USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 944 GLN : amide:sc= -0.0653 X(o=-0.065,f=0.42) USER MOD Set 1.2: A1019 LYS NZ :NH3+ 161:sc= 0 (180deg=0) USER MOD Set 2.1: A1008 TYR OH : rot -135:sc= 1.13 USER MOD Set 2.2: A1017 TYR OH : rot -157:sc= 1.38! USER MOD Set 3.1: A1002 MET CE :methyl 157:sc= -1.58! (180deg=-1.81) USER MOD Set 3.2: A1006 GLN : amide:sc= -10.3! C(o=-12!,f=-20!) USER MOD Set 4.1: A 940 SER OG : rot -100:sc= -0.669 USER MOD Set 4.2: A1021 MET CE :methyl -119:sc= -5.49! (180deg=-6.66!) USER MOD Single : A 922 ASN : amide:sc= -0.0058 X(o=-0.0058,f=0) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -0.847 K(o=-0.85,f=-0.28) USER MOD Single : A 930 THR OG1 : rot -108:sc= -1.12 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 154:sc= -0.75 (180deg=-2.67!) USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 951 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 954 MET CE :methyl -141:sc= -3.81! (180deg=-7.49!) 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 160:sc= 0 USER MOD Single : A 972 SER OG : rot -149:sc= -1.02! USER MOD Single : A 979 SER OG : rot 140:sc= -3.46 USER MOD Single : A 980 THR OG1 : rot -163:sc= -8.06! USER MOD Single : A 981 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.022) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.426 K(o=-0.43,f=-3!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc=-0.00958 X(o=-0.0096,f=-0.47) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1010 MET CE :methyl 169:sc= -4.6! (180deg=-5.25!) USER MOD Single : A1011 THR OG1 : rot -35:sc= -0.627! USER MOD Single : A1012 SER OG : rot -42:sc= 0.00851 USER MOD Single : A1014 GLN : amide:sc= -0.0948 X(o=-0.095,f=-0.15) USER MOD Single : A1015 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A1018 LYS NZ :NH3+ 168:sc= 0.054 (180deg=0.0401) USER MOD Single : A1020 GLN : amide:sc= 0.71 K(o=0.71,f=-0.44) USER MOD Single : A1023 THR OG1 : rot 92:sc= 0.446 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -2.23 K(o=-2.2,f=-4.9) USER MOD Single : A1041 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl -160:sc= -1.2 (180deg=-1.81) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 6.154 -9.974 -6.570 1.00 0.00 N ATOM 108 CA ASN A 922 6.078 -9.800 -5.129 1.00 0.00 C ATOM 109 C ASN A 922 6.806 -8.514 -4.735 1.00 0.00 C ATOM 110 O ASN A 922 6.297 -7.727 -3.939 1.00 0.00 O ATOM 111 CB ASN A 922 6.747 -10.966 -4.398 1.00 0.00 C ATOM 112 CG ASN A 922 6.602 -10.818 -2.882 1.00 0.00 C ATOM 113 OD1 ASN A 922 5.530 -10.961 -2.318 1.00 0.00 O ATOM 114 ND2 ASN A 922 7.738 -10.524 -2.256 1.00 0.00 N ATOM 0 HA ASN A 922 5.025 -9.755 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 922 6.299 -11.906 -4.720 1.00 0.00 H new ATOM 0 HB3 ASN A 922 7.803 -11.008 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 922 7.746 -10.405 -1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 922 8.601 -10.418 -2.789 1.00 0.00 H new ATOM 121 N ASP A 923 7.987 -8.341 -5.311 1.00 0.00 N ATOM 122 CA ASP A 923 8.791 -7.163 -5.030 1.00 0.00 C ATOM 123 C ASP A 923 8.202 -5.961 -5.770 1.00 0.00 C ATOM 124 O ASP A 923 8.453 -4.815 -5.398 1.00 0.00 O ATOM 125 CB ASP A 923 10.232 -7.353 -5.509 1.00 0.00 C ATOM 126 CG ASP A 923 10.462 -7.072 -6.995 1.00 0.00 C ATOM 127 OD1 ASP A 923 10.208 -7.999 -7.794 1.00 0.00 O ATOM 128 OD2 ASP A 923 10.886 -5.936 -7.299 1.00 0.00 O ATOM 0 H ASP A 923 8.406 -8.996 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 923 8.787 -7.001 -3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 923 10.882 -6.700 -4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 923 10.537 -8.378 -5.297 1.00 0.00 H new ATOM 133 N LYS A 924 7.429 -6.262 -6.803 1.00 0.00 N ATOM 134 CA LYS A 924 6.802 -5.219 -7.598 1.00 0.00 C ATOM 135 C LYS A 924 5.707 -4.543 -6.771 1.00 0.00 C ATOM 136 O LYS A 924 5.774 -3.343 -6.508 1.00 0.00 O ATOM 137 CB LYS A 924 6.306 -5.786 -8.929 1.00 0.00 C ATOM 138 CG LYS A 924 5.554 -4.723 -9.732 1.00 0.00 C ATOM 139 CD LYS A 924 6.512 -3.930 -10.623 1.00 0.00 C ATOM 140 CE LYS A 924 6.158 -4.108 -12.102 1.00 0.00 C ATOM 141 NZ LYS A 924 6.800 -5.325 -12.645 1.00 0.00 N ATOM 0 H LYS A 924 7.222 -7.213 -7.108 1.00 0.00 H new ATOM 0 HA LYS A 924 7.528 -4.448 -7.857 1.00 0.00 H new ATOM 0 HB2 LYS A 924 7.152 -6.154 -9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.651 -6.638 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 924 4.790 -5.199 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 924 5.039 -4.045 -9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 924 6.469 -2.873 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 924 7.536 -4.261 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 924 5.076 -4.178 -12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 924 6.483 -3.235 -12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 6.550 -5.431 -13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 7.833 -5.244 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 6.470 -6.157 -12.116 1.00 0.00 H new ATOM 155 N VAL A 925 4.724 -5.342 -6.383 1.00 0.00 N ATOM 156 CA VAL A 925 3.615 -4.836 -5.592 1.00 0.00 C ATOM 157 C VAL A 925 4.161 -4.154 -4.336 1.00 0.00 C ATOM 158 O VAL A 925 3.628 -3.136 -3.896 1.00 0.00 O ATOM 159 CB VAL A 925 2.635 -5.968 -5.279 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.409 -5.441 -4.531 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.223 -6.705 -6.556 1.00 0.00 C ATOM 0 H VAL A 925 4.672 -6.337 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 925 3.056 -4.087 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 925 3.143 -6.681 -4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 925 0.729 -6.266 -4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 925 1.724 -4.983 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 925 0.900 -4.698 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.526 -7.505 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 925 1.742 -6.006 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.107 -7.130 -7.032 1.00 0.00 H new ATOM 171 N TYR A 926 5.217 -4.743 -3.793 1.00 0.00 N ATOM 172 CA TYR A 926 5.841 -4.205 -2.596 1.00 0.00 C ATOM 173 C TYR A 926 6.659 -2.953 -2.920 1.00 0.00 C ATOM 174 O TYR A 926 6.925 -2.136 -2.039 1.00 0.00 O ATOM 175 CB TYR A 926 6.782 -5.297 -2.084 1.00 0.00 C ATOM 176 CG TYR A 926 6.085 -6.387 -1.268 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.873 -6.895 -1.689 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.668 -6.862 -0.111 1.00 0.00 C ATOM 179 CE1 TYR A 926 4.217 -7.921 -0.921 1.00 0.00 C ATOM 180 CE2 TYR A 926 6.012 -7.889 0.657 1.00 0.00 C ATOM 181 CZ TYR A 926 4.819 -8.367 0.214 1.00 0.00 C ATOM 182 OH TYR A 926 4.199 -9.337 0.939 1.00 0.00 O ATOM 0 H TYR A 926 5.656 -5.587 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 926 5.086 -3.926 -1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.283 -5.759 -2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.556 -4.837 -1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.417 -6.523 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.616 -6.464 0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 926 3.268 -8.327 -1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.458 -8.270 1.564 1.00 0.00 H new ATOM 0 HH TYR A 926 4.744 -9.558 1.723 1.00 0.00 H new ATOM 192 N GLU A 927 7.036 -2.842 -4.185 1.00 0.00 N ATOM 193 CA GLU A 927 7.818 -1.703 -4.636 1.00 0.00 C ATOM 194 C GLU A 927 6.906 -0.504 -4.901 1.00 0.00 C ATOM 195 O GLU A 927 7.048 0.541 -4.267 1.00 0.00 O ATOM 196 CB GLU A 927 8.635 -2.057 -5.880 1.00 0.00 C ATOM 197 CG GLU A 927 9.980 -2.677 -5.495 1.00 0.00 C ATOM 198 CD GLU A 927 11.068 -1.606 -5.397 1.00 0.00 C ATOM 199 OE1 GLU A 927 11.712 -1.354 -6.438 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.232 -1.064 -4.283 1.00 0.00 O ATOM 0 H GLU A 927 6.815 -3.522 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 927 8.519 -1.433 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 927 8.074 -2.755 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.801 -1.161 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.886 -3.194 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.266 -3.424 -6.235 1.00 0.00 H new ATOM 207 N ASN A 928 5.990 -0.694 -5.840 1.00 0.00 N ATOM 208 CA ASN A 928 5.055 0.360 -6.197 1.00 0.00 C ATOM 209 C ASN A 928 4.459 0.961 -4.922 1.00 0.00 C ATOM 210 O ASN A 928 4.216 2.164 -4.854 1.00 0.00 O ATOM 211 CB ASN A 928 3.905 -0.189 -7.043 1.00 0.00 C ATOM 212 CG ASN A 928 3.363 0.882 -7.992 1.00 0.00 C ATOM 213 OD1 ASN A 928 2.973 1.966 -7.588 1.00 0.00 O ATOM 214 ND2 ASN A 928 3.360 0.521 -9.271 1.00 0.00 N ATOM 0 H ASN A 928 5.876 -1.562 -6.364 1.00 0.00 H new ATOM 0 HA ASN A 928 5.597 1.113 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 928 4.250 -1.049 -7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.105 -0.541 -6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 928 3.017 1.167 -9.982 1.00 0.00 H new ATOM 0 HD22 ASN A 928 3.701 -0.402 -9.541 1.00 0.00 H new ATOM 221 N VAL A 929 4.242 0.094 -3.943 1.00 0.00 N ATOM 222 CA VAL A 929 3.679 0.525 -2.675 1.00 0.00 C ATOM 223 C VAL A 929 4.678 1.439 -1.963 1.00 0.00 C ATOM 224 O VAL A 929 4.399 2.617 -1.742 1.00 0.00 O ATOM 225 CB VAL A 929 3.282 -0.693 -1.838 1.00 0.00 C ATOM 226 CG1 VAL A 929 2.935 -0.285 -0.405 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.123 -1.451 -2.489 1.00 0.00 C ATOM 0 H VAL A 929 4.446 -0.904 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 929 2.769 1.102 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 929 4.140 -1.364 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.656 -1.170 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.800 0.189 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 929 2.101 0.416 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 929 1.860 -2.312 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.260 -0.791 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.422 -1.791 -3.481 1.00 0.00 H new ATOM 237 N THR A 930 5.821 0.862 -1.623 1.00 0.00 N ATOM 238 CA THR A 930 6.863 1.611 -0.940 1.00 0.00 C ATOM 239 C THR A 930 7.054 2.979 -1.597 1.00 0.00 C ATOM 240 O THR A 930 6.829 4.011 -0.966 1.00 0.00 O ATOM 241 CB THR A 930 8.132 0.756 -0.935 1.00 0.00 C ATOM 242 OG1 THR A 930 8.072 0.037 -2.163 1.00 0.00 O ATOM 243 CG2 THR A 930 8.100 -0.334 0.138 1.00 0.00 C ATOM 0 H THR A 930 6.049 -0.115 -1.807 1.00 0.00 H new ATOM 0 HA THR A 930 6.589 1.818 0.094 1.00 0.00 H new ATOM 0 HB THR A 930 9.000 1.396 -0.775 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.872 -0.905 -1.981 1.00 0.00 H new ATOM 0 HG21 THR A 930 9.024 -0.911 0.098 1.00 0.00 H new ATOM 0 HG22 THR A 930 8.002 0.126 1.121 1.00 0.00 H new ATOM 0 HG23 THR A 930 7.251 -0.995 -0.040 1.00 0.00 H new ATOM 251 N GLY A 931 7.467 2.943 -2.855 1.00 0.00 N ATOM 252 CA GLY A 931 7.691 4.168 -3.604 1.00 0.00 C ATOM 253 C GLY A 931 6.511 5.130 -3.448 1.00 0.00 C ATOM 254 O GLY A 931 6.681 6.345 -3.537 1.00 0.00 O ATOM 0 H GLY A 931 7.652 2.085 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.605 4.649 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 931 7.836 3.932 -4.658 1.00 0.00 H new ATOM 258 N LEU A 932 5.343 4.550 -3.218 1.00 0.00 N ATOM 259 CA LEU A 932 4.135 5.341 -3.048 1.00 0.00 C ATOM 260 C LEU A 932 4.191 6.066 -1.702 1.00 0.00 C ATOM 261 O LEU A 932 4.136 7.294 -1.652 1.00 0.00 O ATOM 262 CB LEU A 932 2.893 4.466 -3.224 1.00 0.00 C ATOM 263 CG LEU A 932 1.902 4.465 -2.059 1.00 0.00 C ATOM 264 CD1 LEU A 932 1.411 5.882 -1.755 1.00 0.00 C ATOM 265 CD2 LEU A 932 0.743 3.502 -2.324 1.00 0.00 C ATOM 0 H LEU A 932 5.207 3.542 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 932 4.069 6.107 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.368 4.792 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.218 3.440 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 932 2.422 4.106 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.708 5.853 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.260 6.512 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 932 0.915 6.292 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.054 3.521 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 932 0.217 3.806 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.131 2.492 -2.452 1.00 0.00 H new ATOM 277 N VAL A 933 4.299 5.276 -0.644 1.00 0.00 N ATOM 278 CA VAL A 933 4.363 5.827 0.698 1.00 0.00 C ATOM 279 C VAL A 933 5.653 6.635 0.853 1.00 0.00 C ATOM 280 O VAL A 933 5.656 7.692 1.482 1.00 0.00 O ATOM 281 CB VAL A 933 4.233 4.706 1.731 1.00 0.00 C ATOM 282 CG1 VAL A 933 2.872 4.015 1.622 1.00 0.00 C ATOM 283 CG2 VAL A 933 5.374 3.696 1.591 1.00 0.00 C ATOM 0 H VAL A 933 4.344 4.258 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 933 3.530 6.508 0.870 1.00 0.00 H new ATOM 0 HB VAL A 933 4.303 5.154 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 933 2.806 3.222 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 933 2.079 4.743 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 933 2.760 3.587 0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 933 5.258 2.910 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 933 5.351 3.256 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 933 6.328 4.201 1.742 1.00 0.00 H new ATOM 293 N LYS A 934 6.718 6.107 0.268 1.00 0.00 N ATOM 294 CA LYS A 934 8.011 6.766 0.332 1.00 0.00 C ATOM 295 C LYS A 934 7.905 8.153 -0.306 1.00 0.00 C ATOM 296 O LYS A 934 8.619 9.076 0.083 1.00 0.00 O ATOM 297 CB LYS A 934 9.094 5.884 -0.292 1.00 0.00 C ATOM 298 CG LYS A 934 9.212 4.552 0.452 1.00 0.00 C ATOM 299 CD LYS A 934 10.601 4.394 1.076 1.00 0.00 C ATOM 300 CE LYS A 934 11.119 2.965 0.904 1.00 0.00 C ATOM 301 NZ LYS A 934 12.474 2.832 1.484 1.00 0.00 N ATOM 0 H LYS A 934 6.712 5.230 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 934 8.311 6.914 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 934 8.859 5.700 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.051 6.405 -0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.451 4.498 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.023 3.729 -0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.295 5.095 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 934 10.558 4.644 2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 934 10.439 2.265 1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 934 11.143 2.705 -0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 12.811 1.856 1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 13.123 3.487 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 12.441 3.060 2.498 1.00 0.00 H new ATOM 315 N ALA A 935 7.007 8.256 -1.275 1.00 0.00 N ATOM 316 CA ALA A 935 6.798 9.514 -1.971 1.00 0.00 C ATOM 317 C ALA A 935 5.715 10.317 -1.248 1.00 0.00 C ATOM 318 O ALA A 935 5.915 11.487 -0.926 1.00 0.00 O ATOM 319 CB ALA A 935 6.441 9.236 -3.432 1.00 0.00 C ATOM 0 H ALA A 935 6.416 7.489 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 935 7.710 10.112 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.284 10.180 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.255 8.689 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.529 8.641 -3.477 1.00 0.00 H new ATOM 325 N VAL A 936 4.590 9.657 -1.014 1.00 0.00 N ATOM 326 CA VAL A 936 3.475 10.295 -0.336 1.00 0.00 C ATOM 327 C VAL A 936 4.010 11.204 0.772 1.00 0.00 C ATOM 328 O VAL A 936 3.473 12.286 1.006 1.00 0.00 O ATOM 329 CB VAL A 936 2.500 9.234 0.180 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.156 9.476 1.651 1.00 0.00 C ATOM 331 CG2 VAL A 936 1.235 9.187 -0.679 1.00 0.00 C ATOM 0 H VAL A 936 4.427 8.686 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 936 2.915 10.923 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 