USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1010 MET CE :methyl 144:sc= -4.66! (180deg=-10.1!) USER MOD Set 1.2: A1011 THR OG1 : rot 180:sc= 0.0628! USER MOD Set 2.1: A1001 LYS NZ :NH3+ -130:sc= -1.34 (180deg=-3.36!) USER MOD Set 2.2: A1020 GLN : amide:sc= -0.0281 K(o=-1.4,f=-2) USER MOD Set 3.1: A 942 LYS NZ :NH3+ -126:sc= -0.473 (180deg=-1.09) USER MOD Set 3.2: A 954 MET CE :methyl -142:sc= -4.66! (180deg=-10.1!) USER MOD Set 4.1: A 939 MET CE :methyl 163:sc= -0.52 (180deg=-1.61!) USER MOD Set 4.2: A1021 MET CE :methyl 134:sc= -0.537 (180deg=-2.4!) USER MOD Single : A 922 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.21) 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= -5.37! C(o=-5.4!,f=-12!) USER MOD Single : A 930 THR OG1 : rot -12:sc= 0.443 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -62:sc= 1.05 USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 944 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 951 TYR OH : rot 180:sc= 0 USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 92:sc= 0.226 USER MOD Single : A 972 SER OG : rot 180:sc= -0.762 USER MOD Single : A 979 SER OG : rot 140:sc= -0.0759 USER MOD Single : A 980 THR OG1 : rot -26:sc= -5.48! USER MOD Single : A 981 HIS : no HD1:sc= -5.01! C(o=-5!,f=-5.2!) USER MOD Single : A 986 MET CE :methyl -148:sc= -0.193 (180deg=-1.5!) USER MOD Single : A 988 GLN : amide:sc= -2.44! C(o=-2.4!,f=-4.6!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc=-0.000644 X(o=-0.00064,f=0) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.0317 K(o=-0.032,f=-1.1) USER MOD Single : A1002 MET CE :methyl -103:sc= -2.85 (180deg=-6.39!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -0.335 K(o=-0.34,f=-2.6!) USER MOD Single : A1007 GLN : amide:sc= -0.368 K(o=-0.37,f=-3!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A1015 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.11) USER MOD Single : A1017 TYR OH : rot 53:sc= -0.334! 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 : A1023 THR OG1 : rot 79:sc= 0.00472 USER MOD Single : A1026 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.2) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -8.75! C(o=-8.8!,f=-13!) USER MOD Single : A1041 GLN : amide:sc= -2.1! C(o=-2.1!,f=-2.2!) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl 163:sc= -0.866 (180deg=-2.22!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.227 -10.215 -6.104 1.00 0.00 N ATOM 108 CA ASN A 922 4.970 -9.674 -4.780 1.00 0.00 C ATOM 109 C ASN A 922 5.952 -8.534 -4.501 1.00 0.00 C ATOM 110 O ASN A 922 5.715 -7.708 -3.621 1.00 0.00 O ATOM 111 CB ASN A 922 5.166 -10.741 -3.701 1.00 0.00 C ATOM 112 CG ASN A 922 6.647 -11.085 -3.532 1.00 0.00 C ATOM 113 OD1 ASN A 922 7.351 -10.522 -2.710 1.00 0.00 O ATOM 114 ND2 ASN A 922 7.079 -12.038 -4.353 1.00 0.00 N ATOM 0 HA ASN A 922 3.939 -9.320 -4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 922 4.762 -10.384 -2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 922 4.609 -11.639 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 922 8.053 -12.339 -4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 922 6.436 -12.468 -5.018 1.00 0.00 H new ATOM 121 N ASP A 923 7.033 -8.526 -5.266 1.00 0.00 N ATOM 122 CA ASP A 923 8.052 -7.501 -5.112 1.00 0.00 C ATOM 123 C ASP A 923 7.544 -6.189 -5.713 1.00 0.00 C ATOM 124 O ASP A 923 7.825 -5.112 -5.189 1.00 0.00 O ATOM 125 CB ASP A 923 9.339 -7.889 -5.843 1.00 0.00 C ATOM 126 CG ASP A 923 10.538 -6.980 -5.568 1.00 0.00 C ATOM 127 OD1 ASP A 923 10.826 -6.767 -4.370 1.00 0.00 O ATOM 128 OD2 ASP A 923 11.138 -6.517 -6.562 1.00 0.00 O ATOM 0 H ASP A 923 7.226 -9.213 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 923 8.261 -7.391 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.604 -8.909 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 923 9.143 -7.892 -6.915 1.00 0.00 H new ATOM 133 N LYS A 924 6.804 -6.322 -6.804 1.00 0.00 N ATOM 134 CA LYS A 924 6.255 -5.161 -7.482 1.00 0.00 C ATOM 135 C LYS A 924 5.296 -4.431 -6.539 1.00 0.00 C ATOM 136 O LYS A 924 5.456 -3.238 -6.287 1.00 0.00 O ATOM 137 CB LYS A 924 5.617 -5.568 -8.812 1.00 0.00 C ATOM 138 CG LYS A 924 4.949 -4.371 -9.490 1.00 0.00 C ATOM 139 CD LYS A 924 5.750 -3.914 -10.711 1.00 0.00 C ATOM 140 CE LYS A 924 4.902 -3.989 -11.982 1.00 0.00 C ATOM 141 NZ LYS A 924 5.424 -5.032 -12.893 1.00 0.00 N ATOM 0 H LYS A 924 6.572 -7.217 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 924 7.049 -4.459 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 924 6.378 -5.986 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 924 4.879 -6.352 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 924 3.937 -4.639 -9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 924 4.861 -3.549 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 924 6.097 -2.892 -10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 924 6.636 -4.538 -10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 924 3.866 -4.209 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 924 4.906 -3.023 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 4.837 -5.069 -13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 6.405 -4.805 -13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 5.398 -5.955 -12.415 1.00 0.00 H new ATOM 155 N VAL A 925 4.321 -5.179 -6.042 1.00 0.00 N ATOM 156 CA VAL A 925 3.337 -4.618 -5.132 1.00 0.00 C ATOM 157 C VAL A 925 4.052 -4.030 -3.914 1.00 0.00 C ATOM 158 O VAL A 925 3.738 -2.923 -3.480 1.00 0.00 O ATOM 159 CB VAL A 925 2.302 -5.681 -4.761 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.104 -5.054 -4.045 1.00 0.00 C ATOM 161 CG2 VAL A 925 1.853 -6.464 -5.997 1.00 0.00 C ATOM 0 H VAL A 925 4.192 -6.169 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 925 2.792 -3.806 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 925 2.774 -6.382 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 925 0.383 -5.832 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 925 1.442 -4.562 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 925 0.632 -4.321 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.117 -7.213 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.408 -5.780 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 925 2.714 -6.957 -6.448 1.00 0.00 H new ATOM 171 N TYR A 926 5.001 -4.796 -3.398 1.00 0.00 N ATOM 172 CA TYR A 926 5.764 -4.365 -2.238 1.00 0.00 C ATOM 173 C TYR A 926 6.616 -3.138 -2.568 1.00 0.00 C ATOM 174 O TYR A 926 6.892 -2.317 -1.695 1.00 0.00 O ATOM 175 CB TYR A 926 6.687 -5.532 -1.883 1.00 0.00 C ATOM 176 CG TYR A 926 6.014 -6.627 -1.053 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.729 -7.030 -1.354 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.693 -7.212 -0.003 1.00 0.00 C ATOM 179 CE1 TYR A 926 4.096 -8.061 -0.572 1.00 0.00 C ATOM 180 CE2 TYR A 926 6.060 -8.243 0.779 1.00 0.00 C ATOM 181 CZ TYR A 926 4.793 -8.616 0.455 1.00 0.00 C ATOM 182 OH TYR A 926 4.195 -9.590 1.193 1.00 0.00 O ATOM 0 H TYR A 926 5.260 -5.713 -3.762 1.00 0.00 H new ATOM 0 HA TYR A 926 5.098 -4.095 -1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.070 -5.972 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.545 -5.148 -1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.198 -6.573 -2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.699 -6.897 0.232 1.00 0.00 H new ATOM 0 HE1 TYR A 926 3.091 -8.386 -0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.579 -8.709 1.603 1.00 0.00 H new ATOM 0 HH TYR A 926 4.810 -9.895 1.892 1.00 0.00 H new ATOM 192 N GLU A 927 7.009 -3.052 -3.831 1.00 0.00 N ATOM 193 CA GLU A 927 7.824 -1.939 -4.287 1.00 0.00 C ATOM 194 C GLU A 927 6.984 -0.662 -4.364 1.00 0.00 C ATOM 195 O GLU A 927 7.236 0.296 -3.635 1.00 0.00 O ATOM 196 CB GLU A 927 8.472 -2.251 -5.637 1.00 0.00 C ATOM 197 CG GLU A 927 9.807 -2.974 -5.450 1.00 0.00 C ATOM 198 CD GLU A 927 10.972 -1.981 -5.452 1.00 0.00 C ATOM 199 OE1 GLU A 927 11.206 -1.379 -4.382 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.603 -1.848 -6.523 1.00 0.00 O ATOM 0 H GLU A 927 6.778 -3.735 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 927 8.625 -1.781 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 927 7.800 -2.869 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.630 -1.326 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.797 -3.527 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 927 9.945 -3.704 -6.248 1.00 0.00 H new ATOM 207 N ASN A 928 6.002 -0.691 -5.253 1.00 0.00 N ATOM 208 CA ASN A 928 5.124 0.452 -5.435 1.00 0.00 C ATOM 209 C ASN A 928 4.709 0.994 -4.065 1.00 0.00 C ATOM 210 O ASN A 928 4.829 2.190 -3.804 1.00 0.00 O ATOM 211 CB ASN A 928 3.854 0.057 -6.191 1.00 0.00 C ATOM 212 CG ASN A 928 4.193 -0.750 -7.447 1.00 0.00 C ATOM 213 OD1 ASN A 928 3.853 -1.914 -7.579 1.00 0.00 O ATOM 214 ND2 ASN A 928 4.880 -0.068 -8.358 1.00 0.00 N ATOM 0 H ASN A 928 5.795 -1.488 -5.855 1.00 0.00 H new ATOM 0 HA ASN A 928 5.665 1.205 -6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.207 -0.531 -5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.298 0.953 -6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 928 5.155 -0.517 -9.231 1.00 0.00 H new ATOM 0 HD22 ASN A 928 5.132 0.905 -8.184 1.00 0.00 H new ATOM 221 N VAL A 929 4.229 0.087 -3.227 1.00 0.00 N ATOM 222 CA VAL A 929 3.796 0.458 -1.890 1.00 0.00 C ATOM 223 C VAL A 929 4.821 1.412 -1.273 1.00 0.00 C ATOM 224 O VAL A 929 4.477 2.522 -0.869 1.00 0.00 O ATOM 225 CB VAL A 929 3.563 -0.797 -1.048 1.00 0.00 C ATOM 226 CG1 VAL A 929 3.663 -0.481 0.446 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.217 -1.442 -1.383 1.00 0.00 C ATOM 0 H VAL A 929 4.130 -0.904 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 929 2.844 0.987 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 929 4.347 -1.514 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 929 3.493 -1.390 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 929 4.655 -0.090 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 929 2.912 0.262 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 929 2.077 -2.332 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.414 -0.733 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.199 -1.721 -2.437 1.00 0.00 H new ATOM 237 N THR A 930 6.059 0.944 -1.220 1.00 0.00 N ATOM 238 CA THR A 930 7.136 1.742 -0.658 1.00 0.00 C ATOM 239 C THR A 930 7.468 2.916 -1.581 1.00 0.00 C ATOM 240 O THR A 930 7.999 3.931 -1.134 1.00 0.00 O ATOM 241 CB THR A 930 8.327 0.815 -0.403 1.00 0.00 C ATOM 242 OG1 THR A 930 8.649 0.301 -1.692 1.00 0.00 O ATOM 243 CG2 THR A 930 7.941 -0.424 0.407 1.00 0.00 C ATOM 0 H THR A 930 6.341 0.023 -1.557 1.00 0.00 H new ATOM 0 HA THR A 930 6.843 2.189 0.292 1.00 0.00 H new ATOM 0 HB THR A 930 9.108 1.364 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.927 0.514 -2.319 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.822 -1.048 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.542 -0.117 1.374 1.00 0.00 H new ATOM 0 HG23 THR A 930 7.184 -0.991 -0.134 1.00 0.00 H new ATOM 251 N GLY A 931 7.139 2.739 -2.853 1.00 0.00 N ATOM 252 CA GLY A 931 7.395 3.771 -3.843 1.00 0.00 C ATOM 253 C GLY A 931 6.625 5.051 -3.512 1.00 0.00 C ATOM 254 O GLY A 931 7.205 6.021 -3.027 1.00 0.00 O ATOM 0 H GLY A 931 6.697 1.896 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.463 3.985 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 931 7.105 3.413 -4.831 1.00 0.00 H new ATOM 258 N LEU A 932 5.330 5.012 -3.788 1.00 0.00 N ATOM 259 CA LEU A 932 4.474 6.156 -3.526 1.00 0.00 C ATOM 260 C LEU A 932 4.688 6.629 -2.087 1.00 0.00 C ATOM 261 O LEU A 932 4.721 7.829 -1.822 1.00 0.00 O ATOM 262 CB LEU A 932 3.017 5.822 -3.854 1.00 0.00 C ATOM 263 CG LEU A 932 2.193 5.225 -2.712 1.00 0.00 C ATOM 264 CD1 LEU A 932 2.795 3.901 -2.235 1.00 0.00 C ATOM 265 CD2 LEU A 932 2.034 6.227 -1.567 1.00 0.00 C ATOM 0 H LEU A 932 4.853 4.206 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 932 4.740 6.988 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.524 6.733 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.005 5.122 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 932 1.194 5.008 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 932 2.190 3.498 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.813 3.191 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 932 3.812 4.070 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 932 1.444 5.777 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 932 3.017 6.499 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.527 7.120 -1.933 1.00 0.00 H new ATOM 277 N VAL A 933 4.827 5.659 -1.194 1.00 0.00 N ATOM 278 CA VAL A 933 5.036 5.961 0.212 1.00 0.00 C ATOM 279 C VAL A 933 6.327 6.768 0.369 1.00 0.00 C ATOM 280 O VAL A 933 6.305 7.887 0.880 1.00 0.00 O ATOM 281 CB VAL A 933 5.037 4.668 1.030 1.00 0.00 C ATOM 282 CG1 VAL A 933 5.881 4.821 2.297 1.00 0.00 C ATOM 283 CG2 VAL A 933 3.610 4.235 1.371 1.00 0.00 C ATOM 0 H VAL A 933 4.799 4.664 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 933 4.220 6.573 0.597 1.00 0.00 H new ATOM 0 HB VAL A 933 5.488 3.886 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 933 5.865 3.888 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 933 6.908 5.062 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 933 5.472 5.623 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 933 3.639 3.314 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 933 3.122 5.017 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 933 3.051 4.066 0.450 1.00 0.00 H new ATOM 293 N LYS A 934 7.420 6.169 -0.080 1.00 0.00 N ATOM 294 CA LYS A 934 8.717 6.819 0.004 1.00 0.00 C ATOM 295 C LYS A 934 8.569 8.294 -0.372 1.00 0.00 C ATOM 296 O LYS A 934 9.249 9.153 0.189 1.00 0.00 O ATOM 297 CB LYS A 934 9.748 6.069 -0.843 1.00 0.00 C ATOM 298 CG LYS A 934 10.434 4.971 -0.027 1.00 0.00 C ATOM 299 CD LYS A 934 11.593 4.351 -0.808 1.00 0.00 C ATOM 300 CE LYS A 934 12.926 4.987 -0.409 1.00 0.00 C ATOM 301 NZ LYS A 934 13.421 5.872 -1.487 1.00 0.00 N ATOM 0 H LYS A 934 7.434 5.241 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 934 9.094 6.787 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 934 9.259 5.629 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.495 6.769 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 934 10.804 5.387 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.710 4.198 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.628 3.278 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.428 4.484 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 934 12.802 5.559 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 934 13.660 4.208 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 14.326 6.296 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 13.558 5.317 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 12.727 6.626 -1.664 1.00 0.00 H new ATOM 315 N ALA A 935 7.677 8.545 -1.319 1.00 0.00 N ATOM 316 CA ALA A 935 7.431 9.902 -1.776 1.00 0.00 C ATOM 317 C ALA A 935 6.493 10.605 -0.793 1.00 0.00 C ATOM 318 O ALA A 935 6.748 11.738 -0.388 1.00 0.00 O ATOM 319 CB ALA A 935 6.867 9.867 -3.198 1.00 0.00 C ATOM 0 H ALA A 935 7.115 7.831 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 935 8.360 10.471 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.682 10.885 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.584 9.385 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.932 9.306 -3.205 1.00 0.00 H new ATOM 325 N VAL A 936 5.427 9.903 -0.437 1.00 0.00 N ATOM 326 CA VAL A 936 4.449 10.445 0.491 1.00 0.00 C ATOM 327 C VAL A 936 5.173 11.240 1.580 1.00 0.00 C ATOM 328 O VAL A 936 4.710 12.305 1.987 1.00 0.00 O ATOM 329 CB VAL A 936 3.579 9.318 1.052 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.993 9.704 2.412 1.00 0.00 C ATOM 