225 N SER A 993 -9.267 6.359 -1.066 1.00 0.00 N ATOM 1226 CA SER A 993 -10.112 7.281 -0.326 1.00 0.00 C ATOM 1227 C SER A 993 -9.269 8.427 0.237 1.00 0.00 C ATOM 1228 O SER A 993 -9.456 9.583 -0.139 1.00 0.00 O ATOM 1229 CB SER A 993 -10.854 6.564 0.803 1.00 0.00 C ATOM 1230 OG SER A 993 -12.204 7.005 0.920 1.00 0.00 O ATOM 0 H SER A 993 -9.494 5.373 -0.935 1.00 0.00 H new ATOM 0 HA SER A 993 -10.855 7.688 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 993 -10.838 5.489 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 993 -10.334 6.736 1.745 1.00 0.00 H new ATOM 0 HG SER A 993 -12.644 6.522 1.651 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.358 8.066 1.128 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.485 9.050 1.747 1.00 0.00 C ATOM 1238 C ASP A 994 -6.827 9.898 0.657 1.00 0.00 C ATOM 1239 O ASP A 994 -6.950 11.122 0.659 1.00 0.00 O ATOM 1240 CB ASP A 994 -6.376 8.372 2.553 1.00 0.00 C ATOM 1241 CG ASP A 994 -6.746 8.021 3.996 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.928 7.674 4.210 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -5.840 8.108 4.852 1.00 0.00 O ATOM 0 H ASP A 994 -8.205 7.106 1.437 1.00 0.00 H new ATOM 0 HA ASP A 994 -8.089 9.666 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -6.080 7.458 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.505 9.027 2.566 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.142 9.214 -0.248 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.464 9.889 -1.341 1.00 0.00 C ATOM 1250 C LEU A 995 -6.414 10.911 -1.971 1.00 0.00 C ATOM 1251 O LEU A 995 -6.075 12.087 -2.090 1.00 0.00 O ATOM 1252 CB LEU A 995 -4.908 8.870 -2.338 1.00 0.00 C ATOM 1253 CG LEU A 995 -3.469 9.102 -2.801 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -2.729 7.774 -2.976 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -3.432 9.951 -4.074 1.00 0.00 C ATOM 0 H LEU A 995 -6.042 8.199 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.600 10.441 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.968 7.880 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -5.554 8.860 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 995 -2.947 9.662 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -1.708 7.967 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -2.709 7.241 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.242 7.167 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -2.397 10.101 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -3.976 9.440 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -3.896 10.918 -3.880 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.583 10.424 -2.358 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.584 11.279 -2.972 1.00 0.00 C ATOM 1269 C ALA A 996 -8.731 12.559 -2.147 1.00 0.00 C ATOM 1270 O ALA A 996 -8.936 13.639 -2.700 1.00 0.00 O ATOM 1271 CB ALA A 996 -9.902 10.513 -3.100 1.00 0.00 C ATOM 0 H ALA A 996 -7.860 9.447 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.277 11.568 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.653 11.155 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -9.751 9.629 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.243 10.208 -2.111 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.621 12.396 -0.836 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.739 13.525 0.071 1.00 0.00 C ATOM 1279 C GLU A 997 -7.480 14.393 0.004 1.00 0.00 C ATOM 1280 O GLU A 997 -7.548 15.606 0.197 1.00 0.00 O ATOM 1281 CB GLU A 997 -9.004 13.053 1.502 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.685 14.149 2.323 1.00 0.00 C ATOM 1283 CD GLU A 997 -11.119 14.382 1.844 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.283 15.220 0.931 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -12.019 13.717 2.401 1.00 0.00 O ATOM 0 H GLU A 997 -8.451 11.499 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.591 14.130 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.633 12.163 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -8.064 12.770 1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -9.691 13.869 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -9.116 15.075 2.243 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.362 13.738 -0.270 1.00 0.00 N ATOM 1293 CA LEU A 998 -5.090 14.435 -0.364 1.00 0.00 C ATOM 1294 C LEU A 998 -5.031 15.202 -1.686 1.00 0.00 C ATOM 1295 O LEU A 998 -4.542 16.329 -1.733 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.929 13.459 -0.167 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.627 14.064 0.364 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.903 13.082 1.287 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -1.734 14.537 -0.785 1.00 0.00 C ATOM 0 H LEU A 998 -6.310 12.732 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.998 15.170 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.250 12.677 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.720 12.977 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.876 14.942 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.981 13.536 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -2.545 12.837 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -1.666 12.172 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.816 14.963 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -1.490 13.691 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.260 15.295 -1.366 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.537 14.560 -2.729 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.548 15.168 -4.049 1.00 0.00 C ATOM 1313 C ILE A 999 -6.231 16.535 -3.970 1.00 0.00 C ATOM 1314 O ILE A 999 -5.733 17.514 -4.523 1.00 0.00 O ATOM 1315 CB ILE A 999 -6.182 14.221 -5.070 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.389 12.917 -5.176 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.342 14.907 -6.428 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.934 13.191 -5.562 1.00 0.00 C ATOM 0 H ILE A 999 -5.942 13.625 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.530 15.340 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 999 -7.181 13.962 -4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -5.423 12.388 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.850 12.266 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.795 14.212 -7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.981 15.783 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.364 15.215 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.392 12.248 -5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -3.903 13.699 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.469 13.822 -4.805 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.361 16.557 -3.279 1.00 0.00 N ATOM 1331 CA ASN A1000 -8.117 17.788 -3.121 1.00 0.00 C ATOM 1332 C ASN A1000 -7.264 18.813 -2.372 1.00 0.00 C ATOM 1333 O ASN A1000 -7.045 19.920 -2.862 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.392 