936 2.990 8.263 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.462 8.709 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 936 3.066 9.435 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.694 10.457 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 936 0.559 8.425 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 936 0.741 10.158 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 936 1.502 8.945 -1.707 1.00 0.00 H new ATOM 341 N ILE A 937 5.062 10.732 1.425 1.00 0.00 N ATOM 342 CA ILE A 937 5.676 11.489 2.502 1.00 0.00 C ATOM 343 C ILE A 937 6.667 12.494 1.913 1.00 0.00 C ATOM 344 O ILE A 937 6.471 13.703 2.026 1.00 0.00 O ATOM 345 CB ILE A 937 6.298 10.545 3.534 1.00 0.00 C ATOM 346 CG1 ILE A 937 5.216 9.844 4.358 1.00 0.00 C ATOM 347 CG2 ILE A 937 7.303 11.285 4.418 1.00 0.00 C ATOM 348 CD1 ILE A 937 5.691 8.469 4.832 1.00 0.00 C ATOM 0 H ILE A 937 5.505 9.834 1.229 1.00 0.00 H new ATOM 0 HA ILE A 937 4.922 12.063 3.042 1.00 0.00 H new ATOM 0 HB ILE A 937 6.848 9.770 3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 937 4.954 10.459 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 937 4.312 9.734 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 937 7.730 10.592 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 937 8.099 11.697 3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 937 6.797 12.094 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 937 4.903 7.993 5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 937 5.929 7.848 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 937 6.581 8.585 5.451 1.00 0.00 H new ATOM 360 N GLU A 938 7.710 11.957 1.297 1.00 0.00 N ATOM 361 CA GLU A 938 8.732 12.793 0.690 1.00 0.00 C ATOM 362 C GLU A 938 8.131 14.128 0.245 1.00 0.00 C ATOM 363 O GLU A 938 8.685 15.188 0.533 1.00 0.00 O ATOM 364 CB GLU A 938 9.401 12.075 -0.484 1.00 0.00 C ATOM 365 CG GLU A 938 10.899 11.889 -0.231 1.00 0.00 C ATOM 366 CD GLU A 938 11.208 10.452 0.195 1.00 0.00 C ATOM 367 OE1 GLU A 938 11.423 9.624 -0.716 1.00 0.00 O ATOM 368 OE2 GLU A 938 11.224 10.215 1.422 1.00 0.00 O ATOM 0 H GLU A 938 7.869 10.954 1.205 1.00 0.00 H new ATOM 0 HA GLU A 938 9.500 12.994 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 938 8.931 11.103 -0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.251 12.649 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.457 12.132 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.229 12.581 0.544 1.00 0.00 H new ATOM 375 N MET A 939 7.007 14.033 -0.449 1.00 0.00 N ATOM 376 CA MET A 939 6.325 15.220 -0.936 1.00 0.00 C ATOM 377 C MET A 939 6.307 16.317 0.130 1.00 0.00 C ATOM 378 O MET A 939 7.034 17.304 0.023 1.00 0.00 O ATOM 379 CB MET A 939 4.890 14.861 -1.325 1.00 0.00 C ATOM 380 CG MET A 939 4.024 16.117 -1.444 1.00 0.00 C ATOM 381 SD MET A 939 3.003 16.019 -2.905 1.00 0.00 S ATOM 382 CE MET A 939 2.512 14.304 -2.825 1.00 0.00 C ATOM 0 H MET A 939 6.551 13.152 -0.686 1.00 0.00 H new ATOM 0 HA MET A 939 6.863 15.595 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 939 4.890 14.324 -2.273 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.464 14.190 -0.579 1.00 0.00 H new ATOM 0 HG2 MET A 939 3.397 16.222 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 939 4.658 17.002 -1.492 1.00 0.00 H new ATOM 0 HE1 MET A 939 1.560 14.174 -3.339 1.00 0.00 H new ATOM 0 HE2 MET A 939 3.271 13.686 -3.304 1.00 0.00 H new ATOM 0 HE3 MET A 939 2.405 14.004 -1.782 1.00 0.00 H new ATOM 392 N SER A 940 5.467 16.109 1.133 1.00 0.00 N ATOM 393 CA SER A 940 5.344 17.068 2.218 1.00 0.00 C ATOM 394 C SER A 940 6.717 17.650 2.560 1.00 0.00 C ATOM 395 O SER A 940 6.834 18.835 2.868 1.00 0.00 O ATOM 396 CB SER A 940 4.717 16.423 3.455 1.00 0.00 C ATOM 397 OG SER A 940 3.295 16.398 3.382 1.00 0.00 O ATOM 0 H SER A 940 4.865 15.290 1.217 1.00 0.00 H new ATOM 0 HA SER A 940 4.687 17.873 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 940 5.092 15.405 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 940 5.025 16.972 4.345 1.00 0.00 H new ATOM 0 HG SER A 940 2.927 17.133 3.916 1.00 0.00 H new ATOM 403 N SER A 941 7.722 16.789 2.494 1.00 0.00 N ATOM 404 CA SER A 941 9.083 17.203 2.793 1.00 0.00 C ATOM 405 C SER A 941 9.515 18.313 1.833 1.00 0.00 C ATOM 406 O SER A 941 9.992 19.361 2.265 1.00 0.00 O ATOM 407 CB SER A 941 10.049 16.020 2.708 1.00 0.00 C ATOM 408 OG SER A 941 10.923 15.962 3.833 1.00 0.00 O ATOM 0 H SER A 941 7.621 15.807 2.238 1.00 0.00 H new ATOM 0 HA SER A 941 9.109 17.585 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 941 9.481 15.092 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 941 10.639 16.098 1.795 1.00 0.00 H new ATOM 0 HG SER A 941 11.523 15.192 3.742 1.00 0.00 H new ATOM 414 N LYS A 942 9.334 18.044 0.548 1.00 0.00 N ATOM 415 CA LYS A 942 9.699 19.006 -0.477 1.00 0.00 C ATOM 416 C LYS A 942 8.432 19.655 -1.036 1.00 0.00 C ATOM 417 O LYS A 942 8.400 20.067 -2.195 1.00 0.00 O ATOM 418 CB LYS A 942 10.574 18.346 -1.544 1.00 0.00 C ATOM 419 CG LYS A 942 9.821 17.215 -2.248 1.00 0.00 C ATOM 420 CD LYS A 942 10.117 17.211 -3.749 1.00 0.00 C ATOM 421 CE LYS A 942 8.944 17.794 -4.541 1.00 0.00 C ATOM 422 NZ LYS A 942 9.429 18.765 -5.546 1.00 0.00 N ATOM 0 H LYS A 942 8.939 17.173 0.194 1.00 0.00 H new ATOM 0 HA LYS A 942 10.305 19.805 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 942 10.885 19.091 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.481 17.953 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.108 16.257 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 942 8.749 17.330 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 942 11.018 17.791 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.314 16.192 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.397 16.992 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.246 18.283 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.621 19.151 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.931 19.540 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 10.077 18.288 -6.205 1.00 0.00 H new ATOM 436 N ILE A 943 7.417 19.727 -0.186 1.00 0.00 N ATOM 437 CA ILE A 943 6.151 20.319 -0.581 1.00 0.00 C ATOM 438 C ILE A 943 6.129 21.791 -0.165 1.00 0.00 C ATOM 439 O ILE A 943 5.830 22.665 -0.977 1.00 0.00 O ATOM 440 CB ILE A 943 4.982 19.504 -0.024 1.00 0.00 C ATOM 441 CG1 ILE A 943 3.870 19.358 -1.064 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.466 20.109 1.284 1.00 0.00 C ATOM 443 CD1 ILE A 943 2.960 20.588 -1.073 1.00 0.00 C ATOM 0 H ILE A 943 7.447 19.385 0.774 1.00 0.00 H new ATOM 0 HA ILE A 943 6.040 20.293 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 943 5.343 18.501 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.308 19.219 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.280 18.467 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.635 19.511 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.268 20.119 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.126 21.129 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.179 20.457 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.504 20.711 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 943 3.548 21.474 -1.313 1.00 0.00 H new ATOM 455 N GLN A 944 6.449 22.020 1.100 1.00 0.00 N ATOM 456 CA GLN A 944 6.470 23.371 1.635 1.00 0.00 C ATOM 457 C GLN A 944 7.141 24.323 0.643 1.00 0.00 C ATOM 458 O GLN A 944 6.572 25.353 0.283 1.00 0.00 O ATOM 459 CB GLN A 944 7.171 23.412 2.994 1.00 0.00 C ATOM 460 CG GLN A 944 6.241 23.970 4.073 1.00 0.00 C ATOM 461 CD GLN A 944 6.840 23.774 5.468 1.00 0.00 C ATOM 462 OE1 GLN A 944 7.120 24.718 6.189 1.00 0.00 O ATOM 463 NE2 GLN A 944 7.020 22.501 5.805 1.00 0.00 N ATOM 0 H GLN A 944 6.696 21.292 1.771 1.00 0.00 H new ATOM 0 HA GLN A 944 5.441 23.698 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 944 7.495 22.409 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.067 24.029 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 944 6.066 25.031 3.894 1.00 0.00 H new ATOM 0 HG3 GLN A 944 5.273 23.473 4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 944 6.764 21.760 5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 944 7.415 22.265 6.716 1.00 0.00 H new ATOM 472 N PRO A 945 8.374 23.936 0.218 1.00 0.00 N ATOM 473 CA PRO A 945 9.128 24.744 -0.725 1.00 0.00 C ATOM 474 C PRO A 945 8.560 24.609 -2.140 1.00 0.00 C ATOM 475 O PRO A 945 8.250 25.609 -2.786 1.00 0.00 O ATOM 476 CB PRO A 945 10.560 24.247 -0.611 1.00 0.00 C ATOM 477 CG PRO A 945 10.476 22.878 0.043 1.00 0.00 C ATOM 478 CD PRO A 945 9.079 22.723 0.622 1.00 0.00 C ATOM 0 HA PRO A 945 9.071 25.810 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.030 24.183 -1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.164 24.929 -0.012 1.00 0.00 H new ATOM 0 HG2 PRO A 945 10.676 22.093 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.227 22.783 0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.586 21.831 0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.109 22.625 1.707 1.00 0.00 H new ATOM 486 N ALA A 946 8.440 23.365 -2.579 1.00 0.00 N ATOM 487 CA ALA A 946 7.915 23.087 -3.905 1.00 0.00 C ATOM 488 C ALA A 946 6.855 24.132 -4.258 1.00 0.00 C ATOM 489 O ALA A 946 5.947 24.391 -3.470 1.00 0.00 O ATOM 490 CB ALA A 946 7.364 21.660 -3.947 1.00 0.00 C ATOM 0 H ALA A 946 8.697 22.538 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 946 8.705 23.153 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 946 6.970 21.451 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.163 20.955 -3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.566 21.556 -3.212 1.00 0.00 H new ATOM 496 N PRO A 947 7.009 24.719 -5.475 1.00 0.00 N ATOM 497 CA PRO A 947 6.076 25.729 -5.943 1.00 0.00 C ATOM 498 C PRO A 947 4.753 25.095 -6.378 1.00 0.00 C ATOM 499 O PRO A 947 4.614 23.873 -6.369 1.00 0.00 O ATOM 500 CB PRO A 947 6.798 26.436 -7.078 1.00 0.00 C ATOM 501 CG PRO A 947 7.914 25.499 -7.511 1.00 0.00 C ATOM 502 CD PRO A 947 8.073 24.437 -6.435 1.00 0.00 C ATOM 0 HA PRO A 947 5.798 26.438 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.118 26.642 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.199 27.395 -6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.676 25.039 -8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 947 8.845 26.050 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 947 7.975 23.434 -6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.055 24.493 -5.965 1.00 0.00 H new ATOM 510 N PRO A 948 3.791 25.977 -6.758 1.00 0.00 N ATOM 511 CA PRO A 948 2.484 25.516 -7.196 1.00 0.00 C ATOM 512 C PRO A 948 2.554 24.931 -8.608 1.00 0.00 C ATOM 513 O PRO A 948 1.652 24.208 -9.030 1.00 0.00 O ATOM 514 CB PRO A 948 1.585 26.738 -7.104 1.00 0.00 C ATOM 515 CG PRO A 948 2.516 27.939 -7.065 1.00 0.00 C ATOM 516 CD PRO A 948 3.920 27.431 -6.782 1.00 0.00 C ATOM 0 HA PRO A 948 2.096 24.705 -6.580 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.912 26.793 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.962 26.698 -6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.488 28.475 -8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.201 28.641 -6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.620 27.754 -7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.294 27.811 -5.831 1.00 0.00 H new ATOM 524 N GLU A 949 3.634 25.265 -9.300 1.00 0.00 N ATOM 525 CA GLU A 949 3.833 24.781 -10.655 1.00 0.00 C ATOM 526 C GLU A 949 4.510 23.409 -10.635 1.00 0.00 C ATOM 527 O GLU A 949 4.493 22.690 -11.633 1.00 0.00 O ATOM 528 CB GLU A 949 4.645 25.781 -11.480 1.00 0.00 C ATOM 529 CG GLU A 949 3.766 26.474 -12.523 1.00 0.00 C ATOM 530 CD GLU A 949 4.591 26.900 -13.740 1.00 0.00 C ATOM 531 OE1 GLU A 949 5.462 27.777 -13.555 1.00 0.00 O ATOM 532 OE2 GLU A 949 4.330 26.340 -14.826 1.00 0.00 O ATOM 0 H GLU A 949 4.380 25.865 -8.947 1.00 0.00 H new ATOM 0 HA GLU A 949 2.857 24.676 -11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.089 26.527 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.467 25.265 -11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 949 2.969 25.800 -12.837 1.00 0.00 H new ATOM 0 HG3 GLU A 949 3.289 27.348 -12.079 1.00 0.00 H new ATOM 539 N GLU A 950 5.089 23.087 -9.488 1.00 0.00 N ATOM 540 CA GLU A 950 5.771 21.814 -9.325 1.00 0.00 C ATOM 541 C GLU A 950 4.998 20.920 -8.353 1.00 0.00 C ATOM 542 O GLU A 950 5.379 19.773 -8.124 1.00 0.00 O ATOM 543 CB GLU A 950 7.212 22.020 -8.854 1.00 0.00 C ATOM 544 CG GLU A 950 8.195 21.265 -9.751 1.00 0.00 C ATOM 545 CD GLU A 950 8.935 22.226 -10.683 1.00 0.00 C ATOM 546 OE1 GLU A 950 8.275 22.733 -11.616 1.00 0.00 O ATOM 547 OE2 GLU A 950 10.144 22.432 -10.442 1.00 0.00 O ATOM 0 H GLU A 950 5.100 23.686 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 950 5.809 21.317 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.452 23.083 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.315 21.676 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.914 20.724 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.658 20.522 -10.341 1.00 0.00 H new ATOM 554 N TYR A 951 3.927 21.478 -7.808 1.00 0.00 N ATOM 555 CA TYR A 951 3.098 20.745 -6.867 1.00 0.00 C ATOM 556 C TYR A 951 1.938 20.050 -7.583 1.00 0.00 C ATOM 557 O TYR A 951 1.600 18.911 -7.264 1.00 0.00 O ATOM 558 CB TYR A 951 2.534 21.789 -5.901 1.00 0.00 C ATOM 559 CG TYR A 951 1.752 21.193 -4.728 1.00 0.00 C ATOM 560 CD1 TYR A 951 1.777 19.832 -4.503 1.00 0.00 C ATOM 561 CD2 TYR A 951 1.023 22.017 -3.895 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.041 19.271 -3.399 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.288 21.457 -2.791 1.00 0.00 C ATOM 564 CZ TYR A 951 0.333 20.111 -2.598 1.00 0.00 C ATOM 565 OH TYR A 951 -0.362 19.582 -1.556 1.00 0.00 O ATOM 0 H TYR A 951 3.614 22.430 -8.000 1.00 0.00 H new ATOM 0 HA TYR A 951 3.681 19.977 -6.359 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.356 22.388 -5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 951 1.881 22.465 -6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 951 2.348 19.187 -5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 951 1.004 23.082 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.051 18.207 -3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.286 22.091 -2.131 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.819 20.300 -1.070 1.00 0.00 H new ATOM 575 N VAL A 952 1.361 20.765 -8.537 1.00 0.00 N ATOM 576 CA VAL A 952 0.246 20.231 -9.301 1.00 0.00 C ATOM 577 C VAL A 952 0.623 18.854 -9.851 1.00 0.00 C ATOM 578 O VAL A 952 -0.150 17.904 -9.737 1.00 0.00 O ATOM 579 CB VAL A 952 -0.160 21.221 -10.395 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.531 20.488 -11.686 1.00 0.00 C ATOM 581 CG2 VAL A 952 -1.307 22.118 -9.925 1.00 0.00 C ATOM 0 H VAL A 952 1.644 21.709 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.626 20.098 -8.661 1.00 0.00 H new ATOM 0 HB VAL A 952 0.699 21.859 -10.606 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.816 21.214 -12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.325 19.912 -12.036 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.367 19.815 -11.495 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.576 22.812 -10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.171 21.502 -9.673 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.993 22.679 -9.045 1.00 0.00 H new ATOM 591 N PRO A 953 1.842 18.788 -10.449 1.00 0.00 N ATOM 592 CA PRO A 953 2.331 17.543 -11.017 1.00 0.00 C ATOM 593 C PRO A 953 2.780 16.578 -9.917 1.00 0.00 C ATOM 594 O PRO A 953 2.394 15.411 -9.914 1.00 0.00 O ATOM 595 CB PRO A 953 3.462 17.951 -11.947 1.00 0.00 C ATOM 596 CG PRO A 953 3.870 19.351 -11.516 1.00 0.00 C ATOM 597 CD PRO A 953 2.784 19.893 -10.601 1.00 0.00 C ATOM 0 HA PRO A 953 1.561 