331 CG2 VAL A 936 2.473 8.937 0.066 1.00 0.00 C ATOM 0 H VAL A 936 5.219 8.963 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 936 3.776 11.133 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 936 4.214 8.444 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 936 2.379 8.886 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 936 3.803 9.903 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 936 2.379 10.598 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.869 8.134 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.841 9.804 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.920 8.601 -0.870 1.00 0.00 H new ATOM 341 N ILE A 937 6.296 10.693 2.020 1.00 0.00 N ATOM 342 CA ILE A 937 7.088 11.338 3.054 1.00 0.00 C ATOM 343 C ILE A 937 7.975 12.410 2.417 1.00 0.00 C ATOM 344 O ILE A 937 7.773 13.602 2.641 1.00 0.00 O ATOM 345 CB ILE A 937 7.865 10.297 3.862 1.00 0.00 C ATOM 346 CG1 ILE A 937 6.952 9.588 4.864 1.00 0.00 C ATOM 347 CG2 ILE A 937 9.082 10.928 4.542 1.00 0.00 C ATOM 348 CD1 ILE A 937 7.091 8.068 4.752 1.00 0.00 C ATOM 0 H ILE A 937 6.677 9.810 1.680 1.00 0.00 H new ATOM 0 HA ILE A 937 6.440 11.844 3.770 1.00 0.00 H new ATOM 0 HB ILE A 937 8.238 9.539 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 937 7.201 9.906 5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 937 5.916 9.876 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 937 9.617 10.167 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 937 9.744 11.349 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 937 8.753 11.719 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 937 6.431 7.588 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 937 6.818 7.751 3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 937 8.123 7.781 4.956 1.00 0.00 H new ATOM 360 N GLU A 938 8.938 11.946 1.634 1.00 0.00 N ATOM 361 CA GLU A 938 9.857 12.850 0.963 1.00 0.00 C ATOM 362 C GLU A 938 9.123 14.114 0.512 1.00 0.00 C ATOM 363 O GLU A 938 9.604 15.226 0.729 1.00 0.00 O ATOM 364 CB GLU A 938 10.538 12.159 -0.220 1.00 0.00 C ATOM 365 CG GLU A 938 12.055 12.356 -0.171 1.00 0.00 C ATOM 366 CD GLU A 938 12.764 11.058 0.220 1.00 0.00 C ATOM 367 OE1 GLU A 938 12.985 10.234 -0.694 1.00 0.00 O ATOM 368 OE2 GLU A 938 13.068 10.918 1.424 1.00 0.00 O ATOM 0 H GLU A 938 9.102 10.956 1.449 1.00 0.00 H new ATOM 0 HA GLU A 938 10.635 13.138 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 938 10.305 11.094 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 938 10.146 12.560 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 938 12.413 12.691 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 938 12.301 13.139 0.546 1.00 0.00 H new ATOM 375 N MET A 939 7.971 13.902 -0.108 1.00 0.00 N ATOM 376 CA MET A 939 7.167 15.011 -0.591 1.00 0.00 C ATOM 377 C MET A 939 7.074 16.120 0.459 1.00 0.00 C ATOM 378 O MET A 939 7.490 17.251 0.211 1.00 0.00 O ATOM 379 CB MET A 939 5.761 14.512 -0.932 1.00 0.00 C ATOM 380 CG MET A 939 5.758 13.745 -2.256 1.00 0.00 C ATOM 381 SD MET A 939 4.151 13.022 -2.539 1.00 0.00 S ATOM 382 CE MET A 939 3.107 14.391 -2.066 1.00 0.00 C ATOM 0 H MET A 939 7.576 12.979 -0.287 1.00 0.00 H new ATOM 0 HA MET A 939 7.644 15.419 -1.482 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.396 13.867 -0.133 1.00 0.00 H new ATOM 0 HB3 MET A 939 5.076 15.358 -0.996 1.00 0.00 H new ATOM 0 HG2 MET A 939 6.013 14.417 -3.076 1.00 0.00 H new ATOM 0 HG3 MET A 939 6.519 12.964 -2.235 1.00 0.00 H new ATOM 0 HE1 MET A 939 2.102 14.234 -2.457 1.00 0.00 H new ATOM 0 HE2 MET A 939 3.067 14.460 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 939 3.514 15.317 -2.473 1.00 0.00 H new ATOM 392 N SER A 940 6.525 15.758 1.609 1.00 0.00 N ATOM 393 CA SER A 940 6.373 16.708 2.698 1.00 0.00 C ATOM 394 C SER A 940 7.676 17.482 2.904 1.00 0.00 C ATOM 395 O SER A 940 7.654 18.682 3.171 1.00 0.00 O ATOM 396 CB SER A 940 5.965 16.001 3.993 1.00 0.00 C ATOM 397 OG SER A 940 6.911 15.008 4.379 1.00 0.00 O ATOM 0 H SER A 940 6.180 14.820 1.811 1.00 0.00 H new ATOM 0 HA SER A 940 5.581 17.408 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 940 5.865 16.736 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 940 4.987 15.538 3.861 1.00 0.00 H new ATOM 0 HG SER A 940 6.962 14.318 3.685 1.00 0.00 H new ATOM 403 N SER A 941 8.781 16.763 2.772 1.00 0.00 N ATOM 404 CA SER A 941 10.092 17.367 2.939 1.00 0.00 C ATOM 405 C SER A 941 10.286 18.489 1.917 1.00 0.00 C ATOM 406 O SER A 941 10.407 19.656 2.287 1.00 0.00 O ATOM 407 CB SER A 941 11.202 16.324 2.799 1.00 0.00 C ATOM 408 OG SER A 941 12.388 16.710 3.487 1.00 0.00 O ATOM 0 H SER A 941 8.795 15.767 2.551 1.00 0.00 H new ATOM 0 HA SER A 941 10.149 17.786 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.852 15.368 3.188 1.00 0.00 H new ATOM 0 HB3 SER A 941 11.428 16.175 1.743 1.00 0.00 H new ATOM 0 HG SER A 941 13.072 16.017 3.375 1.00 0.00 H new ATOM 414 N LYS A 942 10.308 18.096 0.652 1.00 0.00 N ATOM 415 CA LYS A 942 10.485 19.055 -0.426 1.00 0.00 C ATOM 416 C LYS A 942 9.118 19.594 -0.852 1.00 0.00 C ATOM 417 O LYS A 942 8.925 19.959 -2.011 1.00 0.00 O ATOM 418 CB LYS A 942 11.284 18.431 -1.571 1.00 0.00 C ATOM 419 CG LYS A 942 10.385 17.575 -2.465 1.00 0.00 C ATOM 420 CD LYS A 942 10.316 18.147 -3.883 1.00 0.00 C ATOM 421 CE LYS A 942 8.901 18.032 -4.453 1.00 0.00 C ATOM 422 NZ LYS A 942 8.798 18.763 -5.735 1.00 0.00 N ATOM 0 H LYS A 942 10.206 17.127 0.349 1.00 0.00 H new ATOM 0 HA LYS A 942 11.072 19.908 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 942 11.750 19.217 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 942 12.089 17.818 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.766 16.554 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 942 9.383 17.527 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.624 19.193 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 942 11.016 17.615 -4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.648 16.983 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.181 18.434 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.009 19.439 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.684 19.278 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 8.629 18.087 -6.507 1.00 0.00 H new ATOM 436 N ILE A 943 8.206 19.628 0.108 1.00 0.00 N ATOM 437 CA ILE A 943 6.862 20.117 -0.153 1.00 0.00 C ATOM 438 C ILE A 943 6.788 21.604 0.199 1.00 0.00 C ATOM 439 O ILE A 943 6.499 22.436 -0.660 1.00 0.00 O ATOM 440 CB ILE A 943 5.828 19.259 0.578 1.00 0.00 C ATOM 441 CG1 ILE A 943 5.152 18.278 -0.382 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.811 20.134 1.314 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.881 18.885 -0.981 1.00 0.00 C ATOM 0 H ILE A 943 8.371 19.325 1.068 1.00 0.00 H new ATOM 0 HA ILE A 943 6.623 20.028 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 943 6.347 18.666 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 943 5.843 18.011 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 943 4.905 17.357 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 943 4.087 19.499 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.328 20.756 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.292 20.771 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 943 3.420 18.167 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 943 3.182 19.129 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 943 4.135 19.792 -1.530 1.00 0.00 H new ATOM 455 N GLN A 944 7.054 21.894 1.464 1.00 0.00 N ATOM 456 CA GLN A 944 7.021 23.266 1.941 1.00 0.00 C ATOM 457 C GLN A 944 7.672 24.199 0.918 1.00 0.00 C ATOM 458 O GLN A 944 7.099 25.225 0.556 1.00 0.00 O ATOM 459 CB GLN A 944 7.701 23.389 3.306 1.00 0.00 C ATOM 460 CG GLN A 944 6.670 23.619 4.413 1.00 0.00 C ATOM 461 CD GLN A 944 7.222 24.554 5.491 1.00 0.00 C ATOM 462 OE1 GLN A 944 6.928 25.737 5.533 1.00 0.00 O ATOM 463 NE2 GLN A 944 8.038 23.959 6.357 1.00 0.00 N ATOM 0 H GLN A 944 7.294 21.202 2.174 1.00 0.00 H new ATOM 0 HA GLN A 944 5.979 23.563 2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 944 8.270 22.483 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.412 24.215 3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.762 24.046 3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 944 6.393 22.665 4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 944 8.242 22.964 6.264 1.00 0.00 H new ATOM 0 HE22 GLN A 944 8.459 24.498 7.114 1.00 0.00 H new ATOM 472 N PRO A 945 8.892 23.798 0.470 1.00 0.00 N ATOM 473 CA PRO A 945 9.627 24.587 -0.504 1.00 0.00 C ATOM 474 C PRO A 945 9.025 24.433 -1.902 1.00 0.00 C ATOM 475 O PRO A 945 8.824 25.420 -2.608 1.00 0.00 O ATOM 476 CB PRO A 945 11.059 24.085 -0.416 1.00 0.00 C ATOM 477 CG PRO A 945 10.984 22.727 0.262 1.00 0.00 C ATOM 478 CD PRO A 945 9.601 22.589 0.877 1.00 0.00 C ATOM 0 HA PRO A 945 9.580 25.657 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.505 24.003 -1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.680 24.774 0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 945 11.162 21.930 -0.460 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.753 22.640 1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 945 9.095 21.693 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.657 22.509 1.963 1.00 0.00 H new ATOM 486 N ALA A 946 8.753 23.186 -2.260 1.00 0.00 N ATOM 487 CA ALA A 946 8.177 22.890 -3.561 1.00 0.00 C ATOM 488 C ALA A 946 7.165 23.978 -3.925 1.00 0.00 C ATOM 489 O ALA A 946 6.230 24.239 -3.170 1.00 0.00 O ATOM 490 CB ALA A 946 7.550 21.495 -3.536 1.00 0.00 C ATOM 0 H ALA A 946 8.921 22.370 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 946 8.949 22.887 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 946 7.118 21.273 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.316 20.756 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.769 21.461 -2.777 1.00 0.00 H new ATOM 496 N PRO A 947 7.390 24.598 -5.114 1.00 0.00 N ATOM 497 CA PRO A 947 6.509 25.652 -5.588 1.00 0.00 C ATOM 498 C PRO A 947 5.189 25.072 -6.102 1.00 0.00 C ATOM 499 O PRO A 947 5.005 23.856 -6.117 1.00 0.00 O ATOM 500 CB PRO A 947 7.301 26.372 -6.666 1.00 0.00 C ATOM 501 CG PRO A 947 8.408 25.416 -7.080 1.00 0.00 C ATOM 502 CD PRO A 947 8.487 24.315 -6.035 1.00 0.00 C ATOM 0 HA PRO A 947 6.218 26.344 -4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.665 26.624 -7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.714 27.307 -6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 947 8.201 24.995 -8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 947 9.360 25.942 -7.153 1.00 0.00 H new ATOM 0 HD2 PRO A 947 8.379 23.330 -6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.448 24.325 -5.521 1.00 0.00 H new ATOM 510 N PRO A 948 4.282 25.994 -6.522 1.00 0.00 N ATOM 511 CA PRO A 948 2.985 25.587 -7.036 1.00 0.00 C ATOM 512 C PRO A 948 3.110 25.015 -8.449 1.00 0.00 C ATOM 513 O PRO A 948 2.176 24.397 -8.957 1.00 0.00 O ATOM 514 CB PRO A 948 2.128 26.841 -6.976 1.00 0.00 C ATOM 515 CG PRO A 948 3.099 28.006 -6.872 1.00 0.00 C ATOM 516 CD PRO A 948 4.466 27.442 -6.520 1.00 0.00 C ATOM 0 HA PRO A 948 2.534 24.784 -6.453 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.505 26.931 -7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.457 26.814 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 948 3.142 28.552 -7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.769 28.711 -6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 948 5.219 27.746 -7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.802 27.797 -5.546 1.00 0.00 H new ATOM 524 N GLU A 949 4.272 25.241 -9.044 1.00 0.00 N ATOM 525 CA GLU A 949 4.531 24.755 -10.389 1.00 0.00 C ATOM 526 C GLU A 949 5.173 23.368 -10.338 1.00 0.00 C ATOM 527 O GLU A 949 5.056 22.590 -11.284 1.00 0.00 O ATOM 528 CB GLU A 949 5.410 25.737 -11.167 1.00 0.00 C ATOM 529 CG GLU A 949 4.621 26.402 -12.297 1.00 0.00 C ATOM 530 CD GLU A 949 5.562 27.033 -13.325 1.00 0.00 C ATOM 531 OE1 GLU A 949 6.432 27.819 -12.891 1.00 0.00 O ATOM 532 OE2 GLU A 949 5.391 26.715 -14.522 1.00 0.00 O ATOM 0 H GLU A 949 5.045 25.754 -8.620 1.00 0.00 H new ATOM 0 HA GLU A 949 3.579 24.674 -10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.796 26.499 -10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 949 6.271 25.212 -11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 949 3.986 25.663 -12.786 1.00 0.00 H new ATOM 0 HG3 GLU A 949 3.962 27.166 -11.885 1.00 0.00 H new ATOM 539 N GLU A 950 5.837 23.099 -9.223 1.00 0.00 N ATOM 540 CA GLU A 950 6.498 21.818 -9.036 1.00 0.00 C ATOM 541 C GLU A 950 5.700 20.947 -8.064 1.00 0.00 C ATOM 542 O GLU A 950 5.975 19.756 -7.924 1.00 0.00 O ATOM 543 CB GLU A 950 7.935 22.009 -8.549 1.00 0.00 C ATOM 544 CG GLU A 950 8.924 21.278 -9.460 1.00 0.00 C ATOM 545 CD GLU A 950 9.801 22.271 -10.226 1.00 0.00 C ATOM 546 OE1 GLU A 950 9.220 23.059 -11.002 1.00 0.00 O ATOM 547 OE2 GLU A 950 11.032 22.218 -10.018 1.00 0.00 O ATOM 0 H GLU A 950 5.931 23.746 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 950 6.541 21.308 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 950 8.176 23.072 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 950 8.030 21.636 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.553 20.617 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.379 20.650 -10.165 1.00 0.00 H new ATOM 554 N TYR A 951 4.729 21.574 -7.416 1.00 0.00 N ATOM 555 CA TYR A 951 3.891 20.871 -6.461 1.00 0.00 C ATOM 556 C TYR A 951 2.651 20.289 -7.143 1.00 0.00 C ATOM 557 O TYR A 951 2.237 19.171 -6.839 1.00 0.00 O ATOM 558 CB TYR A 951 3.450 21.917 -5.436 1.00 0.00 C ATOM 559 CG TYR A 951 2.354 21.433 -4.484 1.00 0.00 C ATOM 560 CD1 TYR A 951 1.033 21.459 -4.882 1.00 0.00 C ATOM 561 CD2 TYR A 951 2.687 20.972 -3.227 1.00 0.00 C ATOM 562 CE1 TYR A 951 0.002 21.003 -3.986 1.00 0.00 C ATOM 563 CE2 TYR A 951 1.656 20.516 -2.331 1.00 0.00 C ATOM 564 CZ TYR A 951 0.364 20.554 -2.755 1.00 0.00 C ATOM 565 OH TYR A 951 -0.610 20.124 -1.908 1.00 0.00 O ATOM 0 H TYR A 951 4.504 22.562 -7.534 1.00 0.00 H new ATOM 0 HA TYR A 951 4.438 20.045 -6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 951 4.316 22.224 -4.850 1.00 0.00 H new ATOM 0 HB3 TYR A 951 3.093 22.801 -5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 951 0.772 21.821 -5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 951 3.721 20.953 -2.915 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -1.036 21.017 -4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 951 1.903 20.152 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.205 19.831 -1.065 1.00 0.00 H new ATOM 575 N VAL A 952 2.093 21.073 -8.054 1.00 0.00 N ATOM 576 CA VAL A 952 0.909 20.650 -8.782 1.00 0.00 C ATOM 577 C VAL A 952 1.107 19.217 -9.279 1.00 0.00 C ATOM 578 O VAL A 952 0.236 18.367 -9.096 1.00 0.00 O ATOM 579 CB VAL A 952 0.608 21.638 -9.911 1.00 0.00 C ATOM 580 CG1 VAL A 952 0.175 20.904 -11.181 1.00 0.00 C ATOM 581 CG2 VAL A 952 -0.447 22.658 -9.480 1.00 0.00 C ATOM 0 H VAL A 952 2.439 21.999 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 952 0.038 20.650 -8.127 1.00 0.00 H new ATOM 0 HB VAL A 952 1.526 22.181 -10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.033 21.629 -11.968 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.973 20.236 -11.505 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -0.724 20.323 -10.977 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -0.642 23.348 -10.301 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.368 22.139 -9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.083 23.215 -8.616 1.00 0.00 H new ATOM 591 N PRO A 953 2.287 18.986 -9.914 1.00 0.00 N ATOM 592 CA PRO A 953 2.610 17.670 -10.439 1.00 0.00 C ATOM 593 C PRO A 953 2.989 16.708 -9.311 1.00 0.00 C ATOM 594 O PRO A 953 2.490 15.585 -9.254 1.00 0.00 O ATOM 