17.550 -2.310 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.364 18.723 -2.459 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.712 19.139 -3.551 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -10.780 19.231 -1.302 1.00 0.00 N ATOM 0 H ASN A1000 -7.771 15.743 -2.822 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.383 18.150 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.873 16.630 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.138 17.414 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -11.430 20.017 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -10.449 18.834 -0.422 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.806 18.409 -1.197 1.00 0.00 N ATOM 1345 CA LYS A1001 -5.982 19.279 -0.375 1.00 0.00 C ATOM 1346 C LYS A1001 -4.958 19.990 -1.262 1.00 0.00 C ATOM 1347 O LYS A1001 -4.767 21.200 -1.147 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.355 18.491 0.777 1.00 0.00 C ATOM 1349 CG LYS A1001 -6.426 18.016 1.762 1.00 0.00 C ATOM 1350 CD LYS A1001 -6.793 19.124 2.751 1.00 0.00 C ATOM 1351 CE LYS A1001 -8.294 19.417 2.714 1.00 0.00 C ATOM 1352 NZ LYS A1001 -8.943 18.953 3.961 1.00 0.00 N ATOM 0 H LYS A1001 -6.990 17.490 -0.794 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.592 20.052 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -4.812 17.632 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.629 19.116 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -7.315 17.703 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.063 17.144 2.306 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -6.501 18.828 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -6.236 20.030 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -8.459 20.487 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -8.746 18.921 1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -9.961 19.159 3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -8.801 17.928 4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -8.523 19.445 4.775 1.00 0.00 H new ATOM 1366 N MET A1002 -4.326 19.209 -2.126 1.00 0.00 N ATOM 1367 CA MET A1002 -3.327 19.750 -3.031 1.00 0.00 C ATOM 1368 C MET A1002 -3.955 20.744 -4.011 1.00 0.00 C ATOM 1369 O MET A1002 -3.337 21.747 -4.364 1.00 0.00 O ATOM 1370 CB MET A1002 -2.673 18.607 -3.811 1.00 0.00 C ATOM 1371 CG MET A1002 -1.889 19.141 -5.012 1.00 0.00 C ATOM 1372 SD MET A1002 -2.664 18.612 -6.531 1.00 0.00 S ATOM 1373 CE MET A1002 -2.697 20.160 -7.418 1.00 0.00 C ATOM 0 H MET A1002 -4.487 18.206 -2.218 1.00 0.00 H new ATOM 0 HA MET A1002 -2.576 20.276 -2.441 1.00 0.00 H new ATOM 0 HB2 MET A1002 -2.005 18.050 -3.155 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.439 17.910 -4.153 1.00 0.00 H new ATOM 0 HG2 MET A1002 -1.848 20.230 -4.975 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.861 18.782 -4.974 1.00 0.00 H new ATOM 0 HE1 MET A1002 -2.595 19.969 -8.486 1.00 0.00 H new ATOM 0 HE2 MET A1002 -3.643 20.668 -7.228 1.00 0.00 H new ATOM 0 HE3 MET A1002 -1.873 20.790 -7.082 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.174 20.429 -4.423 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.892 21.282 -5.354 1.00 0.00 C ATOM 1385 C LYS A1003 -6.176 22.631 -4.691 1.00 0.00 C ATOM 1386 O LYS A1003 -6.401 23.628 -5.374 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.147 20.575 -5.870 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.965 20.121 -7.320 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.317 19.967 -8.020 1.00 0.00 C ATOM 1390 CE LYS A1003 -8.897 21.331 -8.397 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.311 21.344 -9.818 1.00 0.00 N ATOM 0 H LYS A1003 -5.682 19.595 -4.129 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.281 21.482 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.368 19.713 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -8.002 21.248 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.353 20.846 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.429 19.172 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.199 19.358 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -9.012 19.441 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -9.753 21.557 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -8.155 22.109 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -9.702 22.277 -10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -8.487 21.149 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -10.035 20.614 -9.975 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.155 22.618 -3.366 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.406 23.828 -2.602 1.00 0.00 C ATOM 1407 C LEU A1004 -5.095 24.597 -2.425 1.00 0.00 C ATOM 1408 O LEU A1004 -5.050 25.809 -2.625 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.106 23.494 -1.283 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.294 22.534 -1.378 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -8.844 22.203 0.010 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.376 23.092 -2.306 1.00 0.00 C ATOM 0 H LEU A1004 -5.968 21.789 -2.802 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.089 24.483 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.371 23.064 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.451 24.424 -0.832 1.00 0.00 H new ATOM 0 HG LEU A1004 -7.944 21.599 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -9.687 21.519 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -8.063 21.734 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.174 23.120 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.209 22.391 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -9.729 24.048 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -8.961 23.235 -3.304 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.060 23.859 -2.051 1.00 0.00 N ATOM 1425 CA ALA A1005 -2.751 24.455 -1.845 1.00 0.00 C ATOM 1426 C ALA A1005 -2.283 25.109 -3.146 1.00 0.00 C ATOM 1427 O ALA A1005 -1.345 25.905 -3.143 1.00 0.00 O ATOM 1428 CB ALA A1005 -1.776 23.388 -1.345 1.00 0.00 C ATOM 0 H ALA A1005 -4.102 22.853 -1.885 1.00 0.00 H new ATOM 0 HA ALA A1005 -2.800 25.233 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -0.794 23.836 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.139 22.976 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -1.699 22.591 -2.084 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.957 24.748 -4.229 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.621 25.290 -5.534 1.00 0.00 C ATOM 1436 C GLN A1006 -3.052 26.755 -5.628 1.00 0.00 C ATOM 1437 O GLN A1006 -2.410 27.552 -6.312 1.00 0.00 O ATOM 1438 CB GLN A1006 -3.255 24.459 -6.652 1.00 0.00 C ATOM 1439 CG GLN A1006 -2.193 23.953 -7.629 1.00 0.00 C ATOM 1440 CD GLN A1006 -1.976 24.950 -8.769 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -0.875 25.410 -9.025 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -3.084 25.258 -9.437 1.00 0.00 N ATOM 0 H GLN A1006 -3.734 24.087 -4.229 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.539 25.242 -5.658 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -3.791 23.613 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -3.988 25.062 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.254 23.791 -7.099 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -2.499 22.990 -8.037 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -3.974 24.837 -9.171 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -3.044 25.916 -10.216 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.135 27.066 -4.932 1.00 0.00 N ATOM 1452 CA GLN A1007 -4.659 28.421 -4.928 1.00 0.00 C ATOM 1453 C GLN A1007 -4.387 29.092 -3.580 1.00 0.00 C ATOM 1454 O GLN A1007 -4.349 30.318 -3.489 1.00 0.00 O ATOM 1455 CB GLN A1007 -6.154 28.432 -5.254 1.00 0.00 C ATOM 1456 CG GLN A1007 -6.613 29.829 -5.679 1.00 0.00 C ATOM 1457 CD GLN A1007 -7.617 30.404 -4.678 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -7.289 30.737 -3.551 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -8.856 30.501 -5.151 1.00 0.00 N ATOM 0 H GLN A1007 -4.664 26.402 -4.366 1.00 0.00 H new ATOM 0 HA GLN A1007 -4.147 28.989 -5.704 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.361 27.719 -6.052 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -6.722 28.108 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -5.751 30.491 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -7.067 29.781 -6.669 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -9.063 30.204 -6.105 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -9.600 30.872 -4.560 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.203 28.258 -2.567 1.00 0.00 N ATOM 1469 CA TYR A1008 -3.936 28.755 -1.228 1.00 0.00 C ATOM 1470 C TYR A1008 -2.441 29.015 -1.029 1.00 0.00 C ATOM 1471 O TYR A1008 -2.010 29.370 0.067 1.00 0.00 O ATOM 1472 CB TYR A1008 -4.380 27.648 -0.270 1.00 0.00 C ATOM 1473 CG TYR A1008 -5.837 27.765 0.182 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -6.201 28.736 1.093 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -6.788 26.900 -0.320 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -7.572 28.846 1.520 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.159 27.010 0.106 1.00 0.00 C ATOM 1478 CZ TYR A1008 -8.483 27.978 1.005 1.00 0.00 C ATOM 1479 OH TYR A1008 -9.778 28.082 1.408 1.00 0.00 O ATOM 0 H TYR A1008 -4.234 27.242 -2.647 1.00 0.00 H new ATOM 0 HA TYR A1008 -4.463 29.693 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.237 26.682 -0.755 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -3.735 27.662 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -5.457 29.414 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.504 26.140 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -7.870 29.601 2.233 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -8.913 26.339 -0.279 1.00 0.00 H new ATOM 0 HH TYR A1008 -10.317 27.398 0.958 1.00 0.00 H new ATOM 1489 N VAL A1009 -1.692 28.828 -2.105 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.255 29.039 -2.063 1.00 0.00 C ATOM 1491 C VAL A1009 0.041 30.535 -2.174 1.00 0.00 C ATOM 1492 O VAL A1009 0.925 31.050 -1.491 1.00 0.00 O ATOM 1493 CB VAL A1009 0.428 28.211 -3.154 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.328 28.321 -4.479 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.891 28.625 -3.321 1.00 0.00 C ATOM 0 H VAL A1009 -2.053 28.532 -3.012 1.00 0.00 H new ATOM 0 HA VAL A1009 0.153 28.698 -1.112 1.00 0.00 H new ATOM 0 HB VAL A1009 0.409 27.166 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A1009 0.178 27.724 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.346 27.955 -4.348 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.355 29.363 -4.797 1.00 0.00 H new ATOM 0 HG21 VAL A1009 2.353 28.021 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A1009 1.942 29.678 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A1009 2.422 28.471 -2.382 1.00 0.00 H new ATOM 1505 N MET A1010 -0.715 31.192 -3.042 1.00 0.00 N ATOM 1506 CA MET A1010 -0.545 32.620 -3.252 1.00 0.00 C ATOM 1507 C MET A1010 -0.569 33.377 -1.922 1.00 0.00 C ATOM 1508 O MET A1010 -0.094 34.508 -1.839 1.00 0.00 O ATOM 1509 CB MET A1010 -1.664 33.140 -4.156 1.00 0.00 C ATOM 1510 CG MET A1010 -3.011 32.527 -3.769 1.00 0.00 C ATOM 1511 SD MET A1010 -4.166 33.815 -3.330 1.00 0.00 S ATOM 1512 CE MET A1010 -5.013 33.024 -1.972 1.00 0.00 C ATOM 0 H MET A1010 -1.447 30.762 -3.608 1.00 0.00 H new ATOM 0 HA MET A1010 0.423 32.786 -3.725 1.00 0.00 H new ATOM 0 HB2 MET A1010 -1.720 34.226 -4.083 1.00 0.00 H new ATOM 0 HB3 MET A1010 -1.437 32.902 -5.195 1.00 0.00 H new ATOM 0 HG2 MET A1010 -3.405 31.942 -4.600 1.00 0.00 H new ATOM 0 HG3 MET A1010 -2.881 31.843 -2.930 1.00 0.00 H new ATOM 0 HE1 MET A1010 -6.072 32.924 -2.212 1.00 0.00 H new ATOM 0 HE2 MET A1010 -4.585 32.036 -1.802 1.00 0.00 H new ATOM 0 HE3 MET A1010 -4.901 33.628 -1.072 1.00 0.00 H new ATOM 1522 N THR A1011 -1.128 32.722 -0.915 1.00 0.00 N ATOM 1523 CA THR A1011 -1.221 33.318 0.406 1.00 0.00 C ATOM 1524 C THR A1011 -0.375 32.530 1.408 1.00 0.00 C ATOM 1525 O THR A1011 0.304 31.575 1.036 1.00 0.00 O ATOM 1526 CB THR A1011 -2.701 33.394 0.788 1.00 0.00 C ATOM 1527 OG1 THR A1011 -2.685 33.687 2.183 1.00 0.00 O ATOM 1528 CG2 THR A1011 -3.398 32.035 0.701 1.00 0.00 C ATOM 0 H THR A1011 -1.521 31.784 -0.988 1.00 0.00 H new ATOM 0 HA THR A1011 -0.816 34.330 0.412 1.00 0.00 H new ATOM 0 HB THR A1011 -3.208 34.105 0.136 1.00 0.00 H new ATOM 0 HG1 THR A1011 -3.605 33.756 2.513 1.00 0.00 H new ATOM 0 HG21 THR A1011 -4.445 32.145 0.982 1.00 0.00 H new ATOM 0 HG22 THR A1011 -3.334 31.658 -0.320 1.00 0.00 H new ATOM 0 HG23 THR A1011 -2.912 31.333 1.379 1.00 0.00 H new ATOM 1536 N SER A1012 -0.443 32.960 2.659 1.00 0.00 N ATOM 1537 CA SER A1012 0.309 32.307 3.717 1.00 0.00 C ATOM 1538 C SER A1012 -0.525 31.181 4.333 1.00 0.00 C ATOM 1539 O SER A1012 -0.231 30.717 5.433 1.00 0.00 O ATOM 1540 CB SER A1012 0.727 33.309 4.795 1.00 0.00 C ATOM 1541 OG SER A1012 2.104 33.181 5.138 1.00 0.00 O ATOM 0 H SER A1012 -1.007 33.753 2.964 1.00 0.00 H new ATOM 0 HA SER A1012 1.215 31.884 3.282 1.00 0.00 H new ATOM 0 HB2 SER A1012 0.534 34.322 4.443 1.00 0.00 H new ATOM 0 HB3 SER A1012 0.116 33.159 5.685 1.00 0.00 H new ATOM 0 HG SER A1012 2.332 33.839 5.828 1.00 0.00 H new ATOM 1547 N LEU A1013 -1.549 30.776 3.597 1.00 0.00 N ATOM 1548 CA LEU A1013 -2.427 29.714 4.057 1.00 0.00 C ATOM 1549 C LEU A1013 -1.773 28.359 3.776 1.00 0.00 C ATOM 1550 O LEU A1013 -1.949 27.411 4.539 1.00 0.00 O ATOM 1551 CB LEU A1013 -3.819 29.864 3.439 1.00 0.00 C ATOM 1552 CG LEU A1013 -4.982 29.984 4.427 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -5.430 28.606 4.916 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -4.622 30.915 5.587 1.00 0.00 C ATOM 0 H LEU A1013 -1.790 31.164 2.685 1.00 0.00 H new ATOM 0 HA LEU A1013 -2.573 29.781 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -3.818 30.747 