16.999 -11.564 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.300 17.259 -11.870 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.135 17.942 -12.987 1.00 0.00 H new ATOM 0 HG2 PRO A 953 4.829 19.326 -10.998 1.00 0.00 H new ATOM 0 HG3 PRO A 953 3.994 19.997 -12.385 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.194 20.199 -9.638 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.301 20.768 -11.035 1.00 0.00 H new ATOM 605 N MET A 954 3.591 17.102 -9.009 1.00 0.00 N ATOM 606 CA MET A 954 4.097 16.303 -7.907 1.00 0.00 C ATOM 607 C MET A 954 3.071 15.253 -7.475 1.00 0.00 C ATOM 608 O MET A 954 3.383 14.066 -7.405 1.00 0.00 O ATOM 609 CB MET A 954 4.425 17.214 -6.723 1.00 0.00 C ATOM 610 CG MET A 954 5.845 16.962 -6.214 1.00 0.00 C ATOM 611 SD MET A 954 5.887 17.084 -4.434 1.00 0.00 S ATOM 612 CE MET A 954 5.201 18.718 -4.219 1.00 0.00 C ATOM 0 H MET A 954 3.910 18.071 -9.015 1.00 0.00 H new ATOM 0 HA MET A 954 4.998 15.788 -8.240 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.322 18.257 -7.023 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.710 17.042 -5.918 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.182 15.974 -6.527 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.531 17.687 -6.653 1.00 0.00 H new ATOM 0 HE1 MET A 954 5.728 19.231 -3.415 1.00 0.00 H new ATOM 0 HE2 MET A 954 5.311 19.284 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 954 4.144 18.638 -3.966 1.00 0.00 H new ATOM 622 N VAL A 955 1.866 15.730 -7.195 1.00 0.00 N ATOM 623 CA VAL A 955 0.792 14.847 -6.772 1.00 0.00 C ATOM 624 C VAL A 955 0.387 13.947 -7.940 1.00 0.00 C ATOM 625 O VAL A 955 0.297 12.730 -7.789 1.00 0.00 O ATOM 626 CB VAL A 955 -0.373 15.670 -6.218 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.559 14.770 -5.863 1.00 0.00 C ATOM 628 CG2 VAL A 955 0.066 16.500 -5.011 1.00 0.00 C ATOM 0 H VAL A 955 1.610 16.716 -7.253 1.00 0.00 H new ATOM 0 HA VAL A 955 1.127 14.197 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.697 16.360 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.374 15.379 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -1.896 14.243 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.253 14.045 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.781 17.075 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.429 15.837 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.864 17.181 -5.308 1.00 0.00 H new ATOM 638 N LYS A 956 0.153 14.580 -9.080 1.00 0.00 N ATOM 639 CA LYS A 956 -0.241 13.852 -10.274 1.00 0.00 C ATOM 640 C LYS A 956 0.631 12.603 -10.415 1.00 0.00 C ATOM 641 O LYS A 956 0.156 11.556 -10.852 1.00 0.00 O ATOM 642 CB LYS A 956 -0.204 14.769 -11.498 1.00 0.00 C ATOM 643 CG LYS A 956 -1.316 15.817 -11.433 1.00 0.00 C ATOM 644 CD LYS A 956 -2.628 15.260 -11.990 1.00 0.00 C ATOM 645 CE LYS A 956 -2.600 15.220 -13.519 1.00 0.00 C ATOM 646 NZ LYS A 956 -2.740 13.828 -14.004 1.00 0.00 N ATOM 0 H LYS A 956 0.229 15.590 -9.202 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.274 13.513 -10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.765 15.265 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -0.312 14.175 -12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.461 16.135 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -1.022 16.700 -12.000 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -2.796 14.256 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -3.461 15.877 -11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -3.407 15.834 -13.920 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.665 15.646 -13.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -2.719 13.819 -15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -1.956 13.252 -13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -3.644 13.434 -13.673 1.00 0.00 H new ATOM 660 N GLU A 957 1.891 12.754 -10.036 1.00 0.00 N ATOM 661 CA GLU A 957 2.834 11.651 -10.114 1.00 0.00 C ATOM 662 C GLU A 957 2.428 10.536 -9.148 1.00 0.00 C ATOM 663 O GLU A 957 2.006 9.463 -9.576 1.00 0.00 O ATOM 664 CB GLU A 957 4.260 12.128 -9.833 1.00 0.00 C ATOM 665 CG GLU A 957 5.150 10.964 -9.389 1.00 0.00 C ATOM 666 CD GLU A 957 6.628 11.287 -9.616 1.00 0.00 C ATOM 667 OE1 GLU A 957 7.103 12.252 -8.979 1.00 0.00 O ATOM 668 OE2 GLU A 957 7.250 10.561 -10.422 1.00 0.00 O ATOM 0 H GLU A 957 2.281 13.624 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 957 2.813 11.252 -11.128 1.00 0.00 H new ATOM 0 HB2 GLU A 957 4.677 12.588 -10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.245 12.895 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 957 4.978 10.752 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 957 4.881 10.064 -9.943 1.00 0.00 H new ATOM 675 N VAL A 958 2.570 10.829 -7.864 1.00 0.00 N ATOM 676 CA VAL A 958 2.223 9.864 -6.834 1.00 0.00 C ATOM 677 C VAL A 958 0.899 9.190 -7.198 1.00 0.00 C ATOM 678 O VAL A 958 0.781 7.967 -7.130 1.00 0.00 O ATOM 679 CB VAL A 958 2.189 10.549 -5.466 1.00 0.00 C ATOM 680 CG1 VAL A 958 1.554 9.638 -4.413 1.00 0.00 C ATOM 681 CG2 VAL A 958 3.590 10.989 -5.038 1.00 0.00 C ATOM 0 H VAL A 958 2.920 11.720 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 958 2.980 9.082 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 958 1.570 11.442 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 958 1.542 10.148 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 958 0.533 9.397 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 958 2.134 8.719 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 958 3.537 11.473 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 958 4.242 10.118 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 958 3.990 11.691 -5.770 1.00 0.00 H new ATOM 691 N GLY A 959 -0.065 10.016 -7.578 1.00 0.00 N ATOM 692 CA GLY A 959 -1.376 9.515 -7.953 1.00 0.00 C ATOM 693 C GLY A 959 -1.265 8.457 -9.053 1.00 0.00 C ATOM 694 O GLY A 959 -1.977 7.455 -9.029 1.00 0.00 O ATOM 0 H GLY A 959 0.036 11.029 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -1.869 9.087 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -1.999 10.340 -8.298 1.00 0.00 H new ATOM 698 N LEU A 960 -0.365 8.717 -9.990 1.00 0.00 N ATOM 699 CA LEU A 960 -0.151 7.799 -11.096 1.00 0.00 C ATOM 700 C LEU A 960 0.343 6.458 -10.553 1.00 0.00 C ATOM 701 O LEU A 960 -0.003 5.403 -11.083 1.00 0.00 O ATOM 702 CB LEU A 960 0.782 8.423 -12.136 1.00 0.00 C ATOM 703 CG LEU A 960 0.254 8.463 -13.572 1.00 0.00 C ATOM 704 CD1 LEU A 960 1.055 9.451 -14.423 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.232 7.063 -14.188 1.00 0.00 C ATOM 0 H LEU A 960 0.224 9.550 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.089 7.605 -11.617 1.00 0.00 H new ATOM 0 HB2 LEU A 960 1.010 9.443 -11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.721 7.870 -12.131 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.776 8.820 -13.547 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.660 9.460 -15.439 1.00 0.00 H new ATOM 0 HD12 LEU A 960 0.975 10.450 -13.993 1.00 0.00 H new ATOM 0 HD13 LEU A 960 2.102 9.148 -14.444 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -0.147 7.120 -15.208 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.242 6.654 -14.199 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.415 6.415 -13.596 1.00 0.00 H new ATOM 717 N ALA A 961 1.145 6.541 -9.501 1.00 0.00 N ATOM 718 CA ALA A 961 1.691 5.346 -8.880 1.00 0.00 C ATOM 719 C ALA A 961 0.544 4.420 -8.471 1.00 0.00 C ATOM 720 O ALA A 961 0.593 3.217 -8.721 1.00 0.00 O ATOM 721 CB ALA A 961 2.571 5.744 -7.693 1.00 0.00 C ATOM 0 H ALA A 961 1.430 7.417 -9.063 1.00 0.00 H new ATOM 0 HA ALA A 961 2.320 4.801 -9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.981 4.848 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.387 6.377 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 961 1.973 6.291 -6.964 1.00 0.00 H new ATOM 727 N LEU A 962 -0.462 5.017 -7.848 1.00 0.00 N ATOM 728 CA LEU A 962 -1.620 4.260 -7.402 1.00 0.00 C ATOM 729 C LEU A 962 -2.209 3.491 -8.586 1.00 0.00 C ATOM 730 O LEU A 962 -2.369 2.273 -8.521 1.00 0.00 O ATOM 731 CB LEU A 962 -2.625 5.180 -6.705 1.00 0.00 C ATOM 732 CG LEU A 962 -2.209 5.710 -5.331 1.00 0.00 C ATOM 733 CD1 LEU A 962 -1.978 4.561 -4.347 1.00 0.00 C ATOM 734 CD2 LEU A 962 -0.986 6.623 -5.443 1.00 0.00 C ATOM 0 H LEU A 962 -0.499 6.015 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.328 3.521 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.821 6.031 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.566 4.640 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.026 6.313 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.683 4.965 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.898 3.987 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -1.188 3.912 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -0.711 6.986 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.153 6.064 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.222 7.470 -6.087 1.00 0.00 H new ATOM 746 N ARG A 963 -2.515 4.234 -9.639 1.00 0.00 N ATOM 747 CA ARG A 963 -3.083 3.637 -10.836 1.00 0.00 C ATOM 748 C ARG A 963 -2.366 2.326 -11.167 1.00 0.00 C ATOM 749 O ARG A 963 -3.002 1.281 -11.295 1.00 0.00 O ATOM 750 CB ARG A 963 -2.972 4.586 -12.031 1.00 0.00 C ATOM 751 CG ARG A 963 -4.181 4.444 -12.958 1.00 0.00 C ATOM 752 CD ARG A 963 -5.095 5.667 -12.858 1.00 0.00 C ATOM 753 NE ARG A 963 -4.581 6.754 -13.720 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.259 7.875 -14.000 1.00 0.00 C ATOM 755 NH1 ARG A 963 -6.484 8.063 -13.489 1.00 0.00 N ATOM 756 NH2 ARG A 963 -4.714 8.809 -14.792 1.00 0.00 N ATOM 0 H ARG A 963 -2.380 5.244 -9.688 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.137 3.440 -10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -2.899 5.615 -11.678 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -2.058 4.374 -12.585 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -3.843 4.322 -13.987 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -4.740 3.545 -12.697 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.108 5.400 -13.160 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -5.150 6.007 -11.824 1.00 0.00 H new ATOM 0 HE ARG A 963 -3.652 6.643 -14.127 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -6.900 7.352 -12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -7.000 8.917 -13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -3.782 8.667 -15.182 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -5.231 9.662 -15.005 1.00 0.00 H new ATOM 770 N THR A 964 -1.051 2.424 -11.295 1.00 0.00 N ATOM 771 CA THR A 964 -0.240 1.259 -11.608 1.00 0.00 C ATOM 772 C THR A 964 -0.307 0.241 -10.469 1.00 0.00 C ATOM 773 O THR A 964 -0.482 -0.953 -10.708 1.00 0.00 O ATOM 774 CB THR A 964 1.180 1.739 -11.912 1.00 0.00 C ATOM 775 OG1 THR A 964 1.051 2.455 -13.137 1.00 0.00 O ATOM 776 CG2 THR A 964 2.128 0.587 -12.252 1.00 0.00 C ATOM 0 H THR A 964 -0.527 3.292 -11.188 1.00 0.00 H new ATOM 0 HA THR A 964 -0.618 0.739 -12.488 1.00 0.00 H new ATOM 0 HB THR A 964 1.568 2.287 -11.054 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.927 2.803 -13.406 1.00 0.00 H new ATOM 0 HG21 THR A 964 3.122 0.983 -12.459 1.00 0.00 H new ATOM 0 HG22 THR A 964 2.180 -0.102 -11.409 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.758 0.058 -13.130 1.00 0.00 H new ATOM 784 N LEU A 965 -0.165 0.750 -9.254 1.00 0.00 N ATOM 785 CA LEU A 965 -0.207 -0.100 -8.076 1.00 0.00 C ATOM 786 C LEU A 965 -1.453 -0.985 -8.136 1.00 0.00 C ATOM 787 O LEU A 965 -1.368 -2.197 -7.944 1.00 0.00 O ATOM 788 CB LEU A 965 -0.112 0.743 -6.803 1.00 0.00 C ATOM 789 CG LEU A 965 -0.753 0.141 -5.551 1.00 0.00 C ATOM 790 CD1 LEU A 965 0.162 0.303 -4.335 1.00 0.00 C ATOM 791 CD2 LEU A 965 -2.142 0.733 -5.307 1.00 0.00 C ATOM 0 H LEU A 965 -0.021 1.741 -9.060 1.00 0.00 H new ATOM 0 HA LEU A 965 0.656 -0.765 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.941 0.931 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -0.576 1.710 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.884 -0.929 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.317 -0.133 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 965 1.108 -0.205 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 965 0.347 1.362 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -2.575 0.288 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.059 1.812 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -2.783 0.522 -6.163 1.00 0.00 H new ATOM 803 N LEU A 966 -2.582 -0.346 -8.404 1.00 0.00 N ATOM 804 CA LEU A 966 -3.845 -1.060 -8.491 1.00 0.00 C ATOM 805 C LEU A 966 -3.668 -2.293 -9.380 1.00 0.00 C ATOM 806 O LEU A 966 -3.878 -3.419 -8.934 1.00 0.00 O ATOM 807 CB LEU A 966 -4.960 -0.121 -8.956 1.00 0.00 C ATOM 808 CG LEU A 966 -5.649 0.696 -7.861 1.00 0.00 C ATOM 809 CD1 LEU A 966 -4.935 2.031 -7.643 1.00 0.00 C ATOM 810 CD2 LEU A 966 -7.135 0.884 -8.171 1.00 0.00 C ATOM 0 H LEU A 966 -2.649 0.659 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.150 -1.417 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.544 0.570 -9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -5.717 -0.714 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 966 -5.583 0.140 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.444 2.592 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -3.903 1.847 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -4.948 2.606 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -7.601 1.468 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -7.245 1.409 -9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -7.619 -0.090 -8.237 1.00 0.00 H new ATOM 822 N ALA A 967 -3.282 -2.037 -10.622 1.00 0.00 N ATOM 823 CA ALA A 967 -3.075 -3.112 -11.577 1.00 0.00 C ATOM 824 C ALA A 967 -2.100 -4.132 -10.986 1.00 0.00 C ATOM 825 O ALA A 967 -2.377 -5.331 -10.984 1.00 0.00 O ATOM 826 CB ALA A 967 -2.577 -2.529 -12.901 1.00 0.00 C ATOM 0 H ALA A 967 -3.107 -1.101 -10.988 1.00 0.00 H new ATOM 0 HA ALA A 967 -4.012 -3.631 -11.781 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.421 -3.335 -13.618 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.318 -1.832 -13.293 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.636 -2.004 -12.736 1.00 0.00 H new ATOM 832 N THR A 968 -0.979 -3.620 -10.499 1.00 0.00 N ATOM 833 CA THR A 968 0.038 -4.472 -9.907 1.00 0.00 C ATOM 834 C THR A 968 -0.567 -5.328 -8.793 1.00 0.00 C ATOM 835 O THR A 968 -0.191 -6.487 -8.622 1.00 0.00 O ATOM 836 CB THR A 968 1.185 -3.578 -9.431 1.00 0.00 C ATOM 837 OG1 THR A 968 2.353 -4.209 -9.948 1.00 0.00 O ATOM 838 CG2 THR A 968 1.374 -3.626 -7.914 1.00 0.00 C ATOM 0 H THR A 968 -0.753 -2.625 -10.502 1.00 0.00 H new ATOM 0 HA THR A 968 0.437 -5.177 -10.636 1.00 0.00 H new ATOM 0 HB THR A 968 0.997 -2.550 -9.740 1.00 0.00 H new ATOM 0 HG1 THR A 968 3.089 -3.563 -9.975 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.200 -2.974 -7.629 1.00 0.00 H new ATOM 0 HG22 THR A 968 0.461 -3.290 -7.423 1.00 0.00 H new ATOM 0 HG23 THR A 968 1.596 -4.648 -7.607 1.00 0.00 H new ATOM 846 N VAL A 969 -1.494 -4.725 -8.063 1.00 0.00 N ATOM 847 CA VAL A 969 -2.155 -5.418 -6.970 1.00 0.00 C ATOM 848 C VAL A 969 -2.958 -6.594 -7.529 1.00 0.00 C ATOM 849 O VAL A 969 -2.939 -7.688 -6.966 1.00 0.00 O ATOM 850 CB VAL A 969 -3.011 -4.436 -6.169 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.734 -5.147 -5.023 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.167 -3.272 -5.647 1.00 0.00 C ATOM 0 H VAL A 969 -1.803 -3.764 -8.207 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.420 -5.827 -6.277 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.767 -4.027 -6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.336 -4.426 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.381 -5.925 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.001 -5.597 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.800 -2.589 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.378 -3.656 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.720 -2.741 -6.488 1.00 0.00 H new ATOM 862 N ASP A 970 -3.646 -6.329 -8.630 1.00 0.00 N ATOM 863 CA ASP A 970 -4.455 -7.352 -9.272 1.00 0.00 C ATOM 864 C ASP A 970 -3.616 -8.618 -9.456 1.00 0.00 C ATOM 865 O ASP A 970 -4.132 -9.730 -9.349 1.00 0.00 O ATOM 866 CB ASP A 970 -4.929 -6.894 -10.652 1.00 0.00 C ATOM 867 CG ASP A 970 -6.089 -7.701 -11.238 1.00 0.00 C ATOM 868 OD1 ASP A 970 -7.029 -7.987 -10.465 1.00 0.00 O ATOM 869 OD2 ASP A 970 -6.010 -8.013 -12.446 1.00 0.00 O ATOM 0 H ASP A 970 -3.660 -5.421 -9.094 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.321 -7.543 -8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -5.230 -5.848 -10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.087 -6.942 -11.343 1.00 0.00 H new ATOM 874 N GLU A 971 -2.337 -8.408 -9.730 1.00 0.00 N ATOM 875 CA GLU A 971 -1.422 -9.519 -9.930 1.00 0.00 C ATOM 876 C GLU A 971 -1.026 -10.129 -8.585 1.00 0.00 C ATOM 877 O GLU A 971 -0.637 -11.294 -8.518 1.00 0.00 O ATOM 878 CB GLU A 971 -0.187 -9.076 -10.717 1.00 0.00 C ATOM 879 CG GLU A 971 0.365 -10.226 -11.562 1.00 0.00 C ATOM 880 CD GLU A 971 1.185 -9.695 -12.741 1.00 0.00 C ATOM 881 OE1 GLU A 971 0.941 -8.530 -13.123 1.00 0.00 O ATOM 882 OE2 GLU A 971 2.037 -10.466 -13.232 1.00 0.00 O ATOM 0 H GLU A 971 -1.912 -7.485 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 971 -1.931 -10.283 -10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -0.444 -8.236 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 971 0.581 -8.725 -10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 971 0.988 -10.871 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -0.458 -10.838 -11.933 1.00 0.00 H new ATOM 889 N SER A 972 -1.138 -9.314 -7.545 1.00 0.00 N ATOM 890 CA SER A 972 -0.796 -9.760 -6.205 1.00 0.00 C ATOM 891 C SER A 972 -1.997 -10.458 -5.564 1.00 0.00 C ATOM 892 O SER A 972 -1.830 -11.348 -4.731 1.00 0.00 O ATOM 893 CB SER A 972 -0.338 -8.587 -5.336 1.00 0.00 C ATOM 894 OG SER A 972 0.927 -8.836 -4.728 1.00 0.00 O ATOM 0 H SER A 972 -1.461 -8.348 -7.604 1.00 0.00 H new ATOM 0 HA SER A 972 0.030 -10.467 -6.279 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.276 -7.686 -5.946 1.00 0.00 H new ATOM 0 HB3 SER A 972 -1.081 -8.397 -4.562 1.00 0.00 H new ATOM 0 HG SER A 972 0.972 -8.374 -3.865 1.00 0.00 H new ATOM 900 N LEU A 973 -3.180 -10.029 -5.976 1.00 0.00 N ATOM 901 CA LEU A 973 -4.408 -10.602 -5.452 1.00 0.00 C ATOM 902 C LEU A 973 -4.248 -12.119 -5.334 1.00 0.00 C ATOM 903 O LEU A 973 -4.511 -12.695 -4.279 1.00 0.00 O ATOM 904 CB LEU A 973 -5.606 -10.174 -6.303 1.00 0.00 C ATOM 905 CG LEU A 973 -6.762 -9.513 -5.551 1.00 0.00 C ATOM 906 CD1 LEU A 973 -8.108 -9.895 -6.169 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.704 -9.842 -4.058 1.00 0.00 C ATOM 0 H LEU A 973 -3.315 -9.291 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.607 -10.223 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.254 -9.482 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.991 -11.053 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.658 -8.432 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -8.913 -9.412 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -8.136 -9.569 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.235 -10.977 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.537 -9.360 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.770 -10.921 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -5.764 -9.480 -3.642 1.00 0.00 H new ATOM 919 N PRO A 974 -3.807 -12.740 -6.461 1.00 0.00 N ATOM 920 CA PRO A 974 -3.609 -14.179 -6.494 1.00 0.00 C ATOM 921 C PRO A 974 -2.340 -14.575 -5.737 1.00 0.00 C ATOM 922 O PRO A 974 -2.294 -15.627 -5.102 1.00 0.00 O ATOM 923 CB PRO A 974 -3.555 -14.535 -7.971 1.00 0.00 C ATOM 924 CG PRO A 974 -3.260 -13.235 -8.702 1.00 0.00 C ATOM 925 CD PRO A 974 -3.486 -12.090 -7.728 1.00 0.00 C ATOM 0 HA PRO A 974 -4.410 -14.725 -5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.781 -15.277 -8.166 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.500 -14.965 -8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.233 -13.228 -9.068 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.909 -13.130 -9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.598 -11.465 -7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.299 -11.443 -8.059 1.00 0.00 H new ATOM 933 N VAL A 975 -1.339 -13.711 -5.830 1.00 0.00 N ATOM 934 CA VAL A 975 -0.073 -13.958 -5.162 1.00 0.00 C ATOM 935 C VAL A 975 -0.338 -14.388 -3.718 1.00 0.00 C ATOM 936 O VAL A 975 0.465 -15.105 -3.123 1.00 0.00 O ATOM 937 CB VAL A 975 0.821 -12.720 -5.262 1.00 0.00 C ATOM 938 CG1 VAL A 975 1.942 -12.768 -4.222 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.390 -12.567 -6.675 1.00 0.00 C ATOM 0 H VAL A 975 -1.380 -12.839 -6.358 1.00 0.00 H new ATOM 0 HA VAL A 975 0.464 -14.771 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 975 0.206 -11.845 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.563 -11.877 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.509 -12.807 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.554 -13.655 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 975 2.022 -11.680 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.982 -13.447 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.572 -12.465 -7.388 1.00 0.00 H new ATOM 949 N LEU A 976 -1.467 -13.932 -3.196 1.00 0.00 N ATOM 950 CA LEU A 976 -1.849 -14.261 -1.833 1.00 0.00 C ATOM 951 C LEU A 976 -3.036 -15.225 -1.859 1.00 0.00 C ATOM 952 O LEU A 976 -3.888 -15.143 -2.743 1.00 0.00 O ATOM 953 CB LEU A 976 -2.108 -12.986 -1.027 1.00 0.00 C ATOM 954 CG LEU A 976 -0.968 -11.966 -1.000 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.357 -12.634 -0.628 1.00 0.00 C ATOM 956 CD2 LEU A 976 -0.876 -11.211 -2.328 1.00 0.00 C ATOM 0 H LEU A 976 -2.130 -13.337 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 976 -1.034 -14.773 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.995 -12.499 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.339 -13.270 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 976 -1.186 -11.231 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.150 -11.887 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.271 -13.088 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.595 -13.404 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -0.058 -10.492 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -0.693 -11.918 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -1.812 -10.684 -2.512 1.00 0.00 H new ATOM 968 N PRO A 977 -3.056 -16.139 -0.853 1.00 0.00 N ATOM 969 CA PRO A 977 -4.126 -17.118 -0.752 1.00 0.00 C ATOM 970 C PRO A 977 -5.413 -16.472 -0.236 1.00 0.00 C ATOM 971 O PRO A 977 -5.375 -15.407 0.378 1.00 0.00 O ATOM 972 CB PRO A 977 -3.588 -18.194 0.178 1.00 0.00 C ATOM 973 CG PRO A 977 -2.429 -17.556 0.927 1.00 0.00 C ATOM 974 CD PRO A 977 -2.065 -16.266 0.212 1.00 0.00 C ATOM 0 HA PRO A 977 -4.399 -17.544 -1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.359 -18.535 0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.256 -19.067 -0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -2.708 -17.353 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -1.574 -18.232 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.102 -15.414 0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.053 -16.309 -0.192 1.00 0.00 H new ATOM 982 N ALA A 978 -6.523 -17.143 -0.505 1.00 0.00 N ATOM 983 CA ALA A 978 -7.820 -16.648 -0.077 1.00 0.00 C ATOM 984 C ALA A 978 -7.817 -16.472 1.443 1.00 0.00 C ATOM 985 O ALA A 978 -7.636 -17.438 2.183 1.00 0.00 O ATOM 986 CB ALA A 978 -8.915 -17.606 -0.550 1.00 0.00 C ATOM 0 H ALA A 978 -6.551 -18.026 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.025 -15.674 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -9.888 -17.234 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -8.894 -17.674 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.745 -18.594 -0.121 1.00 0.00 H new ATOM 992 N SER A 979 -8.019 -15.232 1.864 1.00 0.00 N ATOM 993 CA SER A 979 -8.042 -14.917 3.282 1.00 0.00 C ATOM 994 C SER A 979 -7.764 -13.427 3.492 1.00 0.00 C ATOM 995 O SER A 979 -8.187 -12.848 4.491 1.00 0.00 O ATOM 996 CB SER A 979 -7.022 -15.760 4.050 1.00 0.00 C ATOM 997 OG SER A 979 -5.874 -16.058 3.261 1.00 0.00 O ATOM 0 H SER A 979 -8.168 -14.433 1.247 1.00 0.00 H new ATOM 0 HA SER A 979 -9.033 -15.153 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 979 -6.715 -15.227 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 979 -7.490 -16.689 4.374 1.00 0.00 H new ATOM 0 HG SER A 979 -5.069 -15.991 3.816 1.00 0.00 H new ATOM 1003 N THR A 980 -7.055 -12.849 2.533 1.00 0.00 N ATOM 1004 CA THR A 980 -6.716 -11.438 2.601 1.00 0.00 C ATOM 1005 C THR A 980 -7.357 -10.679 1.437 1.00 0.00 C ATOM 1006 O THR A 980 -6.775 -9.731 0.914 1.00 0.00 O ATOM 1007 CB THR A 980 -5.191 -11.320 2.636 1.00 0.00 C ATOM 1008 OG1 THR A 980 -4.953 -9.917 2.727 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.541 -11.722 1.310 1.00 0.00 C ATOM 0 H THR A 980 -6.706 -13.332 1.705 1.00 0.00 H new ATOM 0 HA THR A 980 -7.113 -10.979 3.506 1.00 0.00 H new ATOM 0 HB THR A 980 -4.798 -11.945 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 980 -4.022 -9.727 2.486 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.459 -11.620 1.390 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.792 -12.758 1.081 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.909 -11.075 0.514 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.549 -11.126 1.067 1.00 0.00 N ATOM 1018 CA HIS A 981 -9.276 -10.501 -0.025 1.00 0.00 C ATOM 1019 C HIS A 981 -9.979 -9.240 0.483 1.00 0.00 C ATOM 1020 O HIS A 981 -9.507 -8.127 0.256 1.00 0.00 O ATOM 1021 CB HIS A 981 -10.239 -11.495 -0.676 1.00 0.00 C ATOM 1022 CG HIS A 981 -9.582 -12.426 -1.667 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -10.229 -13.524 -2.207 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -8.331 -12.412 -2.210 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -9.396 -14.135 -3.036 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -8.220 -13.445 -3.036 1.00 0.00 N ATOM 0 H HIS A 981 -9.029 -11.913 1.504 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.578 -10.197 -0.805 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.715 -12.089 0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -11.030 -10.941 -1.182 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -7.561 -11.684 -2.003 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -9.611 -15.024 -3.611 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -7.391 -13.683 -3.581 1.00 0.00 H new ATOM 1034 N ARG A 982 -11.097 -9.457 1.160 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.870 -8.352 1.701 1.00 0.00 C ATOM 1036 C ARG A 982 -10.938 -7.262 2.234 1.00 0.00 C ATOM 1037 O ARG A 982 -10.889 -6.161 1.688 1.00 0.00 O ATOM 1038 CB ARG A 982 -12.790 -8.824 2.829 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.631 -7.666 3.371 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.915 -7.494 2.558 1.00 0.00 C ATOM 1041 NE ARG A 982 -15.262 -6.058 2.458 1.00 0.00 N ATOM 1042 CZ ARG A 982 -16.312 -5.585 1.774 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -17.125 -6.430 1.125 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -16.550 -4.267 1.739 1.00 0.00 N ATOM 0 H ARG A 982 -11.486 -10.381 1.346 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.481 -7.948 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -13.446 -9.614 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -12.194 -9.253 3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -13.880 -7.851 4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.050 -6.744 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -14.783 -7.915 1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -15.730 -8.042 3.030 1.00 0.00 H new ATOM 0 HE ARG A 982 -14.664 -5.387 2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -16.944 -7.433 1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -17.925 -6.070 0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -15.932 -3.624 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -17.350 -3.907 1.218 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.221 -7.608 3.293 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.293 -6.673 3.906 1.00 0.00 C ATOM 1060 C GLU A 983 -8.530 -5.900 2.828 1.00 0.00 C ATOM 1061 O GLU A 983 -8.483 -4.671 2.857 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.329 -7.395 4.849 1.00 0.00 C ATOM 1063 CG GLU A 983 -8.616 -7.034 6.308 1.00 0.00 C ATOM 1064 CD GLU A 983 -9.138 -8.247 7.080 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -10.311 -8.608 6.844 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -8.352 -8.786 7.890 1.00 0.00 O ATOM 0 H GLU A 983 -10.264 -8.523 3.742 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.865 -5.961 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -8.420 -8.473 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.302 -7.128 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -7.707 -6.662 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -9.349 -6.229 6.350 1.00 0.00 H new ATOM 1073 N ILE A 984 -7.950 -6.652 1.904 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.191 -6.053 0.819 1.00 0.00 C ATOM 1075 C ILE A 984 -8.111 -5.147 -0.001 1.00 0.00 C ATOM 1076 O ILE A 984 -7.704 -4.069 -0.432 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.495 -7.134 -0.009 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.264 -7.676 0.720 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.152 -6.618 -1.408 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.571 -8.762 -0.105 1.00 0.00 C ATOM 0 H ILE A 984 -7.990 -7.671 1.884 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.393 -5.424 1.214 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.187 -7.967 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.566 -6.862 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.560 -8.082 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.658 -7.407 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -7.067 -6.321 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.486 -5.759 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.699 -9.130 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.264 -9.585 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.255 -8.346 -1.062 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.335 -5.617 -0.193 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.316 -4.863 -0.954 1.00 0.00 C ATOM 1094 C GLU A 985 -10.655 -3.556 -0.235 1.00 0.00 C ATOM 1095 O GLU A 985 -10.916 -2.539 -0.877 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.576 -5.695 -1.202 1.00 0.00 C ATOM 1097 CG GLU A 985 -11.727 -6.031 -2.687 1.00 0.00 C ATOM 1098 CD GLU A 985 -13.182 -5.885 -3.137 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -14.048 -6.479 -2.458 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -13.396 -5.184 -4.149 1.00 0.00 O ATOM 0 H GLU A 985 -9.670 -6.511 0.166 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.884 -4.620 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.529 -6.615 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.453 -5.145 -0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -11.092 -5.372 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -11.387 -7.050 -2.869 1.00 0.00 H new ATOM 1107 N MET A 986 -10.642 -3.625 1.088 1.00 0.00 N ATOM 1108 CA