595 CB PRO A 953 3.743 17.906 -11.424 1.00 0.00 C ATOM 596 CG PRO A 953 4.323 19.267 -11.073 1.00 0.00 C ATOM 597 CD PRO A 953 3.342 19.968 -10.149 1.00 0.00 C ATOM 0 HA PRO A 953 1.763 17.195 -10.934 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.500 17.126 -11.343 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.378 17.890 -12.451 1.00 0.00 H new ATOM 0 HG2 PRO A 953 5.292 19.155 -10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.486 19.857 -11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.821 20.266 -9.216 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.945 20.874 -10.607 1.00 0.00 H new ATOM 605 N MET A 954 3.868 17.184 -8.441 1.00 0.00 N ATOM 606 CA MET A 954 4.319 16.380 -7.318 1.00 0.00 C ATOM 607 C MET A 954 3.191 15.490 -6.792 1.00 0.00 C ATOM 608 O MET A 954 3.348 14.273 -6.698 1.00 0.00 O ATOM 609 CB MET A 954 4.810 17.298 -6.197 1.00 0.00 C ATOM 610 CG MET A 954 6.015 16.690 -5.477 1.00 0.00 C ATOM 611 SD MET A 954 5.898 16.998 -3.723 1.00 0.00 S ATOM 612 CE MET A 954 5.788 18.779 -3.728 1.00 0.00 C ATOM 0 H MET A 954 4.280 18.116 -8.491 1.00 0.00 H new ATOM 0 HA MET A 954 5.133 15.740 -7.658 1.00 0.00 H new ATOM 0 HB2 MET A 954 5.081 18.269 -6.610 1.00 0.00 H new ATOM 0 HB3 MET A 954 4.004 17.469 -5.483 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.057 15.617 -5.664 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.937 17.118 -5.869 1.00 0.00 H new ATOM 0 HE1 MET A 954 6.351 19.181 -2.885 1.00 0.00 H new ATOM 0 HE2 MET A 954 6.202 19.166 -4.659 1.00 0.00 H new ATOM 0 HE3 MET A 954 4.744 19.079 -3.643 1.00 0.00 H new ATOM 622 N VAL A 955 2.079 16.131 -6.464 1.00 0.00 N ATOM 623 CA VAL A 955 0.926 15.412 -5.950 1.00 0.00 C ATOM 624 C VAL A 955 0.373 14.495 -7.042 1.00 0.00 C ATOM 625 O VAL A 955 0.207 13.296 -6.825 1.00 0.00 O ATOM 626 CB VAL A 955 -0.113 16.402 -5.418 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.464 15.717 -5.204 1.00 0.00 C ATOM 628 CG2 VAL A 955 0.374 17.070 -4.131 1.00 0.00 C ATOM 0 H VAL A 955 1.952 17.140 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 955 1.214 14.780 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.248 17.181 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.184 16.443 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -1.821 15.312 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.351 14.908 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.383 17.768 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.552 16.309 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 955 1.300 17.609 -4.329 1.00 0.00 H new ATOM 638 N LYS A 956 0.104 15.094 -8.193 1.00 0.00 N ATOM 639 CA LYS A 956 -0.426 14.346 -9.320 1.00 0.00 C ATOM 640 C LYS A 956 0.330 13.022 -9.449 1.00 0.00 C ATOM 641 O LYS A 956 -0.265 11.990 -9.756 1.00 0.00 O ATOM 642 CB LYS A 956 -0.397 15.197 -10.590 1.00 0.00 C ATOM 643 CG LYS A 956 -1.589 16.156 -10.636 1.00 0.00 C ATOM 644 CD LYS A 956 -2.771 15.525 -11.373 1.00 0.00 C ATOM 645 CE LYS A 956 -3.897 15.169 -10.400 1.00 0.00 C ATOM 646 NZ LYS A 956 -5.091 16.005 -10.660 1.00 0.00 N ATOM 0 H LYS A 956 0.243 16.089 -8.369 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.475 14.100 -9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.533 15.765 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.413 14.549 -11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.887 16.420 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -1.297 17.081 -11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -3.144 16.216 -12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.441 14.628 -11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -4.155 14.115 -10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -3.559 15.316 -9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -5.845 15.750 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -4.845 17.008 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -5.422 15.844 -11.633 1.00 0.00 H new ATOM 660 N GLU A 957 1.631 13.095 -9.208 1.00 0.00 N ATOM 661 CA GLU A 957 2.475 11.915 -9.294 1.00 0.00 C ATOM 662 C GLU A 957 1.989 10.843 -8.316 1.00 0.00 C ATOM 663 O GLU A 957 1.597 9.753 -8.730 1.00 0.00 O ATOM 664 CB GLU A 957 3.941 12.270 -9.034 1.00 0.00 C ATOM 665 CG GLU A 957 4.729 12.336 -10.344 1.00 0.00 C ATOM 666 CD GLU A 957 4.774 13.767 -10.885 1.00 0.00 C ATOM 667 OE1 GLU A 957 3.716 14.226 -11.365 1.00 0.00 O ATOM 668 OE2 GLU A 957 5.867 14.369 -10.806 1.00 0.00 O ATOM 0 H GLU A 957 2.121 13.953 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 957 2.406 11.515 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 957 4.001 13.230 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.388 11.527 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 957 5.744 11.973 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 957 4.270 11.678 -11.082 1.00 0.00 H new ATOM 675 N VAL A 958 2.032 11.189 -7.038 1.00 0.00 N ATOM 676 CA VAL A 958 1.601 10.270 -5.999 1.00 0.00 C ATOM 677 C VAL A 958 0.351 9.524 -6.470 1.00 0.00 C ATOM 678 O VAL A 958 0.210 8.326 -6.228 1.00 0.00 O ATOM 679 CB VAL A 958 1.385 11.027 -4.687 1.00 0.00 C ATOM 680 CG1 VAL A 958 -0.095 11.355 -4.480 1.00 0.00 C ATOM 681 CG2 VAL A 958 1.944 10.238 -3.501 1.00 0.00 C ATOM 0 H VAL A 958 2.359 12.094 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 958 2.372 9.524 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 958 1.930 11.969 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.220 11.893 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.449 11.975 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -0.672 10.431 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 958 1.778 10.798 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 958 1.440 9.274 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 958 3.013 10.079 -3.641 1.00 0.00 H new ATOM 691 N GLY A 959 -0.525 10.263 -7.136 1.00 0.00 N ATOM 692 CA GLY A 959 -1.758 9.686 -7.643 1.00 0.00 C ATOM 693 C GLY A 959 -1.469 8.527 -8.600 1.00 0.00 C ATOM 694 O GLY A 959 -2.025 7.441 -8.451 1.00 0.00 O ATOM 0 H GLY A 959 -0.405 11.256 -7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.367 9.332 -6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.337 10.452 -8.159 1.00 0.00 H new ATOM 698 N LEU A 960 -0.598 8.799 -9.561 1.00 0.00 N ATOM 699 CA LEU A 960 -0.228 7.793 -10.542 1.00 0.00 C ATOM 700 C LEU A 960 0.216 6.521 -9.818 1.00 0.00 C ATOM 701 O LEU A 960 -0.245 5.427 -10.140 1.00 0.00 O ATOM 702 CB LEU A 960 0.820 8.348 -11.509 1.00 0.00 C ATOM 703 CG LEU A 960 0.574 8.073 -12.994 1.00 0.00 C ATOM 704 CD1 LEU A 960 1.660 8.718 -13.858 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.447 6.572 -13.260 1.00 0.00 C ATOM 0 H LEU A 960 -0.138 9.701 -9.681 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.087 7.527 -11.158 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.883 9.427 -11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.791 7.933 -11.239 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.375 8.531 -13.274 1.00 0.00 H new ATOM 0 HD11 LEU A 960 1.462 8.507 -14.909 1.00 0.00 H new ATOM 0 HD12 LEU A 960 1.660 9.796 -13.698 1.00 0.00 H new ATOM 0 HD13 LEU A 960 2.633 8.310 -13.584 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.273 6.404 -14.323 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.367 6.070 -12.960 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.389 6.170 -12.687 1.00 0.00 H new ATOM 717 N ALA A 961 1.107 6.706 -8.855 1.00 0.00 N ATOM 718 CA ALA A 961 1.618 5.586 -8.083 1.00 0.00 C ATOM 719 C ALA A 961 0.445 4.769 -7.540 1.00 0.00 C ATOM 720 O ALA A 961 0.373 3.560 -7.756 1.00 0.00 O ATOM 721 CB ALA A 961 2.530 6.107 -6.971 1.00 0.00 C ATOM 0 H ALA A 961 1.488 7.615 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 961 2.215 4.926 -8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.914 5.267 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.363 6.655 -7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 961 1.964 6.770 -6.317 1.00 0.00 H new ATOM 727 N LEU A 962 -0.446 5.461 -6.845 1.00 0.00 N ATOM 728 CA LEU A 962 -1.613 4.814 -6.269 1.00 0.00 C ATOM 729 C LEU A 962 -2.387 4.091 -7.373 1.00 0.00 C ATOM 730 O LEU A 962 -2.735 2.920 -7.228 1.00 0.00 O ATOM 731 CB LEU A 962 -2.455 5.825 -5.488 1.00 0.00 C ATOM 732 CG LEU A 962 -1.780 6.464 -4.273 1.00 0.00 C ATOM 733 CD1 LEU A 962 -2.060 7.967 -4.217 1.00 0.00 C ATOM 734 CD2 LEU A 962 -2.193 5.756 -2.981 1.00 0.00 C ATOM 0 H LEU A 962 -0.383 6.464 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.311 4.058 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.758 6.619 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.365 5.328 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 962 -0.702 6.341 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.569 8.396 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -1.676 8.442 -5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -3.135 8.135 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.699 6.230 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.274 5.826 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.901 4.707 -3.031 1.00 0.00 H new ATOM 746 N ARG A 963 -2.634 4.819 -8.453 1.00 0.00 N ATOM 747 CA ARG A 963 -3.360 4.262 -9.581 1.00 0.00 C ATOM 748 C ARG A 963 -2.769 2.907 -9.976 1.00 0.00 C ATOM 749 O ARG A 963 -3.489 1.913 -10.061 1.00 0.00 O ATOM 750 CB ARG A 963 -3.312 5.203 -10.786 1.00 0.00 C ATOM 751 CG ARG A 963 -3.960 6.549 -10.457 1.00 0.00 C ATOM 752 CD ARG A 963 -5.403 6.601 -10.964 1.00 0.00 C ATOM 753 NE ARG A 963 -5.685 7.929 -11.553 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.276 8.314 -12.769 1.00 0.00 C ATOM 755 NH1 ARG A 963 -4.564 7.474 -13.533 1.00 0.00 N ATOM 756 NH2 ARG A 963 -5.579 9.538 -13.222 1.00 0.00 N ATOM 0 H ARG A 963 -2.344 5.790 -8.570 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.399 4.134 -9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -2.277 5.358 -11.089 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -3.826 4.745 -11.631 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -3.943 6.711 -9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -3.382 7.355 -10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -5.564 5.822 -11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -6.093 6.404 -10.143 1.00 0.00 H new ATOM 0 HE ARG A 963 -6.225 8.593 -10.998 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -4.334 6.542 -13.188 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -4.252 7.767 -14.459 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -6.121 10.177 -12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -5.267 9.831 -14.148 1.00 0.00 H new ATOM 770 N THR A 964 -1.465 2.911 -10.207 1.00 0.00 N ATOM 771 CA THR A 964 -0.769 1.695 -10.591 1.00 0.00 C ATOM 772 C THR A 964 -0.876 0.646 -9.482 1.00 0.00 C ATOM 773 O THR A 964 -1.092 -0.533 -9.757 1.00 0.00 O ATOM 774 CB THR A 964 0.674 2.066 -10.939 1.00 0.00 C ATOM 775 OG1 THR A 964 0.575 2.681 -12.221 1.00 0.00 O ATOM 776 CG2 THR A 964 1.552 0.836 -11.183 1.00 0.00 C ATOM 0 H THR A 964 -0.872 3.738 -10.136 1.00 0.00 H new ATOM 0 HA THR A 964 -1.224 1.240 -11.471 1.00 0.00 H new ATOM 0 HB THR A 964 1.100 2.662 -10.132 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.467 2.955 -12.522 1.00 0.00 H new ATOM 0 HG21 THR A 964 2.566 1.155 -11.426 1.00 0.00 H new ATOM 0 HG22 THR A 964 1.571 0.219 -10.285 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.145 0.257 -12.012 1.00 0.00 H new ATOM 784 N LEU A 965 -0.721 1.114 -8.252 1.00 0.00 N ATOM 785 CA LEU A 965 -0.797 0.232 -7.101 1.00 0.00 C ATOM 786 C LEU A 965 -2.090 -0.584 -7.174 1.00 0.00 C ATOM 787 O LEU A 965 -2.064 -1.807 -7.045 1.00 0.00 O ATOM 788 CB LEU A 965 -0.646 1.029 -5.803 1.00 0.00 C ATOM 789 CG LEU A 965 -0.407 0.207 -4.535 1.00 0.00 C ATOM 790 CD1 LEU A 965 -1.715 -0.020 -3.774 1.00 0.00 C ATOM 791 CD2 LEU A 965 0.303 -1.109 -4.860 1.00 0.00 C ATOM 0 H LEU A 965 -0.543 2.093 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 965 0.030 -0.478 -7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.184 1.726 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.546 1.627 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 965 0.253 0.775 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.517 -0.607 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -2.143 0.942 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.418 -0.557 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 965 0.461 -1.674 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.311 -1.694 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 965 1.266 -0.898 -5.326 1.00 0.00 H new ATOM 803 N LEU A 966 -3.189 0.126 -7.380 1.00 0.00 N ATOM 804 CA LEU A 966 -4.489 -0.517 -7.471 1.00 0.00 C ATOM 805 C LEU A 966 -4.395 -1.715 -8.418 1.00 0.00 C ATOM 806 O LEU A 966 -4.697 -2.842 -8.030 1.00 0.00 O ATOM 807 CB LEU A 966 -5.562 0.499 -7.869 1.00 0.00 C ATOM 808 CG LEU A 966 -6.162 1.323 -6.727 1.00 0.00 C ATOM 809 CD1 LEU A 966 -5.139 2.314 -6.170 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.451 2.017 -7.171 1.00 0.00 C ATOM 0 H LEU A 966 -3.206 1.140 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.793 -0.902 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -5.132 1.185 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -6.370 -0.033 -8.370 1.00 0.00 H new ATOM 0 HG LEU A 966 -6.425 0.644 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.591 2.887 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -4.274 1.770 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -4.822 2.993 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -7.857 2.596 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.236 2.683 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -8.179 1.268 -7.481 1.00 0.00 H new ATOM 822 N ALA A 967 -3.975 -1.429 -9.642 1.00 0.00 N ATOM 823 CA ALA A 967 -3.838 -2.469 -10.647 1.00 0.00 C ATOM 824 C ALA A 967 -2.869 -3.539 -10.139 1.00 0.00 C ATOM 825 O ALA A 967 -3.155 -4.732 -10.227 1.00 0.00 O ATOM 826 CB ALA A 967 -3.379 -1.846 -11.967 1.00 0.00 C ATOM 0 H ALA A 967 -3.725 -0.493 -9.960 1.00 0.00 H new ATOM 0 HA ALA A 967 -4.797 -2.954 -10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -3.276 -2.626 -12.721 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -4.116 -1.115 -12.300 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.418 -1.353 -11.822 1.00 0.00 H new ATOM 832 N THR A 968 -1.744 -3.073 -9.619 1.00 0.00 N ATOM 833 CA THR A 968 -0.731 -3.975 -9.096 1.00 0.00 C ATOM 834 C THR A 968 -1.344 -4.925 -8.065 1.00 0.00 C ATOM 835 O THR A 968 -1.077 -6.125 -8.086 1.00 0.00 O ATOM 836 CB THR A 968 0.414 -3.128 -8.538 1.00 0.00 C ATOM 837 OG1 THR A 968 0.662 -2.164 -9.558 1.00 0.00 O ATOM 838 CG2 THR A 968 1.725 -3.910 -8.437 1.00 0.00 C ATOM 0 H THR A 968 -1.511 -2.083 -9.548 1.00 0.00 H new ATOM 0 HA THR A 968 -0.328 -4.615 -9.881 1.00 0.00 H new ATOM 0 HB THR A 968 0.140 -2.751 -7.553 1.00 0.00 H new ATOM 0 HG1 THR A 968 0.124 -1.362 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.505 -3.263 -8.035 1.00 0.00 H new ATOM 0 HG22 THR A 968 1.588 -4.766 -7.776 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.018 -4.259 -9.427 1.00 0.00 H new ATOM 846 N VAL A 969 -2.153 -4.350 -7.186 1.00 0.00 N ATOM 847 CA VAL A 969 -2.805 -5.131 -6.148 1.00 0.00 C ATOM 848 C VAL A 969 -3.591 -6.274 -6.794 1.00 0.00 C ATOM 849 O VAL A 969 -3.511 -7.417 -6.346 1.00 0.00 O ATOM 850 CB VAL A 969 -3.677 -4.221 -5.280 1.00 0.00 C ATOM 851 CG1 VAL A 969 -4.228 -4.981 -4.072 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.903 -2.977 -4.840 1.00 0.00 C ATOM 0 H VAL A 969 -2.371 -3.354 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 969 -2.065 -5.580 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 969 -4.523 -3.892 