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.003 29.005 2.794 1.00 0.00 H new ATOM 0 HG LEU A1013 -5.828 30.431 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -6.257 28.720 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -5.754 28.006 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -4.598 28.109 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -5.465 30.983 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -3.754 30.520 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -4.390 31.907 5.199 1.00 0.00 H new ATOM 1566 N GLN A1014 -1.032 28.312 2.679 1.00 0.00 N ATOM 1567 CA GLN A1014 -0.350 27.090 2.288 1.00 0.00 C ATOM 1568 C GLN A1014 0.156 26.346 3.525 1.00 0.00 C ATOM 1569 O GLN A1014 -0.323 25.257 3.838 1.00 0.00 O ATOM 1570 CB GLN A1014 0.796 27.387 1.319 1.00 0.00 C ATOM 1571 CG GLN A1014 1.355 28.793 1.546 1.00 0.00 C ATOM 1572 CD GLN A1014 2.877 28.810 1.385 1.00 0.00 C ATOM 1573 OE1 GLN A1014 3.489 27.860 0.926 1.00 0.00 O ATOM 1574 NE2 GLN A1014 3.451 29.940 1.789 1.00 0.00 N ATOM 0 H GLN A1014 -0.889 29.101 2.048 1.00 0.00 H new ATOM 0 HA GLN A1014 -1.063 26.449 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.589 26.651 1.451 1.00 0.00 H new ATOM 0 HB3 GLN A1014 0.442 27.294 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A1014 0.903 29.487 0.837 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.087 29.138 2.545 1.00 0.00 H new ATOM 0 HE21 GLN A1014 2.879 30.697 2.164 1.00 0.00 H new ATOM 0 HE22 GLN A1014 4.463 30.050 1.724 1.00 0.00 H new ATOM 1583 N GLN A1015 1.118 26.963 4.195 1.00 0.00 N ATOM 1584 CA GLN A1015 1.695 26.372 5.391 1.00 0.00 C ATOM 1585 C GLN A1015 0.629 25.593 6.165 1.00 0.00 C ATOM 1586 O GLN A1015 0.911 24.531 6.717 1.00 0.00 O ATOM 1587 CB GLN A1015 2.342 27.442 6.273 1.00 0.00 C ATOM 1588 CG GLN A1015 1.425 28.658 6.421 1.00 0.00 C ATOM 1589 CD GLN A1015 2.193 29.858 6.979 1.00 0.00 C ATOM 1590 OE1 GLN A1015 3.233 30.251 6.476 1.00 0.00 O ATOM 1591 NE2 GLN A1015 1.625 30.416 8.044 1.00 0.00 N ATOM 0 H GLN A1015 1.513 27.866 3.933 1.00 0.00 H new ATOM 0 HA GLN A1015 2.477 25.676 5.089 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.560 27.025 7.256 1.00 0.00 H new ATOM 0 HB3 GLN A1015 3.293 27.750 5.839 1.00 0.00 H new ATOM 0 HG2 GLN A1015 0.996 28.915 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.594 28.413 7.083 1.00 0.00 H new ATOM 0 HE21 GLN A1015 0.754 30.037 8.415 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.061 31.223 8.490 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.572 26.152 6.180 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.681 25.523 6.878 1.00 0.00 C ATOM 1602 C GLU A1016 -2.084 24.227 6.173 1.00 0.00 C ATOM 1603 O GLU A1016 -1.913 23.139 6.720 1.00 0.00 O ATOM 1604 CB GLU A1016 -2.870 26.479 6.991 1.00 0.00 C ATOM 1605 CG GLU A1016 -3.873 25.985 8.035 1.00 0.00 C ATOM 1606 CD GLU A1016 -4.016 26.992 9.178 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -2.965 27.512 9.611 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -5.173 27.220 9.592 1.00 0.00 O ATOM 0 H GLU A1016 -0.802 27.033 5.720 1.00 0.00 H new ATOM 0 HA GLU A1016 -1.357 25.278 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -2.517 27.474 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -3.362 26.569 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -4.843 25.823 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.547 25.023 8.431 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.613 24.385 4.968 1.00 0.00 N ATOM 1616 CA TYR A1017 -3.042 23.241 4.182 1.00 0.00 C ATOM 1617 C TYR A1017 -1.902 22.235 4.010 1.00 0.00 C ATOM 1618 O TYR A1017 -2.140 21.068 3.704 1.00 0.00 O ATOM 1619 CB TYR A1017 -3.430 23.794 2.809 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.916 24.127 2.670 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.842 23.110 2.549 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.332 25.443 2.664 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -7.242 23.424 2.417 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.731 25.756 2.533 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.617 24.731 2.416 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.939 25.027 2.292 1.00 0.00 O ATOM 0 H TYR A1017 -2.754 25.289 4.517 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.867 22.726 4.674 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.847 24.694 2.613 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -3.158 23.065 2.045 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -5.517 22.080 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.607 26.238 2.758 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -7.977 22.639 2.321 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.069 26.782 2.528 1.00 0.00 H new ATOM 0 HH TYR A1017 -9.047 25.804 1.705 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.688 22.725 4.215 1.00 0.00 N ATOM 1637 CA LYS A1018 0.490 21.883 4.087 1.00 0.00 C ATOM 1638 C LYS A1018 0.480 20.827 5.194 1.00 0.00 C ATOM 1639 O LYS A1018 0.672 19.642 4.928 1.00 0.00 O ATOM 1640 CB LYS A1018 1.759 22.737 4.063 1.00 0.00 C ATOM 1641 CG LYS A1018 2.493 22.591 2.728 1.00 0.00 C ATOM 1642 CD LYS A1018 1.876 23.498 1.661 1.00 0.00 C ATOM 1643 CE LYS A1018 2.877 23.784 0.540 1.00 0.00 C ATOM 1644 NZ LYS A1018 2.172 23.993 -0.744 1.00 0.00 N ATOM 0 H LYS A1018 -0.495 23.694 4.469 1.00 0.00 H new ATOM 0 HA LYS A1018 0.475 21.349 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.501 23.783 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.418 22.439 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A1018 3.546 22.841 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A1018 2.451 21.553 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A1018 0.986 23.025 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A1018 1.556 24.435 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A1018 3.465 24.668 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A1018 3.575 22.952 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 2.866 24.186 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 1.630 23.139 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 1.524 24.801 -0.656 1.00 0.00 H new ATOM 1658 N LYS A1019 0.255 21.296 6.413 1.00 0.00 N ATOM 1659 CA LYS A1019 0.217 20.407 7.562 1.00 0.00 C ATOM 1660 C LYS A1019 -0.949 19.429 7.407 1.00 0.00 C ATOM 1661 O LYS A1019 -0.920 18.331 7.959 1.00 0.00 O ATOM 1662 CB LYS A1019 0.176 21.213 8.862 1.00 0.00 C ATOM 1663 CG LYS A1019 1.434 22.070 9.016 1.00 0.00 C ATOM 1664 CD LYS A1019 2.695 21.204 8.979 1.00 0.00 C ATOM 1665 CE LYS A1019 3.468 21.418 7.676 1.00 0.00 C ATOM 1666 NZ LYS A1019 4.907 21.622 7.955 1.00 0.00 N ATOM 0 H LYS A1019 0.097 22.280 6.630 1.00 0.00 H new ATOM 0 HA LYS A1019 1.128 19.811 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.707 21.852 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A1019 0.087 20.536 9.711 