MET A 986 -10.945 -2.460 1.902 1.00 0.00 C ATOM 1109 C MET A 986 -9.742 -1.518 1.981 1.00 0.00 C ATOM 1110 O MET A 986 -9.903 -0.311 2.156 1.00 0.00 O ATOM 1111 CB MET A 986 -11.336 -2.908 3.311 1.00 0.00 C ATOM 1112 CG MET A 986 -12.815 -3.299 3.372 1.00 0.00 C ATOM 1113 SD MET A 986 -13.471 -2.954 4.995 1.00 0.00 S ATOM 1114 CE MET A 986 -14.379 -1.456 4.651 1.00 0.00 C ATOM 0 H MET A 986 -10.426 -4.470 1.617 1.00 0.00 H new ATOM 0 HA MET A 986 -11.773 -1.923 1.439 1.00 0.00 H new ATOM 0 HB2 MET A 986 -10.720 -3.755 3.611 1.00 0.00 H new ATOM 0 HB3 MET A 986 -11.139 -2.104 4.020 1.00 0.00 H new ATOM 0 HG2 MET A 986 -13.377 -2.747 2.619 1.00 0.00 H new ATOM 0 HG3 MET A 986 -12.929 -4.358 3.142 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.855 -1.101 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 986 -13.695 -0.693 4.279 1.00 0.00 H new ATOM 0 HE3 MET A 986 -15.142 -1.657 3.899 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.561 -2.106 1.850 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.331 -1.335 1.904 1.00 0.00 C ATOM 1126 C ALA A 987 -7.139 -0.594 0.580 1.00 0.00 C ATOM 1127 O ALA A 987 -6.365 0.359 0.504 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.160 -2.264 2.227 1.00 0.00 C ATOM 0 H ALA A 987 -8.431 -3.107 1.707 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.382 -0.587 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.237 -1.686 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.331 -2.743 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.076 -3.027 1.453 1.00 0.00 H new ATOM 1134 N GLN A 988 -7.858 -1.059 -0.431 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.777 -0.453 -1.749 1.00 0.00 C ATOM 1136 C GLN A 988 -8.673 0.785 -1.820 1.00 0.00 C ATOM 1137 O GLN A 988 -8.256 1.831 -2.315 1.00 0.00 O ATOM 1138 CB GLN A 988 -8.145 -1.460 -2.840 1.00 0.00 C ATOM 1139 CG GLN A 988 -7.031 -2.490 -3.035 1.00 0.00 C ATOM 1140 CD GLN A 988 -6.408 -2.367 -4.427 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -5.498 -1.589 -4.662 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -6.946 -3.177 -5.334 1.00 0.00 N ATOM 0 H GLN A 988 -8.500 -1.849 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.747 -0.142 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -9.072 -1.968 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -8.328 -0.935 -3.778 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -6.263 -2.348 -2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -7.432 -3.495 -2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -7.706 -3.804 -5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -6.599 -3.171 -6.293 1.00 0.00 H new ATOM 1151 N LYS A 989 -9.889 0.625 -1.318 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.848 1.717 -1.318 1.00 0.00 C ATOM 1153 C LYS A 989 -10.350 2.828 -0.392 1.00 0.00 C ATOM 1154 O LYS A 989 -10.528 4.010 -0.682 1.00 0.00 O ATOM 1155 CB LYS A 989 -12.245 1.203 -0.965 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.077 0.965 -2.228 1.00 0.00 C ATOM 1157 CD LYS A 989 -13.744 -0.411 -2.194 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.224 -0.312 -2.568 1.00 0.00 C ATOM 1159 NZ LYS A 989 -16.052 -1.087 -1.616 1.00 0.00 N ATOM 0 H LYS A 989 -10.232 -0.244 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.934 2.148 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.163 0.275 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.750 1.924 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -13.838 1.740 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -12.439 1.042 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -13.235 -1.083 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -13.645 -0.843 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.537 0.732 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.375 -0.687 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -17.054 -1.009 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -15.764 -2.086 -1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -15.921 -0.711 -0.655 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.735 2.409 0.705 1.00 0.00 N ATOM 1174 CA LEU A 990 -9.210 3.354 1.676 1.00 0.00 C ATOM 1175 C LEU A 990 -8.099 4.182 1.026 1.00 0.00 C ATOM 1176 O LEU A 990 -8.004 5.387 1.253 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.771 2.627 2.948 1.00 0.00 C ATOM 1178 CG LEU A 990 -9.451 3.073 4.244 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -9.482 1.936 5.267 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.788 4.332 4.806 1.00 0.00 C ATOM 0 H LEU A 990 -9.589 1.428 0.943 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.987 4.052 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -8.952 1.561 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -7.695 2.755 3.063 1.00 0.00 H new ATOM 0 HG LEU A 990 -10.486 3.329 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -9.971 2.280 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -10.035 1.091 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -8.463 1.625 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -9.290 4.628 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.738 4.128 5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.863 5.139 4.077 1.00 0.00 H new ATOM 1192 N LEU A 991 -7.287 3.501 0.231 1.00 0.00 N ATOM 1193 CA LEU A 991 -6.186 4.159 -0.453 1.00 0.00 C ATOM 1194 C LEU A 991 -6.735 5.289 -1.325 1.00 0.00 C ATOM 1195 O LEU A 991 -6.315 6.438 -1.197 1.00 0.00 O ATOM 1196 CB LEU A 991 -5.349 3.137 -1.225 1.00 0.00 C ATOM 1197 CG LEU A 991 -4.013 3.643 -1.775 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -3.209 4.360 -0.689 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -3.219 2.504 -2.419 1.00 0.00 C ATOM 0 H LEU A 991 -7.369 2.501 0.045 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.507 4.614 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -5.152 2.289 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.945 2.764 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 991 -4.220 4.374 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.265 4.709 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.779 5.212 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -3.010 3.671 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -2.274 2.890 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -3.021 1.732 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.796 2.077 -3.240 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.667 4.924 -2.194 1.00 0.00 N ATOM 1212 CA ASN A 992 -8.278 5.893 -3.087 1.00 0.00 C ATOM 1213 C ASN A 992 -8.924 7.006 -2.260 1.00 0.00 C ATOM 1214 O ASN A 992 -8.583 8.178 -2.416 1.00 0.00 O ATOM 1215 CB ASN A 992 -9.370 5.244 -3.940 1.00 0.00 C ATOM 1216 CG ASN A 992 -9.090 5.440 -5.432 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -8.161 6.123 -5.830 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -9.943 4.805 -6.230 1.00 0.00 N ATOM 0 H ASN A 992 -8.013 3.970 -2.298 1.00 0.00 H new ATOM 0 HA ASN A 992 -7.499 6.289 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -9.428 4.179 -3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -10.338 5.677 -3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -9.841 4.873 -7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -10.699 4.250 -5.830 1.00 0.00 H new ATOM 1225 N SER A 993 -9.845 6.601 -1.398 1.00 0.00 N ATOM 1226 CA SER A 993 -10.542 7.550 -0.546 1.00 0.00 C ATOM 1227 C SER A 993 -9.549 8.560 0.033 1.00 0.00 C ATOM 1228 O SER A 993 -9.683 9.763 -0.187 1.00 0.00 O ATOM 1229 CB SER A 993 -11.288 6.833 0.581 1.00 0.00 C ATOM 1230 OG SER A 993 -12.249 7.679 1.207 1.00 0.00 O ATOM 0 H SER A 993 -10.125 5.628 -1.271 1.00 0.00 H new ATOM 0 HA SER A 993 -11.277 8.079 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 993 -11.787 5.950 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 993 -10.572 6.484 1.325 1.00 0.00 H new ATOM 0 HG SER A 993 -12.705 7.185 1.920 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.576 8.034 0.761 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.561 8.875 1.373 1.00 0.00 C ATOM 1238 C ASP A 994 -6.868 9.702 0.289 1.00 0.00 C ATOM 1239 O ASP A 994 -6.694 10.910 0.441 1.00 0.00 O ATOM 1240 CB ASP A 994 -6.496 8.030 2.076 1.00 0.00 C ATOM 1241 CG ASP A 994 -7.039 6.992 3.060 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.991 7.346 3.789 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -6.490 5.869 3.061 1.00 0.00 O ATOM 0 H ASP A 994 -8.468 7.036 0.941 1.00 0.00 H new ATOM 0 HA ASP A 994 -8.052 9.518 2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -5.904 7.516 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.820 8.697 2.611 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.493 9.019 -0.783 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.823 9.676 -1.892 1.00 0.00 C ATOM 1250 C LEU A 995 -6.618 10.919 -2.298 1.00 0.00 C ATOM 1251 O LEU A 995 -6.085 12.028 -2.297 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.595 8.691 -3.040 1.00 0.00 C ATOM 1253 CG LEU A 995 -4.165 8.174 -3.207 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -3.385 9.031 -4.206 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -3.454 8.082 -1.855 1.00 0.00 C ATOM 0 H LEU A 995 -6.641 8.017 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.832 10.014 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -6.255 7.836 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -5.897 9.172 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 995 -4.213 7.165 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -2.372 8.642 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -3.882 9.003 -5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.345 10.060 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -2.439 7.712 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -3.417 9.070 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -3.999 7.399 -1.203 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.879 10.693 -2.634 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.752 11.781 -3.041 1.00 0.00 C ATOM 1269 C ALA A 996 -8.541 12.975 -2.108 1.00 0.00 C ATOM 1270 O ALA A 996 -8.316 14.093 -2.568 1.00 0.00 O ATOM 1271 CB ALA A 996 -10.203 11.296 -3.048 1.00 0.00 C ATOM 0 H ALA A 996 -8.318 9.772 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.512 12.107 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.858 12.112 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -10.306 10.467 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.480 10.963 -2.048 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.619 12.696 -0.816 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.439 13.733 0.186 1.00 0.00 C ATOM 1279 C GLU A 997 -7.069 14.395 0.025 1.00 0.00 C ATOM 1280 O GLU A 997 -6.923 15.593 0.261 1.00 0.00 O ATOM 1281 CB GLU A 997 -8.613 13.169 1.597 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.113 14.247 2.561 1.00 0.00 C ATOM 1283 CD GLU A 997 -10.635 14.385 2.488 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.100 15.035 1.527 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.298 13.838 3.395 1.00 0.00 O ATOM 0 H GLU A 997 -8.804 11.766 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.207 14.492 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.319 12.339 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -7.663 12.770 1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -8.816 13.996 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -8.646 15.202 2.319 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.100 13.585 -0.376 1.00 0.00 N ATOM 1293 CA LEU A 998 -4.747 14.076 -0.572 1.00 0.00 C ATOM 1294 C LEU A 998 -4.688 14.895 -1.863 1.00 0.00 C ATOM 1295 O LEU A 998 -4.152 16.002 -1.877 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.746 12.920 -0.530 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.321 13.282 -0.106 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.820 14.514 -0.863 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -2.229 13.464 1.410 1.00 0.00 C ATOM 0 H LEU A 998 -6.225 12.592 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.462 14.743 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -4.126 12.161 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.705 12.465 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 998 -1.665 12.453 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.805 14.750 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -1.825 14.310 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -2.473 15.361 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -1.206 13.721 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -2.900 14.265 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.516 12.537 1.906 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.246 14.318 -2.917 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.264 14.981 -4.211 1.00 0.00 C ATOM 1313 C ILE A 999 -5.879 16.373 -4.057 1.00 0.00 C ATOM 1314 O ILE A 999 -5.335 17.355 -4.562 1.00 0.00 O ATOM 1315 CB ILE A 999 -5.969 14.108 -5.250 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.283 12.746 -5.379 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.069 14.829 -6.595 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.811 12.908 -5.761 1.00 0.00 C ATOM 0 H ILE A 999 -5.689 13.399 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.249 15.120 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.987 13.924 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -5.360 12.205 -4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.794 12.147 -6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.574 14.186 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.636 15.752 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.068 15.064 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.347 11.925 -5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -3.738 13.428 -6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.297 13.486 -4.993 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.004 16.415 -3.359 1.00 0.00 N ATOM 1331 CA ASN A1000 -7.699 17.671 -3.133 1.00 0.00 C ATOM 1332 C ASN A1000 -6.804 18.603 -2.315 1.00 0.00 C ATOM 1333 O ASN A1000 -6.613 19.763 -2.678 1.00 0.00 O ATOM 1334 CB ASN A1000 -8.994 17.450 -2.350 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.022 18.536 -2.674 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.299 18.842 -3.822 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -10.572 19.098 -1.601 1.00 0.00 N ATOM 0 H ASN A1000 -7.452 15.599 -2.942 1.00 0.00 H new ATOM 0 HA ASN A1000 -7.935 18.106 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.406 16.470 -2.591 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -8.782 17.452 -1.281 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -11.271 19.832 -1.712 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -10.295 18.794 -0.668 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.278 18.062 -1.226 1.00 0.00 N ATOM 1345 CA LYS A1001 -5.408 18.831 -0.353 1.00 0.00 C ATOM 1346 C LYS A1001 -4.465 19.685 -1.203 1.00 0.00 C ATOM 1347 O LYS A1001 -4.133 20.809 -0.830 1.00 0.00 O ATOM 1348 CB LYS A1001 -4.685 17.909 0.631 1.00 0.00 C ATOM 1349 CG LYS A1001 -5.613 17.488 1.772 1.00 0.00 C ATOM 1350 CD LYS A1001 -5.515 18.464 2.946 1.00 0.00 C ATOM 1351 CE LYS A1001 -6.612 18.193 3.977 1.00 0.00 C ATOM 1352 NZ LYS A1001 -7.610 19.286 3.973 1.00 0.00 N ATOM 0 H LYS A1001 -6.438 17.100 -0.928 1.00 0.00 H new ATOM 0 HA LYS A1001 -5.993 19.516 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -4.323 17.024 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -3.811 18.419 1.037 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -6.641 17.447 