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.844 -4.312 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.832 -5.821 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.401 -5.353 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -3.546 -2.347 -4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.029 -3.278 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.582 -2.418 -5.719 1.00 0.00 H new ATOM 862 N ASP A 970 -4.332 -5.926 -7.835 1.00 0.00 N ATOM 863 CA ASP A 970 -5.132 -6.908 -8.547 1.00 0.00 C ATOM 864 C ASP A 970 -4.265 -8.126 -8.872 1.00 0.00 C ATOM 865 O ASP A 970 -4.727 -9.263 -8.787 1.00 0.00 O ATOM 866 CB ASP A 970 -5.660 -6.339 -9.865 1.00 0.00 C ATOM 867 CG ASP A 970 -6.650 -7.239 -10.608 1.00 0.00 C ATOM 868 OD1 ASP A 970 -7.312 -8.044 -9.919 1.00 0.00 O ATOM 869 OD2 ASP A 970 -6.722 -7.100 -11.848 1.00 0.00 O ATOM 0 H ASP A 970 -4.395 -4.977 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.973 -7.182 -7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -6.143 -5.383 -9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.813 -6.137 -10.521 1.00 0.00 H new ATOM 874 N GLU A 971 -3.022 -7.847 -9.238 1.00 0.00 N ATOM 875 CA GLU A 971 -2.086 -8.906 -9.577 1.00 0.00 C ATOM 876 C GLU A 971 -1.632 -9.637 -8.312 1.00 0.00 C ATOM 877 O GLU A 971 -1.216 -10.793 -8.375 1.00 0.00 O ATOM 878 CB GLU A 971 -0.888 -8.351 -10.350 1.00 0.00 C ATOM 879 CG GLU A 971 -1.249 -8.098 -11.815 1.00 0.00 C ATOM 880 CD GLU A 971 -0.041 -8.325 -12.725 1.00 0.00 C ATOM 881 OE1 GLU A 971 0.673 -9.322 -12.483 1.00 0.00 O ATOM 882 OE2 GLU A 971 0.142 -7.496 -13.642 1.00 0.00 O ATOM 0 H GLU A 971 -2.642 -6.903 -9.307 1.00 0.00 H new ATOM 0 HA GLU A 971 -2.594 -9.621 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -0.552 -7.422 -9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -0.057 -9.054 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -2.062 -8.760 -12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -1.611 -7.076 -11.933 1.00 0.00 H new ATOM 889 N SER A 972 -1.727 -8.933 -7.194 1.00 0.00 N ATOM 890 CA SER A 972 -1.331 -9.501 -5.916 1.00 0.00 C ATOM 891 C SER A 972 -2.484 -10.316 -5.326 1.00 0.00 C ATOM 892 O SER A 972 -2.258 -11.291 -4.611 1.00 0.00 O ATOM 893 CB SER A 972 -0.898 -8.408 -4.938 1.00 0.00 C ATOM 894 OG SER A 972 0.325 -8.732 -4.282 1.00 0.00 O ATOM 0 H SER A 972 -2.072 -7.974 -7.146 1.00 0.00 H new ATOM 0 HA SER A 972 -0.478 -10.159 -6.083 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.783 -7.466 -5.475 1.00 0.00 H new ATOM 0 HB3 SER A 972 -1.680 -8.257 -4.194 1.00 0.00 H new ATOM 0 HG SER A 972 0.568 -8.008 -3.667 1.00 0.00 H new ATOM 900 N LEU A 973 -3.695 -9.886 -5.647 1.00 0.00 N ATOM 901 CA LEU A 973 -4.884 -10.563 -5.157 1.00 0.00 C ATOM 902 C LEU A 973 -4.643 -12.074 -5.161 1.00 0.00 C ATOM 903 O LEU A 973 -4.846 -12.741 -4.148 1.00 0.00 O ATOM 904 CB LEU A 973 -6.114 -10.134 -5.960 1.00 0.00 C ATOM 905 CG LEU A 973 -7.316 -9.657 -5.143 1.00 0.00 C ATOM 906 CD1 LEU A 973 -8.629 -10.126 -5.773 1.00 0.00 C ATOM 907 CD2 LEU A 973 -7.193 -10.094 -3.682 1.00 0.00 C ATOM 0 H LEU A 973 -3.879 -9.077 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 973 -5.089 -10.275 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.819 -9.333 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -6.431 -10.974 -6.578 1.00 0.00 H new ATOM 0 HG LEU A 973 -7.326 -8.567 -5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -9.467 -9.773 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -8.712 -9.724 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.645 -11.215 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -8.060 -9.742 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -7.145 -11.182 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -6.286 -9.670 -3.250 1.00 0.00 H new ATOM 919 N PRO A 974 -4.202 -12.583 -6.343 1.00 0.00 N ATOM 920 CA PRO A 974 -3.931 -14.002 -6.492 1.00 0.00 C ATOM 921 C PRO A 974 -2.623 -14.387 -5.798 1.00 0.00 C ATOM 922 O PRO A 974 -2.517 -15.466 -5.219 1.00 0.00 O ATOM 923 CB PRO A 974 -3.901 -14.242 -7.992 1.00 0.00 C ATOM 924 CG PRO A 974 -3.693 -12.877 -8.628 1.00 0.00 C ATOM 925 CD PRO A 974 -3.951 -11.823 -7.564 1.00 0.00 C ATOM 0 HA PRO A 974 -4.688 -14.626 -6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -3.096 -14.926 -8.262 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.832 -14.695 -8.334 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.678 -12.787 -9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -4.370 -12.742 -9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -3.094 -11.159 -7.448 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.805 -11.198 -7.824 1.00 0.00 H new ATOM 933 N VAL A 975 -1.659 -13.481 -5.881 1.00 0.00 N ATOM 934 CA VAL A 975 -0.361 -13.712 -5.268 1.00 0.00 C ATOM 935 C VAL A 975 -0.560 -14.201 -3.832 1.00 0.00 C ATOM 936 O VAL A 975 0.225 -15.005 -3.333 1.00 0.00 O ATOM 937 CB VAL A 975 0.491 -12.445 -5.356 1.00 0.00 C ATOM 938 CG1 VAL A 975 1.756 -12.575 -4.505 1.00 0.00 C ATOM 939 CG2 VAL A 975 0.840 -12.118 -6.809 1.00 0.00 C ATOM 0 H VAL A 975 -1.750 -12.587 -6.363 1.00 0.00 H new ATOM 0 HA VAL A 975 0.182 -14.491 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 975 -0.097 -11.618 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.344 -11.661 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.479 -12.738 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.348 -13.419 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 975 1.446 -11.213 -6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.400 -12.946 -7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -0.077 -11.962 -7.377 1.00 0.00 H new ATOM 949 N LEU A 976 -1.613 -13.695 -3.209 1.00 0.00 N ATOM 950 CA LEU A 976 -1.925 -14.070 -1.840 1.00 0.00 C ATOM 951 C LEU A 976 -3.080 -15.073 -1.841 1.00 0.00 C ATOM 952 O LEU A 976 -3.915 -15.063 -2.744 1.00 0.00 O ATOM 953 CB LEU A 976 -2.192 -12.825 -0.991 1.00 0.00 C ATOM 954 CG LEU A 976 -1.283 -11.624 -1.257 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.050 -12.069 -1.862 1.00 0.00 C ATOM 956 CD2 LEU A 976 -1.989 -10.584 -2.129 1.00 0.00 C ATOM 0 H LEU A 976 -2.262 -13.028 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 976 -1.072 -14.566 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -3.225 -12.516 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.100 -13.100 0.060 1.00 0.00 H new ATOM 0 HG LEU A 976 -1.061 -11.146 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 976 0.678 -11.196 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.556 -12.744 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -0.132 -12.585 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -1.321 -9.741 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -2.261 -11.034 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -2.889 -10.235 -1.623 1.00 0.00 H new ATOM 968 N PRO A 977 -3.090 -15.939 -0.792 1.00 0.00 N ATOM 969 CA PRO A 977 -4.129 -16.947 -0.664 1.00 0.00 C ATOM 970 C PRO A 977 -5.447 -16.320 -0.204 1.00 0.00 C ATOM 971 O PRO A 977 -5.448 -15.372 0.579 1.00 0.00 O ATOM 972 CB PRO A 977 -3.575 -17.958 0.327 1.00 0.00 C ATOM 973 CG PRO A 977 -2.454 -17.247 1.066 1.00 0.00 C ATOM 974 CD PRO A 977 -2.117 -15.981 0.295 1.00 0.00 C ATOM 0 HA PRO A 977 -4.368 -17.428 -1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.349 -18.291 1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.203 -18.845 -0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -2.761 -17.004 2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -1.578 -17.892 1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.194 -15.098 0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.097 -16.010 -0.088 1.00 0.00 H new ATOM 982 N ALA A 978 -6.538 -16.875 -0.712 1.00 0.00 N ATOM 983 CA ALA A 978 -7.860 -16.383 -0.364 1.00 0.00 C ATOM 984 C ALA A 978 -8.001 -16.346 1.159 1.00 0.00 C ATOM 985 O ALA A 978 -8.036 -17.391 1.808 1.00 0.00 O ATOM 986 CB ALA A 978 -8.923 -17.261 -1.027 1.00 0.00 C ATOM 0 H ALA A 978 -6.533 -17.661 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.001 -15.367 -0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -9.915 -16.892 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -8.798 -17.230 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.815 -18.288 -0.679 1.00 0.00 H new ATOM 992 N SER A 979 -8.077 -15.133 1.685 1.00 0.00 N ATOM 993 CA SER A 979 -8.213 -14.946 3.120 1.00 0.00 C ATOM 994 C SER A 979 -7.968 -13.481 3.483 1.00 0.00 C ATOM 995 O SER A 979 -8.525 -12.977 4.457 1.00 0.00 O ATOM 996 CB SER A 979 -7.248 -15.852 3.887 1.00 0.00 C ATOM 997 OG SER A 979 -5.934 -15.819 3.337 1.00 0.00 O ATOM 0 H SER A 979 -8.047 -14.269 1.143 1.00 0.00 H new ATOM 0 HA SER A 979 -9.229 -15.218 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 979 -7.212 -15.542 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 979 -7.622 -16.876 3.871 1.00 0.00 H new ATOM 0 HG SER A 979 -5.276 -15.817 4.063 1.00 0.00 H new ATOM 1003 N THR A 980 -7.133 -12.837 2.680 1.00 0.00 N ATOM 1004 CA THR A 980 -6.807 -11.439 2.904 1.00 0.00 C ATOM 1005 C THR A 980 -7.456 -10.561 1.832 1.00 0.00 C ATOM 1006 O THR A 980 -7.298 -9.342 1.844 1.00 0.00 O ATOM 1007 CB THR A 980 -5.284 -11.311 2.954 1.00 0.00 C ATOM 1008 OG1 THR A 980 -5.057 -9.911 3.094 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.622 -11.665 1.621 1.00 0.00 C ATOM 0 H THR A 980 -6.672 -13.258 1.873 1.00 0.00 H new ATOM 0 HA THR A 980 -7.209 -11.087 3.854 1.00 0.00 H new ATOM 0 HB THR A 980 -4.891 -11.960 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 980 -5.812 -9.417 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.541 -11.557 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.863 -12.695 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.989 -10.995 0.843 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.173 -11.216 0.931 1.00 0.00 N ATOM 1018 CA HIS A 981 -8.846 -10.511 -0.147 1.00 0.00 C ATOM 1019 C HIS A 981 -9.652 -9.345 0.429 1.00 0.00 C ATOM 1020 O HIS A 981 -9.258 -8.187 0.294 1.00 0.00 O ATOM 1021 CB HIS A 981 -9.702 -11.472 -0.974 1.00 0.00 C ATOM 1022 CG HIS A 981 -8.927 -12.246 -2.013 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -9.322 -12.326 -3.337 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -7.776 -12.971 -1.910 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -8.442 -13.069 -3.992 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -7.485 -13.469 -3.106 1.00 0.00 N ATOM 0 H HIS A 981 -8.303 -12.228 0.925 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.107 -10.095 -0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.192 -12.176 -0.302 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -10.490 -10.905 -1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -7.199 -13.115 -1.008 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -8.476 -13.315 -5.043 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -6.679 -14.054 -3.326 1.00 0.00 H new ATOM 1034 N ARG A 982 -10.766 -9.690 1.057 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.630 -8.686 1.653 1.00 0.00 C ATOM 1036 C ARG A 982 -10.794 -7.555 2.255 1.00 0.00 C ATOM 1037 O ARG A 982 -10.831 -6.425 1.770 1.00 0.00 O ATOM 1038 CB ARG A 982 -12.511 -9.296 2.746 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.983 -9.292 2.328 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.678 -10.586 2.758 1.00 0.00 C ATOM 1041 NE ARG A 982 -16.021 -10.283 3.301 1.00 0.00 N ATOM 1042 CZ ARG A 982 -16.242 -9.486 4.356 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -15.211 -8.907 4.986 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -17.495 -9.267 4.779 1.00 0.00 N ATOM 0 H ARG A 982 -11.090 -10.651 1.166 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.270 -8.290 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -12.190 -10.317 2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -12.390 -8.733 3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -14.490 -8.437 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -14.058 -9.177 1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -14.765 -11.262 1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -14.079 -11.097 3.512 1.00 0.00 H new ATOM 0 HE ARG A 982 -16.829 -10.707 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -14.258 -9.073 4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -15.379 -8.301 5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -18.280 -9.707 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -17.664 -8.661 5.582 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.060 -7.898 3.303 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.216 -6.925 3.976 1.00 0.00 C ATOM 1060 C GLU A 983 -8.424 -6.110 2.952 1.00 0.00 C ATOM 1061 O GLU A 983 -8.315 -4.891 3.074 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.279 -7.609 4.974 1.00 0.00 C ATOM 1063 CG GLU A 983 -9.025 -7.992 6.254 1.00 0.00 C ATOM 1064 CD GLU A 983 -8.087 -8.668 7.255 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -7.963 -9.909 7.168 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -7.514 -7.929 8.084 1.00 0.00 O ATOM 0 H GLU A 983 -10.032 -8.836 3.703 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.857 -6.244 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -7.847 -8.501 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.452 -6.942 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -9.462 -7.101 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -9.849 -8.663 6.012 1.00 0.00 H new ATOM 1073 N ILE A 984 -7.893 -6.816 1.964 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.116 -6.173 0.919 1.00 0.00 C ATOM 1075 C ILE A 984 -8.009 -5.194 0.153 1.00 0.00 C ATOM 1076 O ILE A 984 -7.584 -4.087 -0.174 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.446 -7.220 0.027 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.056 -7.581 0.553 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.405 -6.755 -1.430 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.608 -8.947 0.030 1.00 0.00 C ATOM 0 H ILE A 984 -7.986 -7.827 1.866 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.303 -5.591 1.354 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.047 -8.129 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.339 -6.818 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.067 -7.591 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.924 -7.518 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -7.421 -6.590 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.841 -5.825 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.617 -9.178 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.314 -9.711 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.574 -8.926 -1.059 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.229 -5.638 -0.110 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.185 -4.815 -0.831 1.00 0.00 C ATOM 1094 C GLU A 985 -10.466 -3.526 -0.056 1.00 0.00 C ATOM 1095 O GLU A 985 -10.484 -2.441 -0.635 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.479 -5.586 -1.099 1.00 0.00 C ATOM 1097 CG GLU A 985 -11.551 -6.044 -2.557 1.00 0.00 C ATOM 1098 CD GLU A 985 -10.750 -7.330 -2.768 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -9.504 -7.228 -2.773 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -11.401 -8.386 -2.919 1.00 0.00 O ATOM 0 H GLU A 985 -9.578 -6.557 0.163 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.752 -4.549 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.534 -6.452 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.337 -4.955 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -12.591 -6.209 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -11.164 -5.260 -3.208 1.00 0.00 H new ATOM 1107 N MET A 986 -10.678 -3.687 1.242 1.00 0.00 N ATOM 1108 CA