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.474 22.811 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.392 22.618 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.333 21.447 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.422 20.153 9.076 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.337 20.556 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.068 22.283 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 5.417 21.766 7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.028 22.459 8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.289 20.785 8.440 1.00 0.00 H new ATOM 1680 N GLN A1020 -1.948 19.865 6.653 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.122 19.041 6.419 1.00 0.00 C ATOM 1682 C GLN A1020 -2.759 17.832 5.555 1.00 0.00 C ATOM 1683 O GLN A1020 -2.942 16.689 5.972 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.245 19.858 5.775 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.597 21.076 6.630 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.515 20.686 7.790 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -6.624 20.212 7.605 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -4.993 20.910 8.993 1.00 0.00 N ATOM 0 H GLN A1020 -1.969 20.777 6.197 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.485 18.679 7.381 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.939 20.184 4.781 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -5.128 19.232 5.647 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.684 21.527 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.086 21.829 6.012 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -4.058 21.309 9.077 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -5.528 20.682 9.831 1.00 0.00 H new ATOM 1697 N MET A1021 -2.250 18.125 4.367 1.00 0.00 N ATOM 1698 CA MET A1021 -1.859 17.076 3.441 1.00 0.00 C ATOM 1699 C MET A1021 -0.922 16.071 4.115 1.00 0.00 C ATOM 1700 O MET A1021 -0.832 14.920 3.691 1.00 0.00 O ATOM 1701 CB MET A1021 -1.157 17.698 2.232 1.00 0.00 C ATOM 1702 CG MET A1021 0.151 18.375 2.646 1.00 0.00 C ATOM 1703 SD MET A1021 1.362 18.208 1.346 1.00 0.00 S ATOM 1704 CE MET A1021 2.131 16.672 1.834 1.00 0.00 C ATOM 0 H MET A1021 -2.099 19.074 4.025 1.00 0.00 H new ATOM 0 HA MET A1021 -2.757 16.548 3.119 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.952 16.927 1.489 1.00 0.00 H new ATOM 0 HB3 MET A1021 -1.815 18.428 1.761 1.00 0.00 H new ATOM 0 HG2 MET A1021 -0.026 19.430 2.856 1.00 0.00 H new ATOM 0 HG3 MET A1021 0.528 17.926 3.565 1.00 0.00 H new ATOM 0 HE1 MET A1021 3.178 16.677 1.532 1.00 0.00 H new ATOM 0 HE2 MET A1021 2.066 16.561 2.916 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.618 15.839 1.352 1.00 0.00 H new ATOM 1714 N LEU A1022 -0.247 16.543 5.153 1.00 0.00 N ATOM 1715 CA LEU A1022 0.680 15.701 5.889 1.00 0.00 C ATOM 1716 C LEU A1022 -0.108 14.667 6.696 1.00 0.00 C ATOM 1717 O LEU A1022 0.234 13.486 6.701 1.00 0.00 O ATOM 1718 CB LEU A1022 1.622 16.556 6.738 1.00 0.00 C ATOM 1719 CG LEU A1022 3.021 15.982 6.972 1.00 0.00 C ATOM 1720 CD1 LEU A1022 4.097 17.036 6.707 1.00 0.00 C ATOM 1721 CD2 LEU A1022 3.140 15.381 8.374 1.00 0.00 C ATOM 0 H LEU A1022 -0.324 17.498 5.502 1.00 0.00 H new ATOM 0 HA LEU A1022 1.321 15.149 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.726 17.530 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.153 16.724 7.707 1.00 0.00 H new ATOM 0 HG LEU A1022 3.181 15.172 6.260 1.00 0.00 H new ATOM 0 HD11 LEU A1022 5.082 16.602 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A1022 4.027 17.376 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A1022 3.950 17.883 7.378 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.144 14.980 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A1022 2.951 16.154 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A1022 2.410 14.580 8.490 1.00 0.00 H new ATOM 1733 N THR A1023 -1.149 15.149 7.359 1.00 0.00 N ATOM 1734 CA THR A1023 -1.989 14.282 8.167 1.00 0.00 C ATOM 1735 C THR A1023 -2.407 13.046 7.367 1.00 0.00 C ATOM 1736 O THR A1023 -2.359 11.927 7.875 1.00 0.00 O ATOM 1737 CB THR A1023 -3.173 15.107 8.673 1.00 0.00 C ATOM 1738 OG1 THR A1023 -2.598 16.363 9.021 1.00 0.00 O ATOM 1739 CG2 THR A1023 -3.736 14.577 9.993 1.00 0.00 C ATOM 0 H THR A1023 -1.430 16.130 7.353 1.00 0.00 H new ATOM 0 HA THR A1023 -1.446 13.902 9.032 1.00 0.00 H new ATOM 0 HB THR A1023 -3.960 15.111 7.919 1.00 0.00 H new ATOM 0 HG1 THR A1023 -3.298 16.961 9.358 1.00 0.00 H new ATOM 0 HG21 THR A1023 -4.574 15.199 10.307 1.00 0.00 H new ATOM 0 HG22 THR A1023 -4.077 13.551 9.857 1.00 0.00 H new ATOM 0 HG23 THR A1023 -2.959 14.603 10.757 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.807 13.291 6.128 1.00 0.00 N ATOM 1748 CA ALA A1024 -3.233 12.213 5.252 1.00 0.00 C ATOM 1749 C ALA A1024 -2.003 11.453 4.751 1.00 0.00 C ATOM 1750 O ALA A1024 -1.974 10.223 4.781 1.00 0.00 O ATOM 1751 CB ALA A1024 -4.070 12.786 4.107 1.00 0.00 C ATOM 0 H ALA A1024 -2.845 14.221 5.710 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.861 11.505 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -4.390 11.977 3.450 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.946 13.291 4.514 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -3.471 13.499 3.540 1.00 0.00 H new ATOM 1757 N ALA A1025 -1.017 12.216 4.303 1.00 0.00 N ATOM 1758 CA ALA A1025 0.212 11.630 3.796 1.00 0.00 C ATOM 1759 C ALA A1025 0.809 10.708 4.861 1.00 0.00 C ATOM 1760 O ALA A1025 1.476 9.727 4.535 1.00 0.00 O ATOM 1761 CB ALA A1025 1.176 12.743 3.382 1.00 0.00 C ATOM 0 H ALA A1025 -1.044 13.235 4.281 1.00 0.00 H new ATOM 0 HA ALA A1025 0.012 11.026 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.098 12.303 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.716 13.352 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.402 13.369 4.246 1.00 0.00 H new ATOM 1767 N HIS A1026 0.549 11.056 6.113 1.00 0.00 N ATOM 1768 CA HIS A1026 1.052 10.272 7.228 1.00 0.00 C ATOM 1769 C HIS A1026 0.289 8.949 7.311 1.00 0.00 C ATOM 1770 O HIS A1026 0.892 7.877 7.287 1.00 0.00 O ATOM 1771 CB HIS A1026 0.990 11.076 8.528 1.00 0.00 C ATOM 1772 CG HIS A1026 2.098 10.754 9.503 1.00 0.00 C ATOM 1773 ND1 HIS A1026 3.007 11.700 9.944 1.00 0.00 N ATOM 1774 CD2 HIS A1026 2.434 9.583 10.115 1.00 0.00 C ATOM 1775 CE1 HIS A1026 3.847 11.114 10.784 1.00 0.00 C ATOM 1776 NE2 HIS A1026 3.491 9.801 10.888 1.00 0.00 N ATOM 0 H HIS A1026 -0.004 11.871 6.380 1.00 0.00 H new ATOM 0 HA HIS A1026 2.103 10.034 7.066 1.00 0.00 H new ATOM 0 HB2 HIS A1026 1.028 12.139 8.288 1.00 0.00 H new ATOM 0 HB3 HIS A1026 0.030 10.893 9.011 1.00 0.00 H new ATOM 0 HD2 HIS A1026 1.926 8.638 9.992 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.669 11.592 11.296 1.00 0.00 H new ATOM 0 HE2 HIS A1026 3.960 9.102 11.465 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.028 9.067 7.409 1.00 0.00 N ATOM 1785 CA ALA A1027 -1.880 7.894 7.496 1.00 0.00 C ATOM 1786 C ALA A1027 -1.760 7.084 