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -5.352 16.484 2.106 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -4.537 18.373 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -5.599 19.488 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -7.102 17.245 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -6.171 18.099 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -8.347 19.086 4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -7.142 20.185 4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -8.043 19.357 3.030 1.00 0.00 H new ATOM 1366 N MET A1002 -4.060 19.118 -2.330 1.00 0.00 N ATOM 1367 CA MET A1002 -3.162 19.813 -3.237 1.00 0.00 C ATOM 1368 C MET A1002 -3.925 20.819 -4.101 1.00 0.00 C ATOM 1369 O MET A1002 -3.447 21.927 -4.339 1.00 0.00 O ATOM 1370 CB MET A1002 -2.459 18.796 -4.138 1.00 0.00 C ATOM 1371 CG MET A1002 -1.666 19.498 -5.242 1.00 0.00 C ATOM 1372 SD MET A1002 -1.990 18.718 -6.815 1.00 0.00 S ATOM 1373 CE MET A1002 -3.491 19.566 -7.278 1.00 0.00 C ATOM 0 H MET A1002 -4.337 18.185 -2.636 1.00 0.00 H new ATOM 0 HA MET A1002 -2.426 20.357 -2.644 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.789 18.178 -3.541 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.197 18.128 -4.583 1.00 0.00 H new ATOM 0 HG2 MET A1002 -1.941 20.552 -5.285 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.600 19.456 -5.018 1.00 0.00 H new ATOM 0 HE1 MET A1002 -3.614 19.523 -8.360 1.00 0.00 H new ATOM 0 HE2 MET A1002 -4.343 19.087 -6.796 1.00 0.00 H new ATOM 0 HE3 MET A1002 -3.433 20.607 -6.961 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.099 20.396 -4.547 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.933 21.246 -5.380 1.00 0.00 C ATOM 1385 C LYS A1003 -6.126 22.598 -4.689 1.00 0.00 C ATOM 1386 O LYS A1003 -5.923 23.646 -5.300 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.245 20.538 -5.724 1.00 0.00 C ATOM 1388 CG LYS A1003 -7.102 19.710 -7.003 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.373 18.905 -7.279 1.00 0.00 C ATOM 1390 CE LYS A1003 -9.181 19.528 -8.419 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.556 18.498 -9.412 1.00 0.00 N ATOM 0 H LYS A1003 -5.492 19.476 -4.347 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.444 21.442 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.540 19.890 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -8.038 21.275 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.894 20.369 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.252 19.034 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.109 17.879 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -8.984 18.862 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -10.079 20.001 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -8.596 20.311 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -10.104 18.938 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -8.696 18.065 -9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -10.132 17.765 -8.951 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.517 22.529 -3.425 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.740 23.735 -2.644 1.00 0.00 C ATOM 1407 C LEU A1004 -5.408 24.459 -2.441 1.00 0.00 C ATOM 1408 O LEU A1004 -5.294 25.650 -2.729 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.464 23.401 -1.338 1.00 0.00 C ATOM 1410 CG LEU A1004 -6.926 22.197 -0.562 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -6.344 22.630 0.785 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -8.003 21.122 -0.402 1.00 0.00 C ATOM 0 H LEU A1004 -6.685 21.658 -2.922 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.397 24.420 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -7.422 24.275 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -8.515 23.222 -1.564 1.00 0.00 H new ATOM 0 HG LEU A1004 -6.113 21.755 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -5.968 21.756 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -5.527 23.333 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -7.121 23.110 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -7.594 20.277 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -8.853 21.536 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -8.330 20.786 -1.386 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.433 23.711 -1.946 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.113 24.267 -1.700 1.00 0.00 C ATOM 1426 C ALA A1005 -2.588 24.908 -2.986 1.00 0.00 C ATOM 1427 O ALA A1005 -1.666 25.721 -2.947 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.186 23.169 -1.175 1.00 0.00 C ATOM 0 H ALA A1005 -4.531 22.724 -1.708 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.160 25.045 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.196 23.586 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.589 22.766 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -2.112 22.371 -1.914 1.00 0.00 H new ATOM 1434 N GLN A1006 -3.196 24.516 -4.096 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.801 25.042 -5.392 1.00 0.00 C ATOM 1436 C GLN A1006 -3.337 26.464 -5.574 1.00 0.00 C ATOM 1437 O GLN A1006 -2.724 27.279 -6.260 1.00 0.00 O ATOM 1438 CB GLN A1006 -3.276 24.128 -6.523 1.00 0.00 C ATOM 1439 CG GLN A1006 -2.270 24.114 -7.676 1.00 0.00 C ATOM 1440 CD GLN A1006 -0.899 23.628 -7.201 1.00 0.00 C ATOM 1441 OE1 GLN A1006 0.056 24.380 -7.106 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -0.856 22.331 -6.909 1.00 0.00 N ATOM 0 H GLN A1006 -3.959 23.840 -4.125 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.712 25.077 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -3.414 23.116 -6.144 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -4.246 24.467 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -2.634 23.465 -8.473 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -2.179 25.116 -8.096 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -1.693 21.757 -7.011 1.00 0.00 H new ATOM 0 HE22 GLN A1006 0.014 21.910 -6.583 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.476 26.717 -4.946 1.00 0.00 N ATOM 1452 CA GLN A1007 -5.102 28.026 -5.030 1.00 0.00 C ATOM 1453 C GLN A1007 -4.812 28.835 -3.765 1.00 0.00 C ATOM 1454 O GLN A1007 -4.721 30.061 -3.815 1.00 0.00 O ATOM 1455 CB GLN A1007 -6.608 27.899 -5.266 1.00 0.00 C ATOM 1456 CG GLN A1007 -7.195 29.215 -5.782 1.00 0.00 C ATOM 1457 CD GLN A1007 -8.412 28.960 -6.674 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -8.343 29.008 -7.891 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -9.527 28.687 -6.002 1.00 0.00 N ATOM 0 H GLN A1007 -4.982 26.038 -4.377 1.00 0.00 H new ATOM 0 HA GLN A1007 -4.677 28.556 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.801 27.104 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -7.103 27.615 -4.337 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -7.482 29.844 -4.940 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -6.436 29.761 -6.343 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -9.515 28.663 -4.982 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -10.394 28.502 -6.506 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.674 28.117 -2.660 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.395 28.753 -1.384 1.00 0.00 C ATOM 1470 C TYR A1008 -2.962 29.287 -1.338 1.00 0.00 C ATOM 1471 O TYR A1008 -2.680 30.258 -0.637 1.00 0.00 O ATOM 1472 CB TYR A1008 -4.553 27.660 -0.325 1.00 0.00 C ATOM 1473 CG TYR A1008 -5.968 27.547 0.246 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -6.664 28.685 0.598 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -6.549 26.305 0.409 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -7.995 28.578 1.135 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -7.880 26.198 0.947 1.00 0.00 C ATOM 1478 CZ TYR A1008 -8.538 27.340 1.283 1.00 0.00 C ATOM 1479 OH TYR A1008 -9.796 27.239 1.791 1.00 0.00 O ATOM 0 H TYR A1008 -4.750 27.101 -2.622 1.00 0.00 H new ATOM 0 HA TYR A1008 -5.067 29.595 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.271 26.702 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -3.857 27.856 0.491 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -6.210 29.657 0.471 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.005 25.414 0.133 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -8.550 29.461 1.414 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -8.346 25.233 1.081 1.00 0.00 H new ATOM 0 HH TYR A1008 -9.821 26.528 2.465 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.096 28.631 -2.096 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.699 29.028 -2.151 1.00 0.00 C ATOM 1491 C VAL A1009 -0.608 30.555 -2.182 1.00 0.00 C ATOM 1492 O VAL A1009 0.056 31.158 -1.340 1.00 0.00 O ATOM 1493 CB VAL A1009 -0.013 28.363 -3.346 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.878 28.471 -4.604 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.376 28.960 -3.583 1.00 0.00 C ATOM 0 H VAL A1009 -2.334 27.827 -2.677 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.170 28.689 -1.260 1.00 0.00 H new ATOM 0 HB VAL A1009 0.112 27.305 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -0.368 27.991 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.835 27.978 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -1.049 29.522 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A1009 1.842 28.470 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A1009 1.284 30.028 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.993 28.809 -2.697 1.00 0.00 H new ATOM 1505 N MET A1010 -1.285 31.136 -3.161 1.00 0.00 N ATOM 1506 CA MET A1010 -1.289 32.581 -3.313 1.00 0.00 C ATOM 1507 C MET A1010 -2.026 33.252 -2.152 1.00 0.00 C ATOM 1508 O MET A1010 -2.993 33.982 -2.365 1.00 0.00 O ATOM 1509 CB MET A1010 -1.968 32.954 -4.632 1.00 0.00 C ATOM 1510 CG MET A1010 -1.587 34.372 -5.063 1.00 0.00 C ATOM 1511 SD MET A1010 -3.011 35.207 -5.742 1.00 0.00 S ATOM 1512 CE MET A1010 -4.049 35.281 -4.291 1.00 0.00 C ATOM 0 H MET A1010 -1.835 30.632 -3.857 1.00 0.00 H new ATOM 0 HA MET A1010 -0.256 32.930 -3.314 1.00 0.00 H new ATOM 0 HB2 MET A1010 -1.679 32.244 -5.407 1.00 0.00 H new ATOM 0 HB3 MET A1010 -3.050 32.882 -4.521 1.00 0.00 H new ATOM 0 HG2 MET A1010 -1.201 34.929 -4.209 1.00 0.00 H new ATOM 0 HG3 MET A1010 -0.790 34.333 -5.805 1.00 0.00 H new ATOM 0 HE1 MET A1010 -4.895 35.941 -4.482 1.00 0.00 H new ATOM 0 HE2 MET A1010 -4.414 34.282 -4.054 1.00 0.00 H new ATOM 0 HE3 MET A1010 -3.472 35.665 -3.450 1.00 0.00 H new ATOM 1522 N THR A1011 -1.540 32.982 -0.949 1.00 0.00 N ATOM 1523 CA THR A1011 -2.141 33.550 0.246 1.00 0.00 C ATOM 1524 C THR A1011 -1.151 33.508 1.411 1.00 0.00 C ATOM 1525 O THR A1011 -1.106 34.428 2.227 1.00 0.00 O ATOM 1526 CB THR A1011 -3.442 32.796 0.526 1.00 0.00 C ATOM 1527 OG1 THR A1011 -4.160 32.875 -0.702 1.00 0.00 O ATOM 1528 CG2 THR A1011 -4.338 33.526 1.529 1.00 0.00 C ATOM 0 H THR A1011 -0.737 32.377 -0.776 1.00 0.00 H new ATOM 0 HA THR A1011 -2.384 34.603 0.104 1.00 0.00 H new ATOM 0 HB THR A1011 -3.210 31.800 0.904 1.00 0.00 H new ATOM 0 HG1 THR A1011 -3.988 33.742 -1.126 1.00 0.00 H new ATOM 0 HG21 THR A1011 -5.248 32.948 1.692 1.00 0.00 H new ATOM 0 HG22 THR A1011 -3.807 33.642 2.474 1.00 0.00 H new ATOM 0 HG23 THR A1011 -4.598 34.509 1.136 1.00 0.00 H new ATOM 1536 N SER A1012 -0.381 32.430 1.454 1.00 0.00 N ATOM 1537 CA SER A1012 0.605 32.256 2.506 1.00 0.00 C ATOM 1538 C SER A1012 0.051 31.336 3.596 1.00 0.00 C ATOM 1539 O SER A1012 0.762 30.981 4.535 1.00 0.00 O ATOM 1540 CB SER A1012 1.014 33.603 3.106 1.00 0.00 C ATOM 1541 OG SER A1012 2.280 33.535 3.757 1.00 0.00 O ATOM 0 H SER A1012 -0.421 31.668 0.777 1.00 0.00 H new ATOM 0 HA SER A1012 1.493 31.798 2.070 1.00 0.00 H new ATOM 0 HB2 SER A1012 1.052 34.355 2.318 1.00 0.00 H new ATOM 0 HB3 SER A1012 0.256 33.927 3.819 1.00 0.00 H new ATOM 0 HG SER A1012 2.337 32.706 4.276 1.00 0.00 H new ATOM 1547 N LEU A1013 -1.214 30.975 3.434 1.00 0.00 N ATOM 1548 CA LEU A1013 -1.871 30.103 4.392 1.00 0.00 C ATOM 1549 C LEU A1013 -1.531 28.647 4.067 1.00 0.00 C ATOM 1550 O LEU A1013 -1.837 27.745 4.846 1.00 0.00 O ATOM 1551 CB LEU A1013 -3.374 30.388 4.433 1.00 0.00 C ATOM 1552 CG LEU A1013 -4.031 30.719 3.091 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -3.661 29.681 2.030 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -5.546 30.868 3.244 1.00 0.00 C ATOM 0 H LEU A1013 -1.801 31.271 2.654 1.00 0.00 H new ATOM 0 HA LEU A1013 -1.504 30.300 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -3.877 29.519 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -3.547 31.220 5.115 1.00 0.00 H new ATOM 0 HG LEU A1013 -3.646 31.680 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -4.141 29.939 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -2.579 29.667 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -3.999 28.696 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -5.988 31.103 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -5.967 29.935 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -5.763 31.672 3.947 1.00 0.00 H new ATOM 1566 N GLN A1014 -0.902 28.462 2.916 1.00 0.00 N ATOM 1567 CA GLN A1014 -0.516 27.131 2.479 1.00 0.00 C ATOM 1568 C GLN A1014 0.153 26.369 3.624 1.00 0.00 C ATOM 1569 O GLN A1014 -0.252 25.255 3.954 1.00 0.00 O ATOM 1570 CB GLN A1014 0.401 27.200 1.256 1.00 0.00 C ATOM 1571 CG GLN A1014 1.310 28.428 1.321 1.00 0.00 C ATOM 1572 CD GLN A1014 2.762 28.052 1.017 1.00 0.00 C ATOM 1573 OE1 GLN A1014 3.430 27.379 1.784 1.00 0.00 O ATOM 1574 NE2 GLN A1014 3.211 28.523 -0.143 1.00 0.00 N ATOM 0 H GLN A1014 -0.650 29.212 2.272 1.00 0.00 H new ATOM 0 HA GLN A1014 -1.416 26.591 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.008 26.296 1.201 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -0.200 27.236 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A1014 0.967 29.177 0.607 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.247 28.879 2.311 1.00 0.00 H new ATOM 0 HE21 GLN A1014 2.599 29.081 -0.738 1.00 0.00 H new ATOM 0 HE22 GLN A1014 4.168 28.327 -0.437 1.00 0.00 H new ATOM 1583 N GLN A1015 1.166 27.000 4.200 1.00 0.00 N ATOM 1584 CA GLN A1015 1.895 26.396 5.302 1.00 0.00 C ATOM 1585 C GLN A1015 0.945 25.589 6.188 1.00 0.00 C ATOM 1586 O GLN A1015 1.276 24.484 6.616 1.00 0.00 O ATOM 1587 CB GLN A1015 2.636 27.458 6.117 1.00 0.00 C ATOM 1588 CG GLN A1015 1.759 28.692 6.336 1.00 0.00 C ATOM 1589 CD GLN A1015 2.432 29.680 7.292 1.00 0.00 C ATOM 1590 OE1 GLN A1015 3.519 29.453 7.796 1.00 0.00 O ATOM 1591 NE2 GLN A1015 1.726 30.786 7.511 1.00 0.00 N ATOM 0 H GLN A1015 1.499 27.924 3.924 1.00 0.00 H new ATOM 0 HA GLN A1015 2.641 25.716 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.931 27.042 7.080 1.00 0.00 H new ATOM 0 HB3 GLN A1015 3.551 27.745 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.566 29.179 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.793 28.389 6.741 1.00 0.00 H new ATOM 0 HE21 GLN A1015 0.822 30.912 7.056 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.089 31.508 8.134 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.218 26.172 6.438 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.219 25.521 7.266 1.00 0.00 C ATOM 1602 C GLU A1016 -1.761 24.275 6.563 1.00 0.00 C ATOM 1603 O GLU A1016 -1.663 23.168 7.090 1.00 0.00 O ATOM 1604 CB GLU A1016 -2.352 26.487 7.620 1.00 0.00 C ATOM 1605 CG GLU A1016 -3.524 25.745 8.264 1.00 0.00 C ATOM 1606 CD GLU A1016 -3.041 24.830 9.391 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -2.361 25.357 10.298 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -3.363 23.625 9.321 1.00 0.00 O ATOM 0 H GLU A1016 -0.490 27.088 6.082 1.00 0.00 H new ATOM 0 HA GLU A1016 -0.745 25.212 8.198 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -1.982 27.252 