MET A 986 -10.958 -2.549 2.101 1.00 0.00 C ATOM 1109 C MET A 986 -9.706 -1.693 2.301 1.00 0.00 C ATOM 1110 O MET A 986 -9.803 -0.518 2.654 1.00 0.00 O ATOM 1111 CB MET A 986 -11.458 -3.046 3.459 1.00 0.00 C ATOM 1112 CG MET A 986 -12.979 -3.206 3.458 1.00 0.00 C ATOM 1113 SD MET A 986 -13.422 -4.835 4.039 1.00 0.00 S ATOM 1114 CE MET A 986 -14.141 -5.510 2.551 1.00 0.00 C ATOM 0 H MET A 986 -10.661 -4.588 1.720 1.00 0.00 H new ATOM 0 HA MET A 986 -11.723 -1.936 1.624 1.00 0.00 H new ATOM 0 HB2 MET A 986 -10.989 -4.001 3.696 1.00 0.00 H new ATOM 0 HB3 MET A 986 -11.163 -2.343 4.238 1.00 0.00 H new ATOM 0 HG2 MET A 986 -13.433 -2.448 4.096 1.00 0.00 H new ATOM 0 HG3 MET A 986 -13.369 -3.051 2.452 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.934 -6.210 2.815 1.00 0.00 H new ATOM 0 HE2 MET A 986 -14.556 -4.702 1.949 1.00 0.00 H new ATOM 0 HE3 MET A 986 -13.373 -6.031 1.980 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.559 -2.313 2.066 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.290 -1.622 2.215 1.00 0.00 C ATOM 1126 C ALA A 987 -7.107 -0.644 1.053 1.00 0.00 C ATOM 1127 O ALA A 987 -6.453 0.388 1.202 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.157 -2.647 2.297 1.00 0.00 C ATOM 0 H ALA A 987 -8.482 -3.287 1.773 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.275 -1.044 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.205 -2.129 2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.318 -3.299 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.140 -3.244 1.385 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.696 -1.002 -0.078 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.607 -0.168 -1.265 1.00 0.00 C ATOM 1136 C GLN A 988 -8.492 1.071 -1.112 1.00 0.00 C ATOM 1137 O GLN A 988 -8.077 2.180 -1.444 1.00 0.00 O ATOM 1138 CB GLN A 988 -7.982 -0.958 -2.520 1.00 0.00 C ATOM 1139 CG GLN A 988 -6.980 -2.085 -2.779 1.00 0.00 C ATOM 1140 CD GLN A 988 -6.076 -1.753 -3.968 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -6.217 -2.287 -5.056 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -5.143 -0.843 -3.701 1.00 0.00 N ATOM 0 H GLN A 988 -8.237 -1.858 -0.198 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.574 0.160 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -8.982 -1.375 -2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -8.012 -0.289 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -6.372 -2.247 -1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -7.515 -3.015 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -5.080 -0.435 -2.768 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -4.490 -0.553 -4.429 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.696 0.840 -0.608 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.643 1.923 -0.407 1.00 0.00 C ATOM 1153 C LYS A 989 -10.075 2.907 0.618 1.00 0.00 C ATOM 1154 O LYS A 989 -10.405 4.092 0.594 1.00 0.00 O ATOM 1155 CB LYS A 989 -12.018 1.368 -0.030 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.121 2.385 -0.332 1.00 0.00 C ATOM 1157 CD LYS A 989 -14.220 2.334 0.732 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.596 2.583 0.110 1.00 0.00 C ATOM 1159 NZ LYS A 989 -15.793 4.027 -0.149 1.00 0.00 N ATOM 0 H LYS A 989 -10.037 -0.081 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.791 2.477 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.206 0.447 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.033 1.113 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -12.695 3.388 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -13.550 2.181 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -14.210 1.362 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -14.023 3.082 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.687 2.024 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -16.376 2.218 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -16.731 4.179 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -15.727 4.552 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -15.060 4.365 -0.804 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.232 2.380 1.493 1.00 0.00 N ATOM 1174 CA LEU A 990 -8.615 3.198 2.524 1.00 0.00 C ATOM 1175 C LEU A 990 -7.566 4.110 1.885 1.00 0.00 C ATOM 1176 O LEU A 990 -7.652 5.332 1.995 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.063 2.318 3.647 1.00 0.00 C ATOM 1178 CG LEU A 990 -8.420 2.746 5.072 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -7.846 1.768 6.098 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -7.976 4.185 5.340 1.00 0.00 C ATOM 0 H LEU A 990 -8.961 1.397 1.510 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.357 3.844 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -8.422 1.300 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -6.977 2.290 3.559 1.00 0.00 H new ATOM 0 HG LEU A 990 -9.505 2.720 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -8.114 2.095 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -8.254 0.773 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -6.760 1.738 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.242 4.464 6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -6.896 4.262 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.473 4.856 4.639 1.00 0.00 H new ATOM 1192 N LEU A 991 -6.600 3.481 1.232 1.00 0.00 N ATOM 1193 CA LEU A 991 -5.536 4.221 0.576 1.00 0.00 C ATOM 1194 C LEU A 991 -6.146 5.202 -0.428 1.00 0.00 C ATOM 1195 O LEU A 991 -5.901 6.405 -0.352 1.00 0.00 O ATOM 1196 CB LEU A 991 -4.518 3.261 -0.044 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.298 3.909 -0.701 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -2.391 4.556 0.347 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -2.542 2.900 -1.568 1.00 0.00 C ATOM 0 H LEU A 991 -6.532 2.467 1.143 1.00 0.00 H new ATOM 0 HA LEU A 991 -4.980 4.813 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -4.169 2.581 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.029 2.654 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 991 -3.647 4.704 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -1.531 5.009 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -2.947 5.324 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.048 3.797 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -1.679 3.386 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -2.205 2.069 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.202 2.526 -2.350 1.00 0.00 H new ATOM 1211 N ASN A 992 -6.928 4.651 -1.345 1.00 0.00 N ATOM 1212 CA ASN A 992 -7.575 5.462 -2.362 1.00 0.00 C ATOM 1213 C ASN A 992 -8.201 6.693 -1.704 1.00 0.00 C ATOM 1214 O ASN A 992 -8.058 7.809 -2.203 1.00 0.00 O ATOM 1215 CB ASN A 992 -8.689 4.682 -3.062 1.00 0.00 C ATOM 1216 CG ASN A 992 -9.202 5.440 -4.288 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -8.593 5.449 -5.345 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -10.354 6.075 -4.088 1.00 0.00 N ATOM 0 H ASN A 992 -7.128 3.653 -1.405 1.00 0.00 H new ATOM 0 HA ASN A 992 -6.821 5.749 -3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.318 3.703 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -9.510 4.510 -2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -10.779 6.610 -4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -10.812 6.026 -3.178 1.00 0.00 H new ATOM 1225 N SER A 993 -8.882 6.450 -0.594 1.00 0.00 N ATOM 1226 CA SER A 993 -9.531 7.525 0.137 1.00 0.00 C ATOM 1227 C SER A 993 -8.545 8.672 0.365 1.00 0.00 C ATOM 1228 O SER A 993 -8.619 9.701 -0.304 1.00 0.00 O ATOM 1229 CB SER A 993 -10.085 7.026 1.473 1.00 0.00 C ATOM 1230 OG SER A 993 -11.509 7.018 1.492 1.00 0.00 O ATOM 0 H SER A 993 -8.999 5.524 -0.183 1.00 0.00 H new ATOM 0 HA SER A 993 -10.368 7.888 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 993 -9.714 6.019 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 993 -9.716 7.661 2.278 1.00 0.00 H new ATOM 0 HG SER A 993 -11.823 6.692 2.361 1.00 0.00 H new ATOM 1236 N ASP A 994 -7.645 8.456 1.313 1.00 0.00 N ATOM 1237 CA ASP A 994 -6.645 9.459 1.638 1.00 0.00 C ATOM 1238 C ASP A 994 -5.977 9.943 0.350 1.00 0.00 C ATOM 1239 O ASP A 994 -5.550 11.093 0.262 1.00 0.00 O ATOM 1240 CB ASP A 994 -5.558 8.879 2.546 1.00 0.00 C ATOM 1241 CG ASP A 994 -5.732 9.180 4.036 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -6.899 9.352 4.448 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -4.693 9.231 4.729 1.00 0.00 O ATOM 0 H ASP A 994 -7.587 7.601 1.866 1.00 0.00 H new ATOM 0 HA ASP A 994 -7.145 10.279 2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -5.531 7.798 2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -4.591 9.266 2.223 1.00 0.00 H new ATOM 1248 N LEU A 995 -5.907 9.041 -0.618 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.298 9.361 -1.898 1.00 0.00 C ATOM 1250 C LEU A 995 -6.050 10.530 -2.537 1.00 0.00 C ATOM 1251 O LEU A 995 -5.480 11.600 -2.745 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.228 8.117 -2.785 1.00 0.00 C ATOM 1253 CG LEU A 995 -5.616 8.315 -4.251 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -4.882 9.514 -4.855 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -5.386 7.036 -5.058 1.00 0.00 C ATOM 0 H LEU A 995 -6.262 8.088 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.266 9.683 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.211 7.726 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -5.878 7.354 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 995 -6.683 8.535 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -5.176 9.633 -5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -5.140 10.416 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.806 9.349 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -5.670 7.205 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -4.333 6.760 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -5.991 6.230 -4.643 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.319 10.286 -2.831 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.155 11.306 -3.442 1.00 0.00 C ATOM 1269 C ALA A 996 -8.012 12.613 -2.660 1.00 0.00 C ATOM 1270 O ALA A 996 -7.603 13.631 -3.215 1.00 0.00 O ATOM 1271 CB ALA A 996 -9.602 10.814 -3.496 1.00 0.00 C ATOM 0 H ALA A 996 -7.788 9.397 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 996 -7.838 11.499 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.229 11.579 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -9.654 9.900 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -9.956 10.612 -2.485 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.357 12.542 -1.383 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.273 13.706 -0.518 1.00 0.00 C ATOM 1279 C GLU A 997 -6.941 14.429 -0.730 1.00 0.00 C ATOM 1280 O GLU A 997 -6.874 15.654 -0.640 1.00 0.00 O ATOM 1281 CB GLU A 997 -8.457 13.315 0.949 1.00 0.00 C ATOM 1282 CG GLU A 997 -8.684 14.551 1.822 1.00 0.00 C ATOM 1283 CD GLU A 997 -10.178 14.802 2.038 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -10.789 15.407 1.131 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -10.675 14.385 3.106 1.00 0.00 O ATOM 0 H GLU A 997 -8.696 11.695 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.081 14.388 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.305 12.637 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -7.577 12.775 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -8.191 14.416 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -8.229 15.422 1.350 1.00 0.00 H new ATOM 1292 N LEU A 998 -5.914 13.640 -1.009 1.00 0.00 N ATOM 1293 CA LEU A 998 -4.588 14.190 -1.234 1.00 0.00 C ATOM 1294 C LEU A 998 -4.572 14.943 -2.566 1.00 0.00 C ATOM 1295 O LEU A 998 -4.156 16.099 -2.625 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.529 13.090 -1.138 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.091 13.561 -0.913 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.739 14.717 -1.851 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -1.856 13.924 0.555 1.00 0.00 C ATOM 0 H LEU A 998 -5.973 12.625 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.338 14.911 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -3.803 12.420 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.559 12.503 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 998 -1.421 12.736 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.711 15.032 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -1.841 14.390 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -2.413 15.553 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.826 14.256 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -2.535 14.726 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.039 13.050 1.180 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.031 14.257 -3.603 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.075 14.846 -4.930 1.00 0.00 C ATOM 1313 C ILE A 999 -5.885 16.143 -4.880 1.00 0.00 C ATOM 1314 O ILE A 999 -5.436 17.179 -5.369 1.00 0.00 O ATOM 1315 CB ILE A 999 -5.599 13.833 -5.949 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -4.704 12.593 -6.000 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -5.764 14.477 -7.328 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.391 12.894 -6.726 1.00 0.00 C ATOM 0 H ILE A 999 -5.376 13.298 -3.550 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.071 15.109 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.587 13.504 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -4.493 12.250 -4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.227 11.783 -6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.138 13.735 -8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.472 15.303 -7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -4.800 14.852 -7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -2.773 11.996 -6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -3.604 13.213 -7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -2.859 13.688 -6.201 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.065 16.045 -4.285 1.00 0.00 N ATOM 1331 CA ASN A1000 -7.941 17.197 -4.166 1.00 0.00 C ATOM 1332 C ASN A1000 -7.217 18.306 -3.400 1.00 0.00 C ATOM 1333 O ASN A1000 -7.112 19.432 -3.884 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.214 16.843 -3.393 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.402 17.674 -3.884 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.254 18.665 -4.579 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.584 17.215 -3.484 1.00 0.00 N ATOM 0 H ASN A1000 -7.434 15.185 -3.880 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.208 17.523 -5.171 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.433 15.782 -3.513 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.058 17.018 -2.329 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -12.439 17.699 -3.759 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -11.636 16.379 -2.903 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.736 17.949 -2.219 1.00 0.00 N ATOM 1345 CA LYS A1001 -6.024 18.900 -1.382 1.00 0.00 C ATOM 1346 C LYS A1001 -5.070 19.723 -2.250 1.00 0.00 C ATOM 1347 O LYS A1001 -5.001 20.944 -2.118 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.334 18.181 -0.221 1.00 0.00 C ATOM 1349 CG LYS A1001 -6.262 18.081 0.992 1.00 0.00 C ATOM 1350 CD LYS A1001 -5.506 18.386 2.287 1.00 0.00 C ATOM 1351 CE LYS A1001 -5.465 17.159 3.199 1.00 0.00 C ATOM 1352 NZ LYS A1001 -6.531 17.238 4.223 1.00 0.00 N ATOM 0 H LYS A1001 -6.825 17.014 -1.821 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.722 19.600 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -5.032 17.182 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.426 18.717 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -7.092 18.779 0.878 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.692 