6.203 1.00 0.00 C ATOM 1787 O ALA A1027 -1.808 5.855 6.230 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.319 8.328 7.780 1.00 0.00 C ATOM 0 H ALA A1027 -1.525 9.957 7.430 1.00 0.00 H new ATOM 0 HA ALA A1027 -1.565 7.251 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -3.958 7.448 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.355 8.873 8.723 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -3.670 8.973 6.974 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.606 7.806 5.103 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.478 7.170 3.803 1.00 0.00 C ATOM 1796 C LEU A1028 -0.335 6.154 3.847 1.00 0.00 C ATOM 1797 O LEU A1028 -0.562 4.952 3.715 1.00 0.00 O ATOM 1798 CB LEU A1028 -1.323 8.223 2.704 1.00 0.00 C ATOM 1799 CG LEU A1028 -2.623 8.789 2.129 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -2.352 9.614 0.869 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -3.641 7.675 1.877 1.00 0.00 C ATOM 0 H LEU A1028 -1.567 8.825 5.085 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.386 6.619 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -0.734 9.050 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -0.748 7.786 1.888 1.00 0.00 H new ATOM 0 HG LEU A1028 -3.059 9.463 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -3.293 10.005 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -1.688 10.443 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -1.882 8.983 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -4.556 8.104 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -3.228 6.958 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.865 7.168 2.816 1.00 0.00 H new ATOM 1813 N ALA A1029 0.870 6.674 4.031 1.00 0.00 N ATOM 1814 CA ALA A1029 2.049 5.828 4.094 1.00 0.00 C ATOM 1815 C ALA A1029 1.712 4.548 4.862 1.00 0.00 C ATOM 1816 O ALA A1029 2.072 3.452 4.437 1.00 0.00 O ATOM 1817 CB ALA A1029 3.202 6.605 4.732 1.00 0.00 C ATOM 0 H ALA A1029 1.055 7.671 4.138 1.00 0.00 H new ATOM 0 HA ALA A1029 2.367 5.538 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A1029 4.087 5.970 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.421 7.488 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.921 6.911 5.740 1.00 0.00 H new ATOM 1823 N VAL A1030 1.026 4.731 5.981 1.00 0.00 N ATOM 1824 CA VAL A1030 0.637 3.604 6.812 1.00 0.00 C ATOM 1825 C VAL A1030 -0.422 2.777 6.081 1.00 0.00 C ATOM 1826 O VAL A1030 -0.269 1.567 5.922 1.00 0.00 O ATOM 1827 CB VAL A1030 0.167 4.102 8.181 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -0.841 3.131 8.800 1.00 0.00 C ATOM 1829 CG2 VAL A1030 1.354 4.332 9.118 1.00 0.00 C ATOM 0 H VAL A1030 0.730 5.642 6.331 1.00 0.00 H new ATOM 0 HA VAL A1030 1.490 2.951 6.993 1.00 0.00 H new ATOM 0 HB VAL A1030 -0.335 5.059 8.036 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -1.159 3.508 9.772 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -1.707 3.039 8.145 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -0.375 2.153 8.925 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.992 4.685 10.084 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.897 3.397 9.254 1.00 0.00 H new ATOM 0 HG23 VAL A1030 2.020 5.078 8.685 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.472 3.463 5.654 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.556 2.807 4.943 1.00 0.00 C ATOM 1841 C ASP A1031 -1.973 1.790 3.960 1.00 0.00 C ATOM 1842 O ASP A1031 -2.225 0.592 4.079 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.381 3.818 4.143 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.345 4.667 4.974 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -4.589 4.276 6.136 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -4.817 5.687 4.428 1.00 0.00 O ATOM 0 H ASP A1031 -1.595 4.467 5.787 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.196 2.320 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -2.699 4.483 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -3.953 3.280 3.387 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.205 2.304 3.011 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.584 1.456 2.008 1.00 0.00 C ATOM 1853 C ALA A1032 0.129 0.293 2.701 1.00 0.00 C ATOM 1854 O ALA A1032 0.143 -0.825 2.189 1.00 0.00 O ATOM 1855 CB ALA A1032 0.365 2.292 1.147 1.00 0.00 C ATOM 0 H ALA A1032 -0.998 3.298 2.915 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.338 1.033 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A1032 0.830 1.655 0.395 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.196 3.086 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A1032 1.137 2.732 1.778 1.00 0.00 H new ATOM 1861 N LYS A1033 0.703 0.596 3.856 1.00 0.00 N ATOM 1862 CA LYS A1033 1.416 -0.410 4.624 1.00 0.00 C ATOM 1863 C LYS A1033 0.439 -1.505 5.054 1.00 0.00 C ATOM 1864 O LYS A1033 0.734 -2.692 4.924 1.00 0.00 O ATOM 1865 CB LYS A1033 2.165 0.238 5.791 1.00 0.00 C ATOM 1866 CG LYS A1033 3.526 -0.427 6.006 1.00 0.00 C ATOM 1867 CD LYS A1033 4.658 0.458 5.481 1.00 0.00 C ATOM 1868 CE LYS A1033 5.998 0.064 6.106 1.00 0.00 C ATOM 1869 NZ LYS A1033 7.019 1.102 5.842 1.00 0.00 N ATOM 0 H LYS A1033 0.689 1.524 4.279 1.00 0.00 H new ATOM 0 HA LYS A1033 2.180 -0.887 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A1033 2.303 1.301 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A1033 1.569 0.157 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A1033 3.675 -0.623 7.068 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.548 -1.391 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A1033 4.719 0.371 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A1033 4.441 1.502 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.879 -0.072 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A1033 6.329 -0.891 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 7.922 0.818 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 7.145 1.212 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 6.709 2.006 6.252 1.00 0.00 H new ATOM 1883 N ASN A1034 -0.706 -1.068 5.557 1.00 0.00 N ATOM 1884 CA ASN A1034 -1.729 -1.996 6.007 1.00 0.00 C ATOM 1885 C ASN A1034 -2.093 -2.942 4.861 1.00 0.00 C ATOM 1886 O ASN A1034 -2.296 -4.136 5.077 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.000 -1.254 6.428 1.00 0.00 C ATOM 1888 CG ASN A1034 -3.669 -1.946 7.618 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -3.212 -2.961 8.117 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -4.775 -1.341 8.042 1.00 0.00 N ATOM 0 H ASN A1034 -0.948 -0.083 5.663 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.333 -2.546 6.860 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -2.755 -0.225 6.692 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -3.695 -1.211 5.590 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -5.296 -1.725 8.831 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -5.102 -0.493 7.578 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.164 -2.373 3.666 