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -2.692 27.000 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -4.242 26.464 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -4.044 25.155 7.509 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.322 24.497 5.383 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.880 23.406 4.602 1.00 0.00 C ATOM 1617 C TYR A1017 -1.809 22.363 4.274 1.00 0.00 C ATOM 1618 O TYR A1017 -2.127 21.208 3.995 1.00 0.00 O ATOM 1619 CB TYR A1017 -3.380 24.033 3.299 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.771 24.661 3.404 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.868 23.866 3.667 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -4.929 26.022 3.236 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -7.178 24.457 3.766 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.238 26.613 3.335 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.298 25.801 3.595 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.535 26.359 3.688 1.00 0.00 O ATOM 0 H TYR A1017 -2.402 25.417 4.949 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.673 22.904 5.156 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.671 24.797 2.980 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -3.396 23.268 2.522 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -5.744 22.801 3.799 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.070 26.644 3.030 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -8.045 23.847 3.971 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -6.375 27.676 3.206 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.547 27.210 3.203 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.562 22.808 4.319 1.00 0.00 N ATOM 1637 CA LYS A1018 0.557 21.928 4.030 1.00 0.00 C ATOM 1638 C LYS A1018 0.696 20.901 5.156 1.00 0.00 C ATOM 1639 O LYS A1018 0.954 19.725 4.900 1.00 0.00 O ATOM 1640 CB LYS A1018 1.829 22.741 3.780 1.00 0.00 C ATOM 1641 CG LYS A1018 2.258 22.651 2.314 1.00 0.00 C ATOM 1642 CD LYS A1018 1.794 23.880 1.530 1.00 0.00 C ATOM 1643 CE LYS A1018 2.660 24.096 0.287 1.00 0.00 C ATOM 1644 NZ LYS A1018 1.844 23.972 -0.941 1.00 0.00 N ATOM 0 H LYS A1018 -0.302 23.767 4.551 1.00 0.00 H new ATOM 0 HA LYS A1018 0.376 21.372 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.657 23.783 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.631 22.374 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A1018 3.343 22.565 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.841 21.750 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A1018 0.752 23.755 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A1018 1.841 24.762 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A1018 3.122 25.082 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A1018 3.469 23.366 0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 2.389 24.317 -1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 1.591 22.974 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 0.977 24.537 -0.840 1.00 0.00 H new ATOM 1658 N LYS A1019 0.520 21.382 6.378 1.00 0.00 N ATOM 1659 CA LYS A1019 0.622 20.520 7.543 1.00 0.00 C ATOM 1660 C LYS A1019 -0.473 19.453 7.481 1.00 0.00 C ATOM 1661 O LYS A1019 -0.269 18.323 7.923 1.00 0.00 O ATOM 1662 CB LYS A1019 0.599 21.351 8.828 1.00 0.00 C ATOM 1663 CG LYS A1019 1.855 22.218 8.943 1.00 0.00 C ATOM 1664 CD LYS A1019 3.100 21.353 9.150 1.00 0.00 C ATOM 1665 CE LYS A1019 3.935 21.279 7.871 1.00 0.00 C ATOM 1666 NZ LYS A1019 5.378 21.216 8.196 1.00 0.00 N ATOM 0 H LYS A1019 0.307 22.358 6.586 1.00 0.00 H new ATOM 0 HA LYS A1019 1.578 19.996 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.287 21.985 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A1019 0.529 20.690 9.692 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.971 22.819 8.041 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.747 22.912 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.703 21.765 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.803 20.349 9.453 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.648 20.401 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.734 22.151 7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 5.903 20.849 7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.723 22.169 8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.523 20.585 9.010 1.00 0.00 H new ATOM 1680 N GLN A1020 -1.611 19.850 6.930 1.00 0.00 N ATOM 1681 CA GLN A1020 -2.738 18.942 6.805 1.00 0.00 C ATOM 1682 C GLN A1020 -2.374 17.766 5.895 1.00 0.00 C ATOM 1683 O GLN A1020 -2.670 16.616 6.214 1.00 0.00 O ATOM 1684 CB GLN A1020 -3.977 19.674 6.285 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.298 20.893 7.153 1.00 0.00 C ATOM 1686 CD GLN A1020 -4.715 20.467 8.562 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -5.572 19.620 8.755 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -4.064 21.101 9.534 1.00 0.00 N ATOM 0 H GLN A1020 -1.776 20.788 6.565 1.00 0.00 H new ATOM 0 HA GLN A1020 -2.976 18.551 7.794 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.812 19.990 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -4.829 18.994 6.277 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.426 21.544 7.209 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.098 21.472 6.692 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -3.358 21.800 9.303 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -4.271 20.888 10.510 1.00 0.00 H new ATOM 1697 N MET A1021 -1.738 18.097 4.781 1.00 0.00 N ATOM 1698 CA MET A1021 -1.331 17.083 3.823 1.00 0.00 C ATOM 1699 C MET A1021 -0.454 16.020 4.489 1.00 0.00 C ATOM 1700 O MET A1021 -0.616 14.828 4.234 1.00 0.00 O ATOM 1701 CB MET A1021 -0.555 17.741 2.680 1.00 0.00 C ATOM 1702 CG MET A1021 -0.994 17.182 1.326 1.00 0.00 C ATOM 1703 SD MET A1021 0.419 16.547 0.441 1.00 0.00 S ATOM 1704 CE MET A1021 0.881 15.200 1.518 1.00 0.00 C ATOM 0 H MET A1021 -1.495 19.053 4.520 1.00 0.00 H new ATOM 0 HA MET A1021 -2.226 16.598 3.434 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.714 18.819 2.701 1.00 0.00 H new ATOM 0 HB3 MET A1021 0.513 17.574 2.817 1.00 0.00 H new ATOM 0 HG2 MET A1021 -1.729 16.390 1.471 1.00 0.00 H new ATOM 0 HG3 MET A1021 -1.479 17.963 0.741 1.00 0.00 H new ATOM 0 HE1 MET A1021 1.890 15.365 1.895 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.185 15.149 2.355 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.850 14.263 0.962 1.00 0.00 H new ATOM 1714 N LEU A1022 0.455 16.491 5.330 1.00 0.00 N ATOM 1715 CA LEU A1022 1.358 15.596 6.034 1.00 0.00 C ATOM 1716 C LEU A1022 0.543 14.647 6.916 1.00 0.00 C ATOM 1717 O LEU A1022 0.653 13.429 6.789 1.00 0.00 O ATOM 1718 CB LEU A1022 2.413 16.394 6.801 1.00 0.00 C ATOM 1719 CG LEU A1022 3.542 15.579 7.435 1.00 0.00 C ATOM 1720 CD1 LEU A1022 3.032 14.776 8.634 1.00 0.00 C ATOM 1721 CD2 LEU A1022 4.223 14.686 6.396 1.00 0.00 C ATOM 0 H LEU A1022 0.586 17.481 5.540 1.00 0.00 H new ATOM 0 HA LEU A1022 1.911 14.979 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A1022 2.855 17.122 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.912 16.957 7.588 1.00 0.00 H new ATOM 0 HG LEU A1022 4.296 16.272 7.808 1.00 0.00 H new ATOM 0 HD11 LEU A1022 3.854 14.206 9.066 1.00 0.00 H new ATOM 0 HD12 LEU A1022 2.630 15.457 9.384 1.00 0.00 H new ATOM 0 HD13 LEU A1022 2.249 14.092 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A1022 5.022 14.117 6.872 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.491 13.998 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.642 15.305 5.603 1.00 0.00 H new ATOM 1733 N THR A1023 -0.256 15.242 7.789 1.00 0.00 N ATOM 1734 CA THR A1023 -1.089 14.466 8.692 1.00 0.00 C ATOM 1735 C THR A1023 -1.631 13.224 7.981 1.00 0.00 C ATOM 1736 O THR A1023 -1.534 12.114 8.502 1.00 0.00 O ATOM 1737 CB THR A1023 -2.187 15.385 9.231 1.00 0.00 C ATOM 1738 OG1 THR A1023 -1.540 16.646 9.382 1.00 0.00 O ATOM 1739 CG2 THR A1023 -2.616 15.013 10.652 1.00 0.00 C ATOM 0 H THR A1023 -0.344 16.253 7.890 1.00 0.00 H new ATOM 0 HA THR A1023 -0.513 14.093 9.539 1.00 0.00 H new ATOM 0 HB THR A1023 -3.052 15.345 8.569 1.00 0.00 H new ATOM 0 HG1 THR A1023 -1.654 17.172 8.563 1.00 0.00 H new ATOM 0 HG21 THR A1023 -3.397 15.696 10.987 1.00 0.00 H new ATOM 0 HG22 THR A1023 -2.998 13.992 10.661 1.00 0.00 H new ATOM 0 HG23 THR A1023 -1.759 15.086 11.322 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.190 13.453 6.802 1.00 0.00 N ATOM 1748 CA ALA A1024 -2.748 12.366 6.015 1.00 0.00 C ATOM 1749 C ALA A1024 -1.619 11.437 5.564 1.00 0.00 C ATOM 1750 O ALA A1024 -1.703 10.223 5.738 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.536 12.942 4.836 1.00 0.00 C ATOM 0 H ALA A1024 -2.269 14.375 6.373 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.442 11.775 6.613 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -3.955 12.127 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.344 13.571 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -2.872 13.539 4.211 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.589 12.044 4.993 1.00 0.00 N ATOM 1758 CA ALA A1025 0.555 11.286 4.516 1.00 0.00 C ATOM 1759 C ALA A1025 1.008 10.314 5.606 1.00 0.00 C ATOM 1760 O ALA A1025 1.608 9.281 5.312 1.00 0.00 O ATOM 1761 CB ALA A1025 1.667 12.250 4.095 1.00 0.00 C ATOM 0 H ALA A1025 -0.523 13.052 4.850 1.00 0.00 H new ATOM 0 HA ALA A1025 0.286 10.696 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.525 11.681 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.304 12.899 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.965 12.857 4.950 1.00 0.00 H new ATOM 1767 N HIS A1026 0.704 10.679 6.843 1.00 0.00 N ATOM 1768 CA HIS A1026 1.073 9.851 7.980 1.00 0.00 C ATOM 1769 C HIS A1026 0.204 8.592 8.001 1.00 0.00 C ATOM 1770 O HIS A1026 0.715 7.479 7.890 1.00 0.00 O ATOM 1771 CB HIS A1026 0.992 10.650 9.282 1.00 0.00 C ATOM 1772 CG HIS A1026 2.011 10.240 10.318 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.685 11.153 11.110 1.00 0.00 N ATOM 1774 CD2 HIS A1026 2.462 9.006 10.685 1.00 0.00 C ATOM 1775 CE1 HIS A1026 3.503 10.488 11.912 1.00 0.00 C ATOM 1776 NE2 HIS A1026 3.364 9.158 11.647 1.00 0.00 N ATOM 0 H HIS A1026 0.207 11.536 7.083 1.00 0.00 H new ATOM 0 HA HIS A1026 2.111 9.532 7.882 1.00 0.00 H new ATOM 0 HB2 HIS A1026 1.124 11.708 9.056 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.006 10.537 9.704 1.00 0.00 H new ATOM 0 HD2 HIS A1026 2.140 8.065 10.264 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.164 10.923 12.647 1.00 0.00 H new ATOM 0 HE2 HIS A1026 3.870 8.404 12.111 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.095 8.811 8.144 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.040 7.708 8.181 1.00 0.00 C ATOM 1786 C ALA A1027 -2.050 7.004 6.823 1.00 0.00 C ATOM 1787 O ALA A1027 -2.239 5.791 6.749 1.00 0.00 O ATOM 1788 CB ALA A1027 -3.422 8.232 8.577 1.00 0.00 C ATOM 0 H ALA A1027 -1.515 9.736 8.236 1.00 0.00 H new ATOM 0 HA ALA A1027 -1.743 6.974 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.131 7.404 8.605 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -3.367 8.696 9.562 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -3.754 8.970 7.847 1.00 0.00 H new ATOM 1794 N LEU A1028 -1.844 7.796 5.781 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.827 7.264 4.429 1.00 0.00 C ATOM 1796 C LEU A1028 -0.699 6.239 4.303 1.00 0.00 C ATOM 1797 O LEU A1028 -0.952 5.056 4.077 1.00 0.00 O ATOM 1798 CB LEU A1028 -1.741 8.400 3.407 1.00 0.00 C ATOM 1799 CG LEU A1028 -3.076 8.985 2.942 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -3.650 8.181 1.773 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -4.065 9.090 4.105 1.00 0.00 C ATOM 0 H LEU A1028 -1.687 8.802 5.846 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.759 6.742 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -1.144 9.205 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -1.202 8.036 2.532 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.897 9.997 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -4.599 8.618 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -2.950 8.202 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -3.811 7.149 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -5.005 9.509 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -4.245 8.098 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.651 9.738 4.878 1.00 0.00 H new ATOM 1813 N ALA A1029 0.523 6.728 4.455 1.00 0.00 N ATOM 1814 CA ALA A1029 1.691 5.869 4.361 1.00 0.00 C ATOM 1815 C ALA A1029 1.395 4.536 5.052 1.00 0.00 C ATOM 1816 O ALA A1029 1.840 3.484 4.597 1.00 0.00 O ATOM 1817 CB ALA A1029 2.901 6.583 4.967 1.00 0.00 C ATOM 0 H ALA A1029 0.730 7.709 4.643 1.00 0.00 H new ATOM 0 HA ALA A1029 1.927 5.655 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.777 5.938 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A1029 3.087 7.509 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.702 6.811 6.014 1.00 0.00 H new ATOM 1823 N VAL A1030 0.645 4.624 6.141 1.00 0.00 N ATOM 1824 CA VAL A1030 0.284 3.439 6.899 1.00 0.00 C ATOM 1825 C VAL A1030 -0.864 2.716 6.192 1.00 0.00 C ATOM 1826 O VAL A1030 -0.822 1.499 6.017 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.050 3.822 8.343 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -0.964 2.779 8.990 1.00 0.00 C ATOM 1829 CG2 VAL A1030 1.224 4.021 9.166 1.00 0.00 C ATOM 0 H VAL A1030 0.278 5.498 6.516 1.00 0.00 H new ATOM 0 HA VAL A1030 1.124 2.746 6.947 1.00 0.00 H new ATOM 0 HB VAL A1030 -0.587 4.770 8.322 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -1.186 3.075 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -1.893 2.708 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -0.465 1.810 8.992 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.958 4.292 10.188 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.800 3.096 9.174 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.823 4.817 8.723 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.862 3.496 5.804 1.00 0.00 N ATOM 1840 CA ASP A1031 -3.020 2.946 5.120 1.00 0.00 C ATOM 1841 C ASP A1031 -2.553 1.942 4.063 1.00 0.00 C ATOM 1842 O ASP A1031 -3.028 0.808 4.026 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.814 4.044 4.411 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.869 4.740 5.274 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -5.534 4.018 6.048 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -4.985 5.977 5.140 1.00 0.00 O ATOM 0 H ASP A1031 -1.893 4.505 5.950 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.655 2.466 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -3.116 4.795 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -4.307 3.611 3.541 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.628 2.397 3.230 1.00 0.00 N ATOM 1852 CA ALA A1032 -1.092 1.553 2.176 1.00 0.00 C ATOM 1853 C ALA A1032 -0.411 0.334 2.801 1.00 0.00 C ATOM 1854 O ALA A1032 -0.569 -0.786 2.317 1.00 0.00 O ATOM 1855 CB ALA A1032 -0.137 2.371 1.303 1.00 0.00 C ATOM 0 H ALA A1032 -1.237 3.338 3.264 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.892 1.189 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A1032 0.265 1.738 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.676 3.208 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.681 2.751 1.915 1.00 0.00 H new ATOM 1861 N LYS A1033 0.333 0.593 3.866 1.00 0.00 N ATOM 1862 CA LYS A1033 1.039 -0.470 4.562 1.00 0.00 C ATOM 1863 C LYS A1033 0.056 -1.593 4.899 1.00 0.00 C ATOM 1864 O LYS A1033 0.337 -2.764 4.645 1.00 0.00 O ATOM 1865 CB LYS A1033 1.777 0.087 5.781 1.00 0.00 C ATOM 1866 CG LYS A1033 3.101 -0.647 6.003 1.00 0.00 C ATOM 1867 CD LYS A1033 4.137 -0.238 4.954 1.00 0.00 C ATOM 1868 CE LYS A1033 5.337 0.449 5.607 1.00 0.00 C ATOM 1869 NZ LYS A1033 5.310 1.905 5.340 1.00 0.00 