17.081 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -4.490 18.704 2.053 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -5.987 19.214 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -5.589 16.253 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -4.491 17.091 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -6.123 17.063 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -6.962 18.184 4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -7.258 16.522 4.023 1.00 0.00 H new ATOM 1366 N MET A1002 -4.358 19.021 -3.119 1.00 0.00 N ATOM 1367 CA MET A1002 -3.411 19.671 -4.009 1.00 0.00 C ATOM 1368 C MET A1002 -4.123 20.637 -4.957 1.00 0.00 C ATOM 1369 O MET A1002 -3.699 21.780 -5.119 1.00 0.00 O ATOM 1370 CB MET A1002 -2.666 18.612 -4.824 1.00 0.00 C ATOM 1371 CG MET A1002 -1.764 19.263 -5.875 1.00 0.00 C ATOM 1372 SD MET A1002 -2.053 18.520 -7.472 1.00 0.00 S ATOM 1373 CE MET A1002 -2.469 19.975 -8.419 1.00 0.00 C ATOM 0 H MET A1002 -4.418 18.008 -3.226 1.00 0.00 H new ATOM 0 HA MET A1002 -2.705 20.240 -3.404 1.00 0.00 H new ATOM 0 HB2 MET A1002 -2.066 17.992 -4.158 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.383 17.953 -5.313 1.00 0.00 H new ATOM 0 HG2 MET A1002 -1.961 20.334 -5.922 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.718 19.143 -5.593 1.00 0.00 H new ATOM 0 HE1 MET A1002 -3.548 20.016 -8.568 1.00 0.00 H new ATOM 0 HE2 MET A1002 -2.143 20.865 -7.881 1.00 0.00 H new ATOM 0 HE3 MET A1002 -1.971 19.933 -9.388 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.195 20.142 -5.559 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.971 20.948 -6.486 1.00 0.00 C ATOM 1385 C LYS A1003 -6.373 22.258 -5.806 1.00 0.00 C ATOM 1386 O LYS A1003 -6.659 23.248 -6.477 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.157 20.148 -7.028 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.933 19.757 -8.491 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.252 19.369 -9.163 1.00 0.00 C ATOM 1390 CE LYS A1003 -9.100 20.607 -9.461 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.586 20.578 -10.859 1.00 0.00 N ATOM 0 H LYS A1003 -5.544 19.193 -5.423 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.369 21.212 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.300 19.251 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -8.069 20.739 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.478 20.589 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.234 18.923 -8.545 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.048 18.832 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -8.808 18.690 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -9.947 20.648 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -8.510 21.508 -9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -10.160 21.425 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -8.774 20.561 -11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -10.166 19.728 -11.007 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.381 22.221 -4.481 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.742 23.393 -3.702 1.00 0.00 C ATOM 1407 C LEU A1004 -5.480 24.194 -3.378 1.00 0.00 C ATOM 1408 O LEU A1004 -5.472 25.419 -3.492 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.547 22.987 -2.466 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.678 21.983 -2.701 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.135 21.354 -1.384 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.837 22.632 -3.460 1.00 0.00 C ATOM 0 H LEU A1004 -6.143 21.398 -3.928 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.395 24.047 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.860 22.565 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.973 23.887 -2.023 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.295 21.176 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -9.939 20.645 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -8.297 20.834 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.495 22.135 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.628 21.898 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.227 23.469 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.483 22.992 -4.426 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.443 23.471 -2.982 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.178 24.099 -2.641 1.00 0.00 C ATOM 1426 C ALA A1005 -2.732 24.997 -3.797 1.00 0.00 C ATOM 1427 O ALA A1005 -1.903 25.887 -3.612 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.145 23.020 -2.309 1.00 0.00 C ATOM 0 H ALA A1005 -4.453 22.455 -2.890 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.288 24.728 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.196 23.491 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.496 22.428 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -2.006 22.371 -3.174 1.00 0.00 H new ATOM 1434 N GLN A1006 -3.302 24.733 -4.964 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.973 25.506 -6.149 1.00 0.00 C ATOM 1436 C GLN A1006 -3.878 26.736 -6.248 1.00 0.00 C ATOM 1437 O GLN A1006 -3.485 27.757 -6.810 1.00 0.00 O ATOM 1438 CB GLN A1006 -3.076 24.646 -7.410 1.00 0.00 C ATOM 1439 CG GLN A1006 -2.372 25.318 -8.591 1.00 0.00 C ATOM 1440 CD GLN A1006 -3.322 25.474 -9.780 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -4.411 24.924 -9.813 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -2.851 26.251 -10.751 1.00 0.00 N ATOM 0 H GLN A1006 -3.990 23.995 -5.114 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.941 25.845 -6.064 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -2.631 23.668 -7.225 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -4.125 24.478 -7.655 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -2.000 26.297 -8.288 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -1.507 24.726 -8.888 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -1.931 26.681 -10.659 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -3.410 26.417 -11.588 1.00 0.00 H new ATOM 1451 N GLN A1007 -5.074 26.597 -5.694 1.00 0.00 N ATOM 1452 CA GLN A1007 -6.038 27.684 -5.713 1.00 0.00 C ATOM 1453 C GLN A1007 -6.045 28.412 -4.367 1.00 0.00 C ATOM 1454 O GLN A1007 -6.739 29.413 -4.203 1.00 0.00 O ATOM 1455 CB GLN A1007 -7.436 27.171 -6.066 1.00 0.00 C ATOM 1456 CG GLN A1007 -8.224 28.222 -6.850 1.00 0.00 C ATOM 1457 CD GLN A1007 -9.413 28.736 -6.035 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -9.757 28.208 -4.990 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -10.020 29.792 -6.570 1.00 0.00 N ATOM 0 H GLN A1007 -5.397 25.748 -5.229 1.00 0.00 H new ATOM 0 HA GLN A1007 -5.741 28.393 -6.486 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -7.354 26.258 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -7.974 26.914 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -7.569 29.054 -7.109 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -8.579 27.792 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -9.680 30.185 -7.448 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -10.825 30.209 -6.102 1.00 0.00 H new ATOM 1468 N TYR A1008 -5.263 27.879 -3.439 1.00 0.00 N ATOM 1469 CA TYR A1008 -5.170 28.466 -2.113 1.00 0.00 C ATOM 1470 C TYR A1008 -3.784 29.068 -1.876 1.00 0.00 C ATOM 1471 O TYR A1008 -3.562 29.749 -0.876 1.00 0.00 O ATOM 1472 CB TYR A1008 -5.389 27.316 -1.128 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.849 27.118 -0.716 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.677 26.317 -1.475 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -7.337 27.741 0.415 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -9.052 26.131 -1.087 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.711 27.555 0.802 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.501 26.760 0.032 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.799 26.584 0.398 1.00 0.00 O ATOM 0 H TYR A1008 -4.689 27.048 -3.579 1.00 0.00 H new ATOM 0 HA TYR A1008 -5.902 29.264 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -5.020 26.393 -1.575 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.792 27.498 -0.235 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -7.295 25.830 -2.360 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.688 28.368 1.009 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -9.711 25.506 -1.672 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -9.106 28.036 1.685 1.00 0.00 H new ATOM 0 HH TYR A1008 -10.980 27.092 1.217 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.887 28.796 -2.813 1.00 0.00 N ATOM 1490 CA VAL A1009 -1.529 29.303 -2.718 1.00 0.00 C ATOM 1491 C VAL A1009 -1.526 30.803 -3.020 1.00 0.00 C ATOM 1492 O VAL A1009 -0.797 31.566 -2.389 1.00 0.00 O ATOM 1493 CB VAL A1009 -0.607 28.505 -3.643 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -1.217 28.367 -5.039 1.00 0.00 C ATOM 1495 CG2 VAL A1009 0.783 29.140 -3.712 1.00 0.00 C ATOM 0 H VAL A1009 -3.075 28.231 -3.641 1.00 0.00 H new ATOM 0 HA VAL A1009 -1.144 29.175 -1.707 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.498 27.504 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -0.542 27.796 -5.676 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -2.174 27.850 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -1.371 29.357 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A1009 1.418 28.554 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A1009 0.700 30.157 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.223 29.162 -2.715 1.00 0.00 H new ATOM 1505 N MET A1010 -2.351 31.180 -3.986 1.00 0.00 N ATOM 1506 CA MET A1010 -2.453 32.575 -4.380 1.00 0.00 C ATOM 1507 C MET A1010 -2.376 33.496 -3.161 1.00 0.00 C ATOM 1508 O MET A1010 -1.915 34.632 -3.264 1.00 0.00 O ATOM 1509 CB MET A1010 -3.778 32.804 -5.110 1.00 0.00 C ATOM 1510 CG MET A1010 -4.861 31.858 -4.590 1.00 0.00 C ATOM 1511 SD MET A1010 -6.381 32.756 -4.324 1.00 0.00 S ATOM 1512 CE MET A1010 -7.001 31.899 -2.886 1.00 0.00 C ATOM 0 H MET A1010 -2.955 30.544 -4.507 1.00 0.00 H new ATOM 0 HA MET A1010 -1.619 32.808 -5.041 1.00 0.00 H new ATOM 0 HB2 MET A1010 -4.098 33.837 -4.975 1.00 0.00 H new ATOM 0 HB3 MET A1010 -3.639 32.650 -6.180 1.00 0.00 H new ATOM 0 HG2 MET A1010 -5.026 31.052 -5.305 1.00 0.00 H new ATOM 0 HG3 MET A1010 -4.535 31.395 -3.659 1.00 0.00 H new ATOM 0 HE1 MET A1010 -7.503 32.608 -2.228 1.00 0.00 H new ATOM 0 HE2 MET A1010 -7.708 31.130 -3.197 1.00 0.00 H new ATOM 0 HE3 MET A1010 -6.171 31.434 -2.354 1.00 0.00 H new ATOM 1522 N THR A1011 -2.834 32.972 -2.033 1.00 0.00 N ATOM 1523 CA THR A1011 -2.823 33.733 -0.796 1.00 0.00 C ATOM 1524 C THR A1011 -1.695 33.248 0.118 1.00 0.00 C ATOM 1525 O THR A1011 -0.521 33.486 -0.159 1.00 0.00 O ATOM 1526 CB THR A1011 -4.210 33.622 -0.160 1.00 0.00 C ATOM 1527 OG1 THR A1011 -4.335 32.240 0.163 1.00 0.00 O ATOM 1528 CG2 THR A1011 -5.336 33.873 -1.165 1.00 0.00 C ATOM 0 H THR A1011 -3.215 32.029 -1.950 1.00 0.00 H new ATOM 0 HA THR A1011 -2.618 34.787 -0.982 1.00 0.00 H new ATOM 0 HB THR A1011 -4.291 34.334 0.661 1.00 0.00 H new ATOM 0 HG1 THR A1011 -5.206 32.079 0.582 1.00 0.00 H new ATOM 0 HG21 THR A1011 -6.299 33.782 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A1011 -5.236 34.876 -1.580 1.00 0.00 H new ATOM 0 HG23 THR A1011 -5.276 33.140 -1.969 1.00 0.00 H new ATOM 1536 N SER A1012 -2.092 32.577 1.189 1.00 0.00 N ATOM 1537 CA SER A1012 -1.130 32.057 2.146 1.00 0.00 C ATOM 1538 C SER A1012 -1.739 30.883 2.915 1.00 0.00 C ATOM 1539 O SER A1012 -1.309 30.574 4.025 1.00 0.00 O ATOM 1540 CB SER A1012 -0.673 33.148 3.116 1.00 0.00 C ATOM 1541 OG SER A1012 0.743 33.301 3.119 1.00 0.00 O ATOM 0 H SER A1012 -3.067 32.381 1.415 1.00 0.00 H new ATOM 0 HA SER A1012 -0.256 31.708 1.597 1.00 0.00 H new ATOM 0 HB2 SER A1012 -1.139 34.095 2.843 1.00 0.00 H new ATOM 0 HB3 SER A1012 -1.013 32.904 4.122 1.00 0.00 H new ATOM 0 HG SER A1012 0.994 34.008 3.750 1.00 0.00 H new ATOM 1547 N LEU A1013 -2.731 30.261 2.294 1.00 0.00 N ATOM 1548 CA LEU A1013 -3.404 29.128 2.907 1.00 0.00 C ATOM 1549 C LEU A1013 -2.568 27.865 2.689 1.00 0.00 C ATOM 1550 O LEU A1013 -2.651 26.919 3.470 1.00 0.00 O ATOM 1551 CB LEU A1013 -4.839 29.013 2.389 1.00 0.00 C ATOM 1552 CG LEU A1013 -5.941 29.420 3.369 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -6.073 28.398 4.500 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -5.706 30.835 3.901 1.00 0.00 C ATOM 0 H LEU A1013 -3.085 30.520 1.373 1.00 0.00 H new ATOM 0 HA LEU A1013 -3.489 29.272 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.931 29.628 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -5.013 27.981 2.086 1.00 0.00 H new ATOM 0 HG LEU A1013 -6.889 29.431 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -6.863 28.711 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -6.320 27.422 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -5.130 28.332 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -6.503 31.100 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -4.747 30.875 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -5.700 31.540 3.070 1.00 0.00 H new ATOM 1566 N GLN A1014 -1.781 27.892 1.623 1.00 0.00 N ATOM 1567 CA GLN A1014 -0.931 26.761 1.292 1.00 0.00 C ATOM 1568 C GLN A1014 -0.366 26.131 2.567 1.00 0.00 C ATOM 1569 O GLN A1014 -0.602 24.954 2.838 1.00 0.00 O ATOM 1570 CB GLN A1014 0.194 27.180 0.343 1.00 0.00 C ATOM 1571 CG GLN A1014 0.583 28.643 0.566 1.00 0.00 C ATOM 1572 CD GLN A1014 2.102 28.821 0.513 1.00 0.00 C ATOM 1573 OE1 GLN A1014 2.724 28.756 -0.535 1.00 0.00 O ATOM 1574 NE2 GLN A1014 2.662 29.048 1.698 1.00 0.00 N ATOM 0 H GLN A1014 -1.714 28.679 0.978 1.00 0.00 H new ATOM 0 HA GLN A1014 -1.536 26.014 0.778 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.063 26.541 0.499 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -0.125 27.038 -0.690 1.00 0.00 H new ATOM 0 HG2 GLN A1014 0.113 29.268 -0.194 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.207 28.980 1.532 1.00 0.00 H new ATOM 0 HE21 GLN A1014 2.082 29.090 2.536 1.00 0.00 H new ATOM 0 HE22 GLN A1014 3.671 29.180 1.768 1.00 0.00 H new ATOM 1583 N GLN A1015 0.368 26.941 3.315 1.00 0.00 N ATOM 1584 CA GLN A1015 0.968 26.477 4.554 1.00 0.00 C ATOM 1585 C GLN A1015 -0.030 25.622 5.339 1.00 0.00 C ATOM 1586 O GLN A1015 0.298 24.517 5.769 1.00 0.00 O ATOM 1587 CB GLN A1015 1.464 27.654 5.397 1.00 0.00 C ATOM 1588 CG GLN A1015 0.355 28.688 5.602 1.00 0.00 C ATOM 1589 CD GLN A1015 0.940 30.057 5.952 1.00 0.00 C ATOM 1590 OE1 GLN A1015 1.656 30.672 5.179 1.00 0.00 O ATOM 1591 NE2 GLN A1015 0.597 30.500 7.159 1.00 0.00 N ATOM 0 H GLN A1015 0.561 27.916 3.087 1.00 0.00 H new ATOM 0 HA GLN A1015 1.832 25.859 4.308 1.00 0.00 H new ATOM 0 HB2 GLN A1015 1.812 27.292 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A1015 2.317 28.123 4.907 1.00 0.00 H new ATOM 0 HG2 GLN A1015 -0.246 28.766 4.696 1.00 0.00 H new ATOM 0 HG3 GLN A1015 -0.311 28.359 6.399 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -0.006 29.935 7.757 1.00 0.00 H new ATOM 0 HE22 GLN A1015 0.937 31.404 7.486 1.00 0.00 H new ATOM 1600 N GLU A1016 -1.227 26.166 5.502 1.00 0.00 N ATOM 1601 CA GLU A1016 -2.274 25.467 6.228 1.00 0.00 C ATOM 1602 C GLU A1016 -2.502 24.080 5.625 1.00 0.00 C ATOM 1603 O GLU A1016 -2.429 23.073 6.329 1.00 0.00 O ATOM 1604 CB GLU A1016 -3.570 26.280 6.239 1.00 0.00 C ATOM 1605 CG GLU A1016 -4.330 26.082 7.552 1.00 0.00 C ATOM 1606 CD GLU A1016 -5.527 27.032 7.640 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -5.292 28.209 7.988 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -6.649 26.558 7.359 1.00 0.00 O ATOM 0 H GLU A1016 -1.495 27.083 5.144 1.00 0.00 H new ATOM 0 HA GLU A1016 -1.952 25.344 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -3.342 27.337 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -4.199 25.979 