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.499 -3.151 2.486 1.00 0.00 C ATOM 1899 C LEU A1035 -1.628 -4.408 2.444 1.00 0.00 C ATOM 1900 O LEU A1035 -2.143 -5.524 2.416 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.393 -2.287 1.227 1.00 0.00 C ATOM 1902 CG LEU A1035 -2.978 -2.891 -0.052 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -3.373 -1.796 -1.044 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.013 -3.904 -0.670 1.00 0.00 C ATOM 0 H LEU A1035 -1.995 -1.383 3.490 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.536 -3.483 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -2.893 -1.338 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.341 -2.063 1.051 1.00 0.00 H new ATOM 0 HG LEU A1035 -3.888 -3.431 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -3.786 -2.252 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -4.122 -1.147 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -2.493 -1.208 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -2.452 -4.318 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.073 -3.409 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -1.824 -4.708 0.042 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.322 -4.184 2.441 1.00 0.00 N ATOM 1917 CA LEU A1036 0.626 -5.285 2.404 1.00 0.00 C ATOM 1918 C LEU A1036 0.649 -5.979 3.767 1.00 0.00 C ATOM 1919 O LEU A1036 0.735 -7.204 3.842 1.00 0.00 O ATOM 1920 CB LEU A1036 1.999 -4.794 1.940 1.00 0.00 C ATOM 1921 CG LEU A1036 2.763 -5.728 0.999 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.744 -5.195 -0.436 1.00 0.00 C ATOM 1923 CD2 LEU A1036 4.187 -5.969 1.502 1.00 0.00 C ATOM 0 H LEU A1036 0.102 -3.257 2.464 1.00 0.00 H new ATOM 0 HA LEU A1036 0.316 -6.031 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.870 -3.834 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.615 -4.615 2.821 1.00 0.00 H new ATOM 0 HG LEU A1036 2.257 -6.694 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A1036 3.294 -5.877 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.713 -5.117 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A1036 3.212 -4.211 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.708 -6.636 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.719 -5.019 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A1036 4.151 -6.424 2.492 1.00 0.00 H new ATOM 1935 N ASP A1037 0.572 -5.167 4.811 1.00 0.00 N ATOM 1936 CA ASP A1037 0.583 -5.688 6.167 1.00 0.00 C ATOM 1937 C ASP A1037 -0.370 -6.882 6.258 1.00 0.00 C ATOM 1938 O ASP A1037 0.012 -7.951 6.731 1.00 0.00 O ATOM 1939 CB ASP A1037 0.112 -4.630 7.167 1.00 0.00 C ATOM 1940 CG ASP A1037 0.375 -4.967 8.636 1.00 0.00 C ATOM 1941 OD1 ASP A1037 1.002 -6.022 8.873 1.00 0.00 O ATOM 1942 OD2 ASP A1037 -0.057 -4.161 9.489 1.00 0.00 O ATOM 0 H ASP A1037 0.502 -4.152 4.745 1.00 0.00 H new ATOM 0 HA ASP A1037 1.605 -5.982 6.407 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.604 -3.686 6.933 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.958 -4.474 7.031 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.592 -6.659 5.796 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.602 -7.704 5.820 1.00 0.00 C ATOM 1949 C VAL A1038 -2.153 -8.862 4.926 1.00 0.00 C ATOM 1950 O VAL A1038 -2.423 -10.024 5.227 1.00 0.00 O ATOM 1951 CB VAL A1038 -3.960 -7.127 5.413 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -3.921 -6.588 3.982 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -5.069 -8.169 5.577 1.00 0.00 C ATOM 0 H VAL A1038 -1.905 -5.771 5.403 1.00 0.00 H new ATOM 0 HA VAL A1038 -2.720 -8.099 6.829 1.00 0.00 H new ATOM 0 HB VAL A1038 -4.183 -6.293 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -4.899 -6.184 3.719 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -3.171 -5.800 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -3.665 -7.395 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -6.024 -7.734 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -4.853 -9.032 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -5.121 -8.484 6.619 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.474 -8.505 3.846 1.00 0.00 N ATOM 1964 CA ILE A1039 -0.985 -9.500 2.907 1.00 0.00 C ATOM 1965 C ILE A1039 0.028 -10.405 3.611 1.00 0.00 C ATOM 1966 O ILE A1039 -0.074 -11.629 3.543 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.436 -8.825 1.648 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.558 -8.528 0.651 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.682 -9.661 1.021 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.085 -7.560 -0.435 1.00 0.00 C ATOM 0 H ILE A1039 -1.251 -7.541 3.600 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.802 -10.138 2.568 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.000 -7.868 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.897 -9.457 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.412 -8.101 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.055 -9.159 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.495 -9.777 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.294 -10.643 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.902 -7.366 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.770 -6.623 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.246 -8.000 -0.974 1.00 0.00 H new ATOM 1982 N ASP A1040 0.984 -9.767 4.272 1.00 0.00 N ATOM 1983 CA ASP A1040 2.015 -10.499 4.988 1.00 0.00 C ATOM 1984 C ASP A1040 1.359 -11.563 5.871 1.00 0.00 C ATOM 1985 O ASP A1040 1.799 -12.711 5.896 1.00 0.00 O ATOM 1986 CB ASP A1040 2.824 -9.568 5.892 1.00 0.00 C ATOM 1987 CG ASP A1040 4.342 -9.731 5.796 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.796 -10.890 5.911 1.00 0.00 O ATOM 1989 OD2 ASP A1040 5.014 -8.694 5.609 1.00 0.00 O ATOM 0 H ASP A1040 1.066 -8.752 4.326 1.00 0.00 H new ATOM 0 HA ASP A1040 2.679 -10.954 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A1040 2.568 -8.537 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A1040 2.520 -9.736 6.925 1.00 0.00 H new ATOM 1994 N GLN A1041 0.317 -11.143 6.573 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.404 -12.046 7.455 1.00 0.00 C ATOM 1996 C GLN A1041 -1.095 -13.142 6.642 1.00 0.00 C ATOM 1997 O GLN A1041 -1.417 -14.204 7.173 1.00 0.00 O ATOM 1998 CB GLN A1041 -1.413 -11.282 8.315 1.00 0.00 C ATOM 1999 CG GLN A1041 -2.842 -11.513 7.819 1.00 0.00 C ATOM 2000 CD GLN A1041 -3.409 -12.822 8.372 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -2.933 -13.371 9.352 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -4.451 -13.291 7.690 1.00 0.00 N ATOM 0 H GLN A1041 -0.045 -10.190 6.549 1.00 0.00 H new ATOM 0 HA GLN A1041 0.313 -12.517 8.127 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -1.328 -11.603 9.353 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -1.184 -10.217 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -3.476 -10.680 8.124 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -2.853 -11.539 6.729 