N ATOM 0 H LYS A1033 0.463 1.523 4.264 1.00 0.00 H new ATOM 0 HA LYS A1033 1.808 -0.900 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.966 1.151 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A1033 1.150 -0.011 6.667 1.00 0.00 H new ATOM 0 HG2 LYS A1033 3.481 -0.425 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A1033 2.936 -1.724 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A1033 4.472 -1.119 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.679 0.434 4.228 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.325 0.270 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A1033 6.262 0.020 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 6.132 2.356 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 5.344 2.070 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 4.435 2.313 5.728 1.00 0.00 H new ATOM 1883 N ASN A1034 -1.075 -1.198 5.464 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.100 -2.157 5.837 1.00 0.00 C ATOM 1885 C ASN A1034 -2.401 -3.066 4.644 1.00 0.00 C ATOM 1886 O ASN A1034 -2.485 -4.284 4.792 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.398 -1.451 6.233 1.00 0.00 C ATOM 1888 CG ASN A1034 -3.114 -0.244 7.130 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -2.059 -0.117 7.728 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -4.112 0.633 7.189 1.00 0.00 N ATOM 0 H ASN A1034 -1.304 -0.226 5.673 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.730 -2.732 6.685 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -3.927 -1.126 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -4.052 -2.150 6.754 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -4.020 1.473 7.760 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -4.970 0.466 6.663 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.556 -2.439 3.487 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.846 -3.175 2.269 1.00 0.00 C ATOM 1899 C LEU A1035 -1.962 -4.422 2.209 1.00 0.00 C ATOM 1900 O LEU A1035 -2.465 -5.543 2.160 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.709 -2.265 1.047 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.386 -2.756 -0.235 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -4.018 -1.593 -1.001 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.407 -3.550 -1.102 1.00 0.00 C ATOM 0 H LEU A1035 -2.486 -1.428 3.368 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.881 -3.517 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -3.119 -1.287 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.648 -2.122 0.842 1.00 0.00 H new ATOM 0 HG LEU A1035 -4.193 -3.434 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -4.492 -1.969 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -4.767 -1.109 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -3.246 -0.871 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -2.913 -3.887 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.564 -2.915 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -2.046 -4.414 -0.545 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.658 -4.185 2.216 1.00 0.00 N ATOM 1917 CA LEU A1036 0.301 -5.275 2.163 1.00 0.00 C ATOM 1918 C LEU A1036 0.305 -6.010 3.505 1.00 0.00 C ATOM 1919 O LEU A1036 0.312 -7.240 3.543 1.00 0.00 O ATOM 1920 CB LEU A1036 1.678 -4.757 1.742 1.00 0.00 C ATOM 1921 CG LEU A1036 2.477 -5.662 0.802 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.543 -5.069 -0.606 1.00 0.00 C ATOM 1923 CD2 LEU A1036 3.868 -5.950 1.370 1.00 0.00 C ATOM 0 H LEU A1036 -0.244 -3.254 2.258 1.00 0.00 H new ATOM 0 HA LEU A1036 0.012 -6.000 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.548 -3.789 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A1036 2.271 -4.587 2.641 1.00 0.00 H new ATOM 0 HG LEU A1036 1.958 -6.617 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A1036 3.117 -5.732 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.534 -4.959 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A1036 3.026 -4.093 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.415 -6.595 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.410 -5.013 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A1036 3.771 -6.447 2.335 1.00 0.00 H new ATOM 1935 N ASP A1037 0.300 -5.227 4.573 1.00 0.00 N ATOM 1936 CA ASP A1037 0.303 -5.788 5.913 1.00 0.00 C ATOM 1937 C ASP A1037 -0.660 -6.976 5.966 1.00 0.00 C ATOM 1938 O ASP A1037 -0.332 -8.022 6.525 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.161 -4.757 6.944 1.00 0.00 C ATOM 1940 CG ASP A1037 0.417 -4.941 8.348 1.00 0.00 C ATOM 1941 OD1 ASP A1037 1.596 -4.565 8.530 1.00 0.00 O ATOM 1942 OD2 ASP A1037 -0.332 -5.452 9.208 1.00 0.00 O ATOM 0 H ASP A1037 0.294 -4.208 4.538 1.00 0.00 H new ATOM 0 HA ASP A1037 1.322 -6.097 6.146 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.104 -3.762 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.249 -4.793 7.008 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.830 -6.775 5.377 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.843 -7.816 5.349 1.00 0.00 C ATOM 1949 C VAL A1038 -2.355 -8.974 4.475 1.00 0.00 C ATOM 1950 O VAL A1038 -2.518 -10.139 4.835 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.178 -7.235 4.881 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -5.247 -8.325 4.784 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -4.634 -6.099 5.799 1.00 0.00 C ATOM 0 H VAL A1038 -2.099 -5.906 4.915 1.00 0.00 H new ATOM 0 HA VAL A1038 -3.010 -8.213 6.350 1.00 0.00 H new ATOM 0 HB VAL A1038 -4.031 -6.821 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -6.186 -7.885 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.928 -9.085 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -5.390 -8.783 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -5.586 -5.704 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -4.755 -6.478 6.814 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -3.887 -5.305 5.794 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.766 -8.612 3.345 1.00 0.00 N ATOM 1964 CA ILE A1039 -1.254 -9.606 2.417 1.00 0.00 C ATOM 1965 C ILE A1039 -0.309 -10.552 3.160 1.00 0.00 C ATOM 1966 O ILE A1039 -0.476 -11.770 3.108 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.615 -8.927 1.203 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.669 -8.585 0.149 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.515 -9.783 0.628 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.031 -7.908 -1.066 1.00 0.00 C ATOM 0 H ILE A1039 -1.632 -7.645 3.051 1.00 0.00 H new ATOM 0 HA ILE A1039 -2.068 -10.213 2.022 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.171 -7.987 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -2.183 -9.494 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.422 -7.927 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.952 -9.278 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.281 -9.932 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.118 -10.750 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.803 -7.676 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.539 -6.987 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.296 -8.578 -1.512 1.00 0.00 H new ATOM 1982 N ASP A1040 0.663 -9.956 3.836 1.00 0.00 N ATOM 1983 CA ASP A1040 1.634 -10.731 4.589 1.00 0.00 C ATOM 1984 C ASP A1040 0.900 -11.744 5.470 1.00 0.00 C ATOM 1985 O ASP A1040 1.315 -12.897 5.574 1.00 0.00 O ATOM 1986 CB ASP A1040 2.470 -9.829 5.500 1.00 0.00 C ATOM 1987 CG ASP A1040 3.984 -10.002 5.368 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.521 -10.873 6.087 1.00 0.00 O ATOM 1989 OD2 ASP A1040 4.571 -9.260 4.551 1.00 0.00 O ATOM 0 H ASP A1040 0.798 -8.946 3.878 1.00 0.00 H new ATOM 0 HA ASP A1040 2.290 -11.233 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A1040 2.218 -8.790 5.287 1.00 0.00 H new ATOM 0 HB3 ASP A1040 2.186 -10.020 6.535 1.00 0.00 H new ATOM 1994 N GLN A1041 -0.177 -11.275 6.083 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.973 -12.126 6.952 1.00 0.00 C ATOM 1996 C GLN A1041 -1.547 -13.303 6.161 1.00 0.00 C ATOM 1997 O GLN A1041 -1.896 -14.332 6.738 1.00 0.00 O ATOM 1998 CB GLN A1041 -2.086 -11.327 7.631 1.00 0.00 C ATOM 1999 CG GLN A1041 -1.776 -11.104 9.113 1.00 0.00 C ATOM 2000 CD GLN A1041 -2.950 -10.429 9.824 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -2.907 -9.262 10.177 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -3.998 -11.226 10.014 1.00 0.00 N ATOM 0 H GLN A1041 -0.517 -10.317 5.995 1.00 0.00 H new ATOM 0 HA GLN A1041 -0.325 -12.521 7.734 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -2.204 -10.365 7.132 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -3.033 -11.857 7.530 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.558 -12.059 9.590 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -0.883 -10.487 9.212 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -3.968 -12.194 9.693 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -4.832 -10.869 10.480 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.628 -13.113 4.852 1.00 0.00 N ATOM 2012 CA ALA A1042 -2.154 -14.146 3.977 1.00 0.00 C ATOM 2013 C ALA A1042 -1.065 -15.188 3.712 1.00 0.00 C ATOM 2014 O ALA A1042 -1.266 -16.377 3.954 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.674 -13.507 2.688 1.00 0.00 C ATOM 0 H ALA A1042 -1.338 -12.258 4.377 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.992 -14.658 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.069 -14.282 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.465 -12.797 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.859 -12.986 2.186 1.00 0.00 H new ATOM 2021 N ARG A1043 0.066 -14.703 3.219 1.00 0.00 N ATOM 2022 CA ARG A1043 1.187 -15.577 2.919 1.00 0.00 C ATOM 2023 C ARG A1043 1.435 -16.541 4.081 1.00 0.00 C ATOM 2024 O ARG A1043 1.367 -17.757 3.910 1.00 0.00 O ATOM 2025 CB ARG A1043 2.459 -14.770 2.654 1.00 0.00 C ATOM 2026 CG ARG A1043 2.381 -14.050 1.307 1.00 0.00 C ATOM 2027 CD ARG A1043 3.717 -14.128 0.565 1.00 0.00 C ATOM 2028 NE ARG A1043 4.753 -13.377 1.308 1.00 0.00 N ATOM 2029 CZ ARG A1043 5.980 -13.120 0.833 1.00 0.00 C ATOM 2030 NH1 ARG A1043 6.332 -13.553 -0.385 1.00 0.00 N ATOM 2031 NH2 ARG A1043 6.855 -12.430 1.577 1.00 0.00 N ATOM 0 H ARG A1043 0.229 -13.716 3.020 1.00 0.00 H new ATOM 0 HA ARG A1043 0.936 -16.142 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.605 -14.042 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A1043 3.324 -15.433 2.666 1.00 0.00 H new ATOM 0 HG2 ARG A1043 1.596 -14.496 0.697 1.00 0.00 H new ATOM 0 HG3 ARG A1043 2.108 -13.006 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.020 -15.169 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A1043 3.609 -13.718 -0.439 1.00 0.00 H new ATOM 0 HE ARG A1043 4.519 -13.033 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A1043 5.666 -14.079 -0.952 1.00 0.00 H new ATOM 0 HH12 ARG A1043 7.266 -13.357 -0.746 1.00 0.00 H new ATOM 0 HH21 ARG A1043 6.587 -12.100 2.504 1.00 0.00 H new ATOM 0 HH22 ARG A1043 7.789 -12.234 1.216 1.00 0.00 H new ATOM 2045 N LEU A1044 1.716 -15.961 5.239 1.00 0.00 N ATOM 2046 CA LEU A1044 1.975 -16.752 6.429 1.00 0.00 C ATOM 2047 C LEU A1044 0.852 -17.777 6.609 1.00 0.00 C ATOM 2048 O LEU A1044 1.114 -18.953 6.857 1.00 0.00 O ATOM 2049 CB LEU A1044 2.178 -15.844 7.644 1.00 0.00 C ATOM 2050 CG LEU A1044 1.105 -14.777 7.870 1.00 0.00 C ATOM 2051 CD1 LEU A1044 -0.039 -15.323 8.726 1.00 0.00 C ATOM 2052 CD2 LEU A1044 1.713 -13.506 8.467 1.00 0.00 C ATOM 0 H LEU A1044 1.770 -14.952 5.378 1.00 0.00 H new ATOM 0 HA LEU A1044 2.904 -17.311 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.234 -16.469 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.142 -15.346 7.543 1.00 0.00 H new ATOM 0 HG LEU A1044 0.682 -14.507 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.788 -14.545 8.872 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.495 -16.176 8.223 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.350 -15.638 9.694 1.00 0.00 H new ATOM 0 HD21 LEU A1044 0.929 -12.764 8.618 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.179 -13.741 9.424 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.464 -13.107 7.785 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.374 -17.293 6.477 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.537 -18.151 6.621 1.00 0.00 C ATOM 2066 C LYS A1045 -1.371 -19.382 5.728 1.00 0.00 C ATOM 2067 O LYS A1045 -1.932 -20.440 6.011 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.821 -17.364 6.351 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.912 -18.274 5.783 1.00 0.00 C ATOM 2070 CD LYS A1045 -3.725 -18.481 4.279 1.00 0.00 C ATOM 2071 CE LYS A1045 -5.074 -18.646 3.576 1.00 0.00 C ATOM 2072 NZ LYS A1045 -5.321 -20.070 3.256 1.00 0.00 N ATOM 0 H LYS A1045 -0.587 -16.317 6.272 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.621 -18.510 7.647 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -3.171 -16.904 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -2.615 -16.555 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -3.888 -19.238 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -4.892 -17.836 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -3.192 -17.630 3.855 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -3.109 -19.363 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -5.872 -18.267 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -5.089 -18.054 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -6.241 -20.164 2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -4.569 -20.421 2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -5.328 -20.627 4.134 1.00 0.00 H new ATOM 2086 N MET A1046 -0.598 -19.204 4.667 1.00 0.00 N ATOM 2087 CA MET A1046 -0.351 -20.287 3.730 1.00 0.00 C ATOM 2088 C MET A1046 0.960 -21.006 4.056 1.00 0.00 C ATOM 2089 O MET A1046 1.050 -22.226 3.935 1.00 0.00 O ATOM 2090 CB MET A1046 -0.286 -19.727 2.308 1.00 0.00 C ATOM 2091 CG MET A1046 0.913 -20.297 1.548 1.00 0.00 C ATOM 2092 SD MET A1046 0.745 -19.964 -0.197 1.00 0.00 S ATOM 2093 CE MET A1046 1.041 -18.203 -0.206 1.00 0.00 C ATOM 0 H MET A1046 -0.134 -18.326 4.435 1.00 0.00 H new ATOM 0 HA MET A1046 -1.167 -21.005 3.810 1.00 0.00 H new ATOM 0 HB2 MET A1046 -1.206 -19.968 1.776 1.00 0.00 H new ATOM 0 HB3 MET A1046 -0.215 -18.640 2.344 1.00 0.00 H new ATOM 0 HG2 MET A1046 1.836 -19.855 1.924 1.00 0.00 H new ATOM 0 HG3 MET A1046 0.983 -21.372 1.716 1.00 0.00 H new ATOM 0 HE1 MET A1046 0.637 -17.771 -1.121 1.00 0.00 H new ATOM 0 HE2 MET A1046 0.554 -17.748 0.656 1.00 0.00 H new ATOM 0 HE3 MET A1046 2.113 -18.014 -0.158 1.00 0.00 H new ATOM 2103 N ILE A1047 1.944 -20.218 4.464 1.00 0.00 N ATOM 2104 CA ILE A1047 3.246 -20.763 4.808 1.00 0.00 C ATOM 2105 C ILE A1047 3.130 -21.568 6.104 1.00 0.00 C ATOM 2106 O ILE A1047 3.462 -22.752 6.136 1.00 0.00 O ATOM 2107 CB ILE A1047 4.295 -19.651 4.866 1.00 0.00 C ATOM 2108 CG1 ILE A1047 4.733 -19.237 3.460 1.00 0.00 C ATOM 2109 CG2 ILE A1047 5.482 -20.062 5.739 1.00 0.00 C ATOM 2110 CD1 ILE A1047 5.228 -17.789 3.444 1.00 0.00 C ATOM 0 H ILE A1047 1.865 -19.206 4.564 1.00 0.00 H new ATOM 0 HA ILE A1047 3.588 -21.450 4.034 1.00 0.00 H new ATOM 0 HB ILE A1047 3.841 -18.777 5.332 1.00 0.00 H new ATOM 0 HG12 ILE A1047 5.525 -19.900 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A1047 3.898 -19.347 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A1047 6.213 -19.254 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A1047 5.135 -20.268 6.752 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.945 -20.958 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.533 -17.520 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A1047 4.426 -17.127 3.769 1.00 0.00 H new ATOM 0 HD13 ILE A1047 6.078 -17.688 4.119 1.00 0.00 H new