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -4.674 25.050 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.660 26.256 8.394 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.773 24.070 4.328 1.00 0.00 N ATOM 1616 CA TYR A1017 -3.012 22.823 3.622 1.00 0.00 C ATOM 1617 C TYR A1017 -1.787 21.909 3.694 1.00 0.00 C ATOM 1618 O TYR A1017 -1.921 20.698 3.863 1.00 0.00 O ATOM 1619 CB TYR A1017 -3.263 23.205 2.163 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.719 23.561 1.854 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.231 24.779 2.252 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.520 22.664 1.177 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.601 25.114 1.962 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.890 22.999 0.886 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.363 24.207 1.293 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.657 24.523 1.019 1.00 0.00 O ATOM 0 H TYR A1017 -2.832 24.907 3.747 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.852 22.287 4.064 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.630 24.054 1.907 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.959 22.376 1.524 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.604 25.481 2.781 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -5.119 21.711 0.865 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -7.014 26.064 2.269 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.527 22.306 0.356 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.693 25.391 0.565 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.621 22.524 3.563 1.00 0.00 N ATOM 1637 CA LYS A1018 0.626 21.781 3.611 1.00 0.00 C ATOM 1638 C LYS A1018 0.613 20.847 4.823 1.00 0.00 C ATOM 1639 O LYS A1018 1.122 19.730 4.757 1.00 0.00 O ATOM 1640 CB LYS A1018 1.821 22.737 3.584 1.00 0.00 C ATOM 1641 CG LYS A1018 1.821 23.578 2.307 1.00 0.00 C ATOM 1642 CD LYS A1018 3.151 23.444 1.562 1.00 0.00 C ATOM 1643 CE LYS A1018 3.235 24.443 0.406 1.00 0.00 C ATOM 1644 NZ LYS A1018 2.734 23.832 -0.845 1.00 0.00 N ATOM 0 H LYS A1018 -0.514 23.529 3.424 1.00 0.00 H new ATOM 0 HA LYS A1018 0.729 21.153 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.787 23.392 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.748 22.168 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A1018 1.004 23.262 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.644 24.624 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A1018 3.977 23.611 2.253 1.00 0.00 H new ATOM 0 HD3 LYS A1018 3.257 22.429 1.179 1.00 0.00 H new ATOM 0 HE2 LYS A1018 2.651 25.332 0.643 1.00 0.00 H new ATOM 0 HE3 LYS A1018 4.267 24.767 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 2.798 24.524 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 3.309 22.997 -1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 1.742 23.545 -0.718 1.00 0.00 H new ATOM 1658 N LYS A1019 0.024 21.340 5.903 1.00 0.00 N ATOM 1659 CA LYS A1019 -0.063 20.564 7.129 1.00 0.00 C ATOM 1660 C LYS A1019 -1.173 19.521 6.989 1.00 0.00 C ATOM 1661 O LYS A1019 -1.098 18.447 7.584 1.00 0.00 O ATOM 1662 CB LYS A1019 -0.235 21.488 8.336 1.00 0.00 C ATOM 1663 CG LYS A1019 1.104 21.732 9.035 1.00 0.00 C ATOM 1664 CD LYS A1019 1.867 22.880 8.371 1.00 0.00 C ATOM 1665 CE LYS A1019 2.659 22.383 7.160 1.00 0.00 C ATOM 1666 NZ LYS A1019 4.104 22.321 7.475 1.00 0.00 N ATOM 0 H LYS A1019 -0.398 22.267 5.955 1.00 0.00 H new ATOM 0 HA LYS A1019 0.865 20.020 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.659 22.439 8.013 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -0.941 21.046 9.039 1.00 0.00 H new ATOM 0 HG2 LYS A1019 0.933 21.964 10.086 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.706 20.824 9.003 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.167 23.655 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.546 23.336 9.092 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.302 21.396 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A1019 2.494 23.048 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 4.627 21.982 6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.444 23.269 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 4.258 21.668 8.270 1.00 0.00 H new ATOM 1680 N GLN A1020 -2.176 19.873 6.199 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.300 18.980 5.973 1.00 0.00 C ATOM 1682 C GLN A1020 -2.828 17.693 5.294 1.00 0.00 C ATOM 1683 O GLN A1020 -2.982 16.604 5.844 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.390 19.668 5.148 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.852 20.962 5.821 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.749 20.665 7.024 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -6.605 19.796 6.993 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -5.505 21.432 8.083 1.00 0.00 N ATOM 0 H GLN A1020 -2.234 20.765 5.707 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.732 18.720 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -4.011 19.888 4.150 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -5.238 18.994 5.026 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.985 21.538 6.143 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.394 21.577 5.102 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -4.773 22.141 8.041 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -6.050 21.311 8.937 1.00 0.00 H new ATOM 1697 N MET A1021 -2.262 17.862 4.108 1.00 0.00 N ATOM 1698 CA MET A1021 -1.766 16.727 3.347 1.00 0.00 C ATOM 1699 C MET A1021 -0.714 15.952 4.142 1.00 0.00 C ATOM 1700 O MET A1021 -0.587 14.738 3.992 1.00 0.00 O ATOM 1701 CB MET A1021 -1.153 17.221 2.035 1.00 0.00 C ATOM 1702 CG MET A1021 0.089 18.076 2.297 1.00 0.00 C ATOM 1703 SD MET A1021 1.552 17.055 2.258 1.00 0.00 S ATOM 1704 CE MET A1021 1.457 16.440 0.585 1.00 0.00 C ATOM 0 H MET A1021 -2.136 18.767 3.655 1.00 0.00 H new ATOM 0 HA MET A1021 -2.602 16.059 3.139 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.887 16.368 1.410 1.00 0.00 H new ATOM 0 HB3 MET A1021 -1.890 17.804 1.482 1.00 0.00 H new ATOM 0 HG2 MET A1021 0.164 18.862 1.546 1.00 0.00 H new ATOM 0 HG3 MET A1021 0.004 18.568 3.266 1.00 0.00 H new ATOM 0 HE1 MET A1021 2.435 16.521 0.111 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.146 15.395 0.598 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.732 17.027 0.022 1.00 0.00 H new ATOM 1714 N LEU A1022 0.014 16.685 4.972 1.00 0.00 N ATOM 1715 CA LEU A1022 1.051 16.081 5.791 1.00 0.00 C ATOM 1716 C LEU A1022 0.439 14.966 6.641 1.00 0.00 C ATOM 1717 O LEU A1022 0.953 13.849 6.669 1.00 0.00 O ATOM 1718 CB LEU A1022 1.777 17.150 6.610 1.00 0.00 C ATOM 1719 CG LEU A1022 3.087 16.715 7.271 1.00 0.00 C ATOM 1720 CD1 LEU A1022 2.823 15.740 8.420 1.00 0.00 C ATOM 1721 CD2 LEU A1022 4.055 16.135 6.238 1.00 0.00 C ATOM 0 H LEU A1022 -0.094 17.692 5.095 1.00 0.00 H new ATOM 0 HA LEU A1022 1.813 15.621 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.986 17.998 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.101 17.505 7.388 1.00 0.00 H new ATOM 0 HG LEU A1022 3.564 17.597 7.700 1.00 0.00 H new ATOM 0 HD11 LEU A1022 3.770 15.446 8.873 1.00 0.00 H new ATOM 0 HD12 LEU A1022 2.196 16.223 9.170 1.00 0.00 H new ATOM 0 HD13 LEU A1022 2.314 14.855 8.037 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.978 15.834 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.600 15.268 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.278 16.890 5.484 1.00 0.00 H new ATOM 1733 N THR A1023 -0.651 15.308 7.312 1.00 0.00 N ATOM 1734 CA THR A1023 -1.339 14.349 8.161 1.00 0.00 C ATOM 1735 C THR A1023 -1.728 13.107 7.356 1.00 0.00 C ATOM 1736 O THR A1023 -1.596 11.984 7.839 1.00 0.00 O ATOM 1737 CB THR A1023 -2.534 15.057 8.801 1.00 0.00 C ATOM 1738 OG1 THR A1023 -1.944 16.004 9.686 1.00 0.00 O ATOM 1739 CG2 THR A1023 -3.336 14.135 9.723 1.00 0.00 C ATOM 0 H THR A1023 -1.075 16.235 7.285 1.00 0.00 H new ATOM 0 HA THR A1023 -0.690 13.990 8.959 1.00 0.00 H new ATOM 0 HB THR A1023 -3.186 15.446 8.019 1.00 0.00 H new ATOM 0 HG1 THR A1023 -1.632 16.779 9.174 1.00 0.00 H new ATOM 0 HG21 THR A1023 -4.173 14.687 10.151 1.00 0.00 H new ATOM 0 HG22 THR A1023 -3.715 13.288 9.151 1.00 0.00 H new ATOM 0 HG23 THR A1023 -2.692 13.772 10.524 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.198 13.352 6.141 1.00 0.00 N ATOM 1748 CA ALA A1024 -2.607 12.268 5.265 1.00 0.00 C ATOM 1749 C ALA A1024 -1.394 11.394 4.942 1.00 0.00 C ATOM 1750 O ALA A1024 -1.516 10.176 4.820 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.260 12.846 4.008 1.00 0.00 C ATOM 0 H ALA A1024 -2.304 14.285 5.743 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.347 11.636 5.756 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -3.567 12.033 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.133 13.434 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -2.546 13.484 3.487 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.250 12.049 4.813 1.00 0.00 N ATOM 1758 CA ALA A1025 0.985 11.347 4.506 1.00 0.00 C ATOM 1759 C ALA A1025 1.298 10.360 5.633 1.00 0.00 C ATOM 1760 O ALA A1025 1.882 9.304 5.393 1.00 0.00 O ATOM 1761 CB ALA A1025 2.109 12.362 4.291 1.00 0.00 C ATOM 0 H ALA A1025 -0.152 13.059 4.915 1.00 0.00 H new ATOM 0 HA ALA A1025 0.883 10.774 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A1025 3.035 11.836 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.850 13.021 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A1025 2.243 12.954 5.197 1.00 0.00 H new ATOM 1767 N HIS A1026 0.896 10.739 6.837 1.00 0.00 N ATOM 1768 CA HIS A1026 1.127 9.901 8.001 1.00 0.00 C ATOM 1769 C HIS A1026 0.191 8.691 7.956 1.00 0.00 C ATOM 1770 O HIS A1026 0.635 7.552 8.095 1.00 0.00 O ATOM 1771 CB HIS A1026 0.986 10.711 9.291 1.00 0.00 C ATOM 1772 CG HIS A1026 2.060 10.428 10.315 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.161 11.123 11.507 1.00 0.00 N ATOM 1774 CD2 HIS A1026 3.076 9.518 10.312 1.00 0.00 C ATOM 1775 CE1 HIS A1026 3.195 10.645 12.183 1.00 0.00 C ATOM 1776 NE2 HIS A1026 3.761 9.651 11.440 1.00 0.00 N ATOM 0 H HIS A1026 0.412 11.615 7.032 1.00 0.00 H new ATOM 0 HA HIS A1026 2.151 9.526 7.986 1.00 0.00 H new ATOM 0 HB2 HIS A1026 1.004 11.773 9.045 1.00 0.00 H new ATOM 0 HB3 HIS A1026 0.012 10.503 9.734 1.00 0.00 H new ATOM 0 HD2 HIS A1026 3.287 8.809 9.525 1.00 0.00 H new ATOM 0 HE1 HIS A1026 3.531 10.983 13.152 1.00 0.00 H new ATOM 0 HE2 HIS A1026 4.577 9.100 11.708 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.088 8.980 7.761 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.090 7.930 7.696 1.00 0.00 C ATOM 1786 C ALA A1027 -1.861 7.089 6.438 1.00 0.00 C ATOM 1787 O ALA A1027 -2.093 5.881 6.444 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.487 8.554 7.733 1.00 0.00 C ATOM 0 H ALA A1027 -1.453 9.926 7.646 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.006 7.266 8.556 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.239 7.766 7.684 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.610 9.116 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -3.609 9.225 6.882 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.409 7.761 5.390 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.145 7.091 4.128 1.00 0.00 C ATOM 1796 C LEU A1028 -0.169 5.937 4.362 1.00 0.00 C ATOM 1797 O LEU A1028 -0.537 4.771 4.226 1.00 0.00 O ATOM 1798 CB LEU A1028 -0.669 8.096 3.077 1.00 0.00 C ATOM 1799 CG LEU A1028 -1.764 8.777 2.254 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -1.163 9.585 1.103 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -2.794 7.758 1.762 1.00 0.00 C ATOM 0 H LEU A1028 -1.219 8.763 5.389 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.062 6.657 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -0.087 8.868 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A1028 0.006 7.583 2.392 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.289 9.480 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -1.963 10.059 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -0.500 10.352 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -0.597 8.921 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -3.561 8.268 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -2.300 7.014 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.256 7.265 2.618 1.00 0.00 H new ATOM 1813 N ALA A1029 1.056 6.301 4.712 1.00 0.00 N ATOM 1814 CA ALA A1029 2.087 5.310 4.966 1.00 0.00 C ATOM 1815 C ALA A1029 1.475 4.122 5.710 1.00 0.00 C ATOM 1816 O ALA A1029 1.732 2.969 5.364 1.00 0.00 O ATOM 1817 CB ALA A1029 3.235 5.956 5.745 1.00 0.00 C ATOM 0 H ALA A1029 1.357 7.269 4.826 1.00 0.00 H new ATOM 0 HA ALA A1029 2.498 4.936 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A1029 4.009 5.213 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.655 6.775 5.162 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.860 6.341 6.693 1.00 0.00 H new ATOM 1823 N VAL A1030 0.675 4.443 6.717 1.00 0.00 N ATOM 1824 CA VAL A1030 0.024 3.416 7.512 1.00 0.00 C ATOM 1825 C VAL A1030 -1.007 2.686 6.648 1.00 0.00 C ATOM 1826 O VAL A1030 -1.040 1.456 6.622 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.584 4.036 8.772 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.766 3.207 9.276 1.00 0.00 C ATOM 1829 CG2 VAL A1030 0.474 4.205 9.864 1.00 0.00 C ATOM 0 H VAL A1030 0.463 5.400 7.000 1.00 0.00 H new ATOM 0 HA VAL A1030 0.750 2.676 7.848 1.00 0.00 H new ATOM 0 HB VAL A1030 -0.958 5.026 8.512 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -2.179 3.670 10.172 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -2.534 3.162 8.504 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -1.428 2.198 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.016 4.648 10.749 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.891 3.231 10.120 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.269 4.857 9.502 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.822 3.474 5.963 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.851 2.918 5.101 1.00 0.00 C ATOM 1841 C ASP A1031 -2.229 1.856 4.191 1.00 0.00 C ATOM 1842 O ASP A1031 -2.656 0.703 4.195 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.468 3.999 4.212 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.671 4.725 4.817 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -5.023 4.379 5.966 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -5.212 5.609 4.118 1.00 0.00 O ATOM 0 H ASP A1031 -1.791 4.493 5.987 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.626 2.487 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -2.700 4.735 3.975 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -3.774 3.543 3.270 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.229 2.284 3.434 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.544 1.384 2.521 1.00 0.00 C ATOM 1853 C ALA A1032 0.008 0.192 3.305 1.00 0.00 C ATOM 1854 O ALA A1032 0.232 -0.877 2.740 1.00 0.00 O ATOM 1855 CB ALA A1032 0.551 2.150 1.776 1.00 0.00 C ATOM 0 H ALA A1032 -0.877 3.241 3.434 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.236 0.995 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A1032 1.065 1.476 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.103 2.968 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A1032 1.266 2.553 2.494 1.00 0.00 H new ATOM 1861 N LYS A1033 0.211 0.416 4.595 1.00 0.00 N ATOM 1862 CA LYS A1033 0.733 -0.626 5.462 1.00 0.00 C ATOM 1863 C LYS A1033 -0.330 -1.712 5.644 1.00 0.00 C ATOM 1864 O LYS A1033 -0.132 -2.855 5.234 1.00 0.00 O ATOM 1865 CB LYS A1033 1.232 -0.028 6.779 1.00 0.00 C ATOM 1866 CG LYS A1033 2.670 -0.461 7.068 1.00 0.00 C ATOM 1867 CD LYS A1033 3.645 0.181 6.079 1.00 0.00 C ATOM 1868 CE LYS A1033 4.951 -0.613 6.002 1.00 0.00 C ATOM 1869 NZ LYS A1033 5.540 -0.512 4.648 1.00 0.00 N ATOM 0 H LYS A1033 0.023 