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -4.800 -12.782 6.878 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -4.901 -14.160 7.979 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.304 -12.847 5.367 1.00 0.00 N ATOM 2012 CA ALA A1042 -1.952 -13.795 4.476 1.00 0.00 C ATOM 2013 C ALA A1042 -0.912 -14.787 3.951 1.00 0.00 C ATOM 2014 O ALA A1042 -1.064 -15.996 4.116 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.655 -13.037 3.349 1.00 0.00 C ATOM 0 H ALA A1042 -1.036 -11.965 4.930 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.712 -14.366 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.141 -13.748 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.403 -12.367 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.922 -12.455 2.789 1.00 0.00 H new ATOM 2021 N ARG A1043 0.121 -14.238 3.329 1.00 0.00 N ATOM 2022 CA ARG A1043 1.186 -15.060 2.778 1.00 0.00 C ATOM 2023 C ARG A1043 1.568 -16.164 3.766 1.00 0.00 C ATOM 2024 O ARG A1043 1.772 -17.311 3.371 1.00 0.00 O ATOM 2025 CB ARG A1043 2.423 -14.218 2.461 1.00 0.00 C ATOM 2026 CG ARG A1043 3.435 -15.019 1.639 1.00 0.00 C ATOM 2027 CD ARG A1043 4.475 -14.096 0.999 1.00 0.00 C ATOM 2028 NE ARG A1043 5.747 -14.167 1.753 1.00 0.00 N ATOM 2029 CZ ARG A1043 6.804 -13.378 1.518 1.00 0.00 C ATOM 2030 NH1 ARG A1043 6.748 -12.454 0.550 1.00 0.00 N ATOM 2031 NH2 ARG A1043 7.917 -13.514 2.252 1.00 0.00 N ATOM 0 H ARG A1043 0.243 -13.234 3.194 1.00 0.00 H new ATOM 0 HA ARG A1043 0.818 -15.506 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.128 -13.324 1.911 1.00 0.00 H new ATOM 0 HB3 ARG A1043 2.887 -13.883 3.389 1.00 0.00 H new ATOM 0 HG2 ARG A1043 3.934 -15.747 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A1043 2.915 -15.581 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.641 -14.386 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A1043 4.106 -13.071 0.988 1.00 0.00 H new ATOM 0 HE ARG A1043 5.823 -14.860 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A1043 5.901 -12.351 -0.008 1.00 0.00 H new ATOM 0 HH12 ARG A1043 7.553 -11.853 0.371 1.00 0.00 H new ATOM 0 HH21 ARG A1043 7.959 -14.218 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A1043 8.722 -12.914 2.074 1.00 0.00 H new ATOM 2045 N LEU A1044 1.654 -15.779 5.031 1.00 0.00 N ATOM 2046 CA LEU A1044 2.008 -16.723 6.078 1.00 0.00 C ATOM 2047 C LEU A1044 0.833 -17.671 6.323 1.00 0.00 C ATOM 2048 O LEU A1044 1.031 -18.855 6.590 1.00 0.00 O ATOM 2049 CB LEU A1044 2.472 -15.981 7.333 1.00 0.00 C ATOM 2050 CG LEU A1044 1.473 -14.991 7.934 1.00 0.00 C ATOM 2051 CD1 LEU A1044 0.464 -15.707 8.833 1.00 0.00 C ATOM 2052 CD2 LEU A1044 2.196 -13.861 8.671 1.00 0.00 C ATOM 0 H LEU A1044 1.485 -14.827 5.355 1.00 0.00 H new ATOM 0 HA LEU A1044 2.853 -17.337 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.725 -16.719 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.389 -15.442 7.094 1.00 0.00 H new ATOM 0 HG LEU A1044 0.911 -14.536 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.234 -14.980 9.247 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.085 -16.445 8.248 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.991 -16.207 9.645 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.463 -13.171 9.089 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.800 -14.280 9.476 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.841 -13.326 7.974 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.366 -17.115 6.223 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.573 -17.897 6.430 1.00 0.00 C ATOM 2066 C LYS A1045 -1.536 -19.133 5.529 1.00 0.00 C ATOM 2067 O LYS A1045 -2.230 -20.115 5.788 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.815 -17.026 6.230 1.00 0.00 C ATOM 2069 CG LYS A1045 -4.091 -17.814 6.534 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.724 -18.350 5.248 1.00 0.00 C ATOM 2071 CE LYS A1045 -6.190 -18.725 5.474 1.00 0.00 C ATOM 2072 NZ LYS A1045 -6.619 -19.753 4.499 1.00 0.00 N ATOM 0 H LYS A1045 -0.527 -16.132 6.001 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.624 -18.254 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.759 -16.152 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -2.845 -16.659 5.204 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -3.860 -18.643 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -4.803 -17.173 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -4.654 -17.597 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -4.171 -19.223 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -6.323 -19.100 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.817 -17.839 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -7.616 -19.996 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -6.511 -19.382 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -6.032 -20.604 4.611 1.00 0.00 H new ATOM 2086 N MET A1046 -0.720 -19.044 4.489 1.00 0.00 N ATOM 2087 CA MET A1046 -0.584 -20.143 3.548 1.00 0.00 C ATOM 2088 C MET A1046 0.513 -21.112 3.993 1.00 0.00 C ATOM 2089 O MET A1046 0.361 -22.327 3.868 1.00 0.00 O ATOM 2090 CB MET A1046 -0.246 -19.590 2.163 1.00 0.00 C ATOM 2091 CG MET A1046 1.150 -20.033 1.721 1.00 0.00 C ATOM 2092 SD MET A1046 1.495 -19.422 0.080 1.00 0.00 S ATOM 2093 CE MET A1046 1.831 -17.709 0.451 1.00 0.00 C ATOM 0 H MET A1046 -0.146 -18.228 4.277 1.00 0.00 H new ATOM 0 HA MET A1046 -1.529 -20.685 3.511 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.986 -19.933 1.440 1.00 0.00 H new ATOM 0 HB3 MET A1046 -0.298 -18.501 2.180 1.00 0.00 H new ATOM 0 HG2 MET A1046 1.897 -19.660 2.421 1.00 0.00 H new ATOM 0 HG3 MET A1046 1.216 -21.121 1.734 1.00 0.00 H new ATOM 0 HE1 MET A1046 2.136 -17.193 -0.459 1.00 0.00 H new ATOM 0 HE2 MET A1046 0.932 -17.240 0.850 1.00 0.00 H new ATOM 0 HE3 MET A1046 2.631 -17.647 1.189 1.00 0.00 H new ATOM 2103 N ILE A1047 1.593 -20.540 4.503 1.00 0.00 N ATOM 2104 CA ILE A1047 2.715 -21.338 4.967 1.00 0.00 C ATOM 2105 C ILE A1047 2.289 -22.141 6.198 1.00 0.00 C ATOM 2106 O ILE A1047 2.384 -23.368 6.207 1.00 0.00 O ATOM 2107 CB ILE A1047 3.941 -20.454 5.203 1.00 0.00 C ATOM 2108 CG1 ILE A1047 4.540 -19.981 3.877 1.00 0.00 C ATOM 2109 CG2 ILE A1047 4.974 -21.170 6.076 1.00 0.00 C ATOM 2110 CD1 ILE A1047 4.697 -18.459 3.858 1.00 0.00 C ATOM 0 H ILE A1047 1.715 -19.533 4.605 1.00 0.00 H new ATOM 0 HA ILE A1047 3.012 -22.057 4.204 1.00 0.00 H new ATOM 0 HB ILE A1047 3.621 -19.565 5.747 1.00 0.00 H new ATOM 0 HG12 ILE A1047 5.511 -20.452 3.724 1.00 0.00 H new ATOM 0 HG13 ILE A1047 3.900 -20.294 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A1047 5.835 -20.520 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A1047 4.529 -21.414 7.040 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.295 -22.087 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.125 -18.149 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A1047 3.721 -17.991 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A1047 5.357 -18.151 4.669 1.00 0.00 H new