1.304 5.061 1.00 0.00 H new ATOM 0 HA LYS A1033 1.601 -1.101 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.179 1.060 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A1033 0.582 -0.344 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.941 -0.180 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A1033 2.746 -1.547 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.187 0.230 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.856 1.206 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.657 -0.235 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A1033 4.763 -1.659 6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 6.425 -1.056 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 4.871 -0.894 3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 5.738 0.485 4.429 1.00 0.00 H new ATOM 1883 N ASN A1034 -1.435 -1.316 6.259 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.529 -2.241 6.500 1.00 0.00 C ATOM 1885 C ASN A1034 -2.792 -3.055 5.231 1.00 0.00 C ATOM 1886 O ASN A1034 -3.292 -4.177 5.301 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.815 -1.493 6.856 1.00 0.00 C ATOM 1888 CG ASN A1034 -4.425 -0.831 5.619 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -4.681 -1.463 4.607 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -4.642 0.474 5.755 1.00 0.00 N ATOM 0 H ASN A1034 -1.596 -0.367 6.597 1.00 0.00 H new ATOM 0 HA ASN A1034 -2.246 -2.888 7.331 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -4.534 -2.186 7.294 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -3.602 -0.736 7.611 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -5.046 1.007 4.985 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -4.405 0.942 6.630 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.443 -2.459 4.101 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.635 -3.114 2.818 1.00 0.00 C ATOM 1899 C LEU A1035 -1.795 -4.392 2.773 1.00 0.00 C ATOM 1900 O LEU A1035 -2.338 -5.496 2.744 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.342 -2.145 1.672 1.00 0.00 C ATOM 1902 CG LEU A1035 -2.860 -2.560 0.293 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -2.800 -1.390 -0.690 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.108 -3.786 -0.229 1.00 0.00 C ATOM 0 H LEU A1035 -2.028 -1.529 4.047 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.676 -3.411 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -2.773 -1.176 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.263 -2.007 1.606 1.00 0.00 H new ATOM 0 HG LEU A1035 -3.908 -2.843 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -3.174 -1.712 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -3.415 -0.570 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -1.769 -1.053 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -2.496 -4.060 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.046 -3.554 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -2.246 -4.618 0.461 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.484 -4.201 2.769 1.00 0.00 N ATOM 1917 CA LEU A1036 0.436 -5.325 2.728 1.00 0.00 C ATOM 1918 C LEU A1036 0.367 -6.084 4.054 1.00 0.00 C ATOM 1919 O LEU A1036 0.374 -7.314 4.071 1.00 0.00 O ATOM 1920 CB LEU A1036 1.844 -4.851 2.363 1.00 0.00 C ATOM 1921 CG LEU A1036 2.599 -5.712 1.348 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.777 -4.967 0.023 1.00 0.00 C ATOM 1923 CD2 LEU A1036 3.935 -6.190 1.920 1.00 0.00 C ATOM 0 H LEU A1036 -0.037 -3.285 2.793 1.00 0.00 H new ATOM 0 HA LEU A1036 0.147 -6.026 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.774 -3.837 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.436 -4.798 3.276 1.00 0.00 H new ATOM 0 HG LEU A1036 2.001 -6.600 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A1036 3.316 -5.601 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.799 -4.718 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A1036 3.343 -4.051 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.451 -6.800 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.552 -5.328 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A1036 3.755 -6.784 2.816 1.00 0.00 H new ATOM 1935 N ASP A1037 0.302 -5.319 5.134 1.00 0.00 N ATOM 1936 CA ASP A1037 0.232 -5.904 6.463 1.00 0.00 C ATOM 1937 C ASP A1037 -0.708 -7.111 6.435 1.00 0.00 C ATOM 1938 O ASP A1037 -0.339 -8.199 6.873 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.318 -4.900 7.478 1.00 0.00 C ATOM 1940 CG ASP A1037 -0.194 -5.328 8.942 1.00 0.00 C ATOM 1941 OD1 ASP A1037 0.943 -5.268 9.456 1.00 0.00 O ATOM 1942 OD2 ASP A1037 -1.240 -5.705 9.513 1.00 0.00 O ATOM 0 H ASP A1037 0.296 -4.299 5.116 1.00 0.00 H new ATOM 0 HA ASP A1037 1.240 -6.198 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.202 -3.951 7.347 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.370 -4.720 7.255 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.904 -6.877 5.914 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.899 -7.932 5.823 1.00 0.00 C ATOM 1949 C VAL A1038 -2.385 -9.034 4.894 1.00 0.00 C ATOM 1950 O VAL A1038 -2.595 -10.218 5.154 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.240 -7.349 5.374 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -5.300 -8.445 5.246 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -4.705 -6.246 6.327 1.00 0.00 C ATOM 0 H VAL A1038 -2.206 -5.973 5.551 1.00 0.00 H new ATOM 0 HA VAL A1038 -3.067 -8.384 6.801 1.00 0.00 H new ATOM 0 HB VAL A1038 -4.098 -6.904 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -6.243 -8.003 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.976 -9.181 4.510 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -5.437 -8.933 6.211 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -5.661 -5.849 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -4.821 -6.657 7.330 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -3.965 -5.446 6.346 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.722 -8.605 3.831 1.00 0.00 N ATOM 1964 CA ILE A1039 -1.176 -9.540 2.862 1.00 0.00 C ATOM 1965 C ILE A1039 -0.179 -10.467 3.560 1.00 0.00 C ATOM 1966 O ILE A1039 -0.176 -11.674 3.321 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.585 -8.790 1.667 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.691 -8.231 0.769 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.390 -9.676 0.890 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.108 -7.340 -0.330 1.00 0.00 C ATOM 0 H ILE A1039 -1.550 -7.622 3.619 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.966 -10.170 2.454 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.016 -7.941 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -2.248 -9.052 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.397 -7.658 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.795 -9.118 0.046 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.204 -9.984 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.134 -10.559 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.915 -6.956 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.572 -6.506 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.421 -7.922 -0.944 1.00 0.00 H new ATOM 1982 N ASP A1040 0.644 -9.868 4.408 1.00 0.00 N ATOM 1983 CA ASP A1040 1.644 -10.625 5.142 1.00 0.00 C ATOM 1984 C ASP A1040 0.971 -11.812 5.834 1.00 0.00 C ATOM 1985 O ASP A1040 1.481 -12.931 5.790 1.00 0.00 O ATOM 1986 CB ASP A1040 2.306 -9.763 6.218 1.00 0.00 C ATOM 1987 CG ASP A1040 3.820 -9.941 6.348 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.248 -11.112 6.438 1.00 0.00 O ATOM 1989 OD2 ASP A1040 4.515 -8.902 6.355 1.00 0.00 O ATOM 0 H ASP A1040 0.639 -8.867 4.603 1.00 0.00 H new ATOM 0 HA ASP A1040 2.401 -10.961 4.433 1.00 0.00 H new ATOM 0 HB2 ASP A1040 2.096 -8.715 6.003 1.00 0.00 H new ATOM 0 HB3 ASP A1040 1.845 -9.990 7.179 1.00 0.00 H new ATOM 1994 N GLN A1041 -0.163 -11.528 6.457 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.910 -12.559 7.158 1.00 0.00 C ATOM 1996 C GLN A1041 -1.369 -13.641 6.178 1.00 0.00 C ATOM 1997 O GLN A1041 -1.589 -14.786 6.570 1.00 0.00 O ATOM 1998 CB GLN A1041 -2.100 -11.959 7.908 1.00 0.00 C ATOM 1999 CG GLN A1041 -3.378 -12.050 7.072 1.00 0.00 C ATOM 2000 CD GLN A1041 -4.207 -13.274 7.469 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -3.705 -14.377 7.604 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -5.500 -13.017 7.646 1.00 0.00 N ATOM 0 H GLN A1041 -0.583 -10.599 6.491 1.00 0.00 H new ATOM 0 HA GLN A1041 -0.252 -13.019 7.895 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -2.241 -12.484 8.853 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -1.893 -10.917 8.150 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -3.971 -11.145 7.208 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -3.122 -12.108 6.014 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -5.854 -12.069 7.516 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -6.138 -13.768 7.911 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.500 -13.239 4.922 1.00 0.00 N ATOM 2012 CA ALA A1042 -1.929 -14.160 3.883 1.00 0.00 C ATOM 2013 C ALA A1042 -0.766 -15.084 3.515 1.00 0.00 C ATOM 2014 O ALA A1042 -0.880 -16.304 3.626 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.447 -13.368 2.680 1.00 0.00 C ATOM 0 H ALA A1042 -1.317 -12.288 4.601 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.748 -14.785 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -2.769 -14.059 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.290 -12.750 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.651 -12.731 2.294 1.00 0.00 H new ATOM 2021 N ARG A1043 0.325 -14.468 3.085 1.00 0.00 N ATOM 2022 CA ARG A1043 1.507 -15.221 2.700 1.00 0.00 C ATOM 2023 C ARG A1043 1.667 -16.452 3.595 1.00 0.00 C ATOM 2024 O ARG A1043 1.553 -17.583 3.125 1.00 0.00 O ATOM 2025 CB ARG A1043 2.766 -14.358 2.802 1.00 0.00 C ATOM 2026 CG ARG A1043 3.875 -14.897 1.897 1.00 0.00 C ATOM 2027 CD ARG A1043 4.962 -13.844 1.674 1.00 0.00 C ATOM 2028 NE ARG A1043 6.022 -13.985 2.697 1.00 0.00 N ATOM 2029 CZ ARG A1043 5.951 -13.463 3.929 1.00 0.00 C ATOM 2030 NH1 ARG A1043 4.871 -12.762 4.299 1.00 0.00 N ATOM 2031 NH2 ARG A1043 6.961 -13.642 4.791 1.00 0.00 N ATOM 0 H ARG A1043 0.416 -13.456 2.995 1.00 0.00 H new ATOM 0 HA ARG A1043 1.378 -15.535 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.531 -13.331 2.523 1.00 0.00 H new ATOM 0 HB3 ARG A1043 3.113 -14.336 3.835 1.00 0.00 H new ATOM 0 HG2 ARG A1043 4.314 -15.788 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A1043 3.453 -15.197 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A1043 5.390 -13.956 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A1043 4.528 -12.845 1.724 1.00 0.00 H new ATOM 0 HE ARG A1043 6.859 -14.513 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A1043 4.102 -12.625 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A1043 4.817 -12.365 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A1043 7.783 -14.175 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A1043 6.907 -13.245 5.729 1.00 0.00 H new ATOM 2045 N LEU A1044 1.927 -16.190 4.867 1.00 0.00 N ATOM 2046 CA LEU A1044 2.103 -17.262 5.831 1.00 0.00 C ATOM 2047 C LEU A1044 0.963 -18.271 5.680 1.00 0.00 C ATOM 2048 O LEU A1044 1.198 -19.477 5.633 1.00 0.00 O ATOM 2049 CB LEU A1044 2.239 -16.695 7.245 1.00 0.00 C ATOM 2050 CG LEU A1044 1.411 -15.444 7.548 1.00 0.00 C ATOM 2051 CD1 LEU A1044 0.433 -15.700 8.697 1.00 0.00 C ATOM 2052 CD2 LEU A1044 2.315 -14.241 7.822 1.00 0.00 C ATOM 0 H LEU A1044 2.020 -15.250 5.253 1.00 0.00 H new ATOM 0 HA LEU A1044 3.032 -17.799 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.959 -17.473 7.956 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.289 -16.464 7.423 1.00 0.00 H new ATOM 0 HG LEU A1044 0.817 -15.205 6.666 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.143 -14.796 8.893 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.244 -16.510 8.425 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.989 -15.977 9.593 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.701 -13.366 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.953 -14.453 8.680 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.936 -14.046 6.947 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.249 -17.739 5.608 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.426 -18.578 5.463 1.00 0.00 C ATOM 2066 C LYS A1045 -1.152 -19.658 4.414 1.00 0.00 C ATOM 2067 O LYS A1045 -1.749 -20.733 4.454 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.658 -17.724 5.158 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.946 -18.474 5.506 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.706 -18.874 4.240 1.00 0.00 C ATOM 2071 CE LYS A1045 -6.096 -19.413 4.584 1.00 0.00 C ATOM 2072 NZ LYS A1045 -6.221 -20.828 4.167 1.00 0.00 N ATOM 0 H LYS A1045 -0.441 -16.738 5.647 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.645 -19.091 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.610 -16.794 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -2.665 -17.453 4.102 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -3.707 -19.364 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -4.580 -17.845 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -4.799 -18.012 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -4.142 -19.632 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -6.271 -19.327 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.858 -18.813 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -7.170 -21.178 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -6.075 -20.901 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -5.506 -21.400 4.660 1.00 0.00 H new ATOM 2086 N MET A1046 -0.250 -19.334 3.500 1.00 0.00 N ATOM 2087 CA MET A1046 0.111 -20.263 2.442 1.00 0.00 C ATOM 2088 C MET A1046 1.194 -21.236 2.912 1.00 0.00 C ATOM 2089 O MET A1046 1.083 -22.443 2.703 1.00 0.00 O ATOM 2090 CB MET A1046 0.617 -19.482 1.227 1.00 0.00 C ATOM 2091 CG MET A1046 0.059 -20.066 -0.072 1.00 0.00 C ATOM 2092 SD MET A1046 -0.022 -18.799 -1.326 1.00 0.00 S ATOM 2093 CE MET A1046 1.398 -17.820 -0.869 1.00 0.00 C ATOM 0 H MET A1046 0.242 -18.441 3.470 1.00 0.00 H new ATOM 0 HA MET A1046 -0.774 -20.838 2.172 1.00 0.00 H new ATOM 0 HB2 MET A1046 0.324 -18.436 1.315 1.00 0.00 H new ATOM 0 HB3 MET A1046 1.706 -19.507 1.202 1.00 0.00 H new ATOM 0 HG2 MET A1046 0.691 -20.886 -0.413 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.934 -20.480 0.103 1.00 0.00 H new ATOM 0 HE1 MET A1046 1.678 -17.174 -1.701 1.00 0.00 H new ATOM 0 HE2 MET A1046 1.154 -17.208 -0.001 1.00 0.00 H new ATOM 0 HE3 MET A1046 2.231 -18.479 -0.626 1.00 0.00 H new ATOM 2103 N ILE A1047 2.218 -20.674 3.538 1.00 0.00 N ATOM 2104 CA ILE A1047 3.321 -21.476 4.039 1.00 0.00 C ATOM 2105 C ILE A1047 2.807 -22.413 5.135 1.00 0.00 C ATOM 2106 O ILE A1047 2.753 -23.627 4.943 1.00 0.00 O ATOM 2107 CB ILE A1047 4.475 -20.579 4.489 1.00 0.00 C ATOM 2108 CG1 ILE A1047 5.069 -19.814 3.303 1.00 0.00 C ATOM 2109 CG2 ILE A1047 5.537 -21.386 5.239 1.00 0.00 C ATOM 2110 CD1 ILE A1047 4.778 -18.316 3.417 1.00 0.00 C ATOM 0 H ILE A1047 2.307 -19.672 3.710 1.00 0.00 H new ATOM 0 HA ILE A1047 3.727 -22.104 3.246 1.00 0.00 H new ATOM 0 HB ILE A1047 4.081 -19.839 5.186 1.00 0.00 H new ATOM 0 HG12 ILE A1047 6.146 -19.977 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A1047 4.653 -20.199 2.372 1.00 0.00 H new ATOM 0 HG21 ILE A1047 6.346 -20.724 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A1047 5.089 -21.847 6.119 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.933 -22.163 4.585 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.210 -17.795 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A1047 3.700 -18.155 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A1047 5.216 -17.929 4.337 1.00 0.00 H new