USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 944 GLN : amide:sc= 0 X(o=-3.1,f=-3.1) USER MOD Set 1.2: A1014 GLN : amide:sc= -3.11 K(o=-3.1,f=-6.3!) USER MOD Set 2.1: A1002 MET CE :methyl 144:sc= -4.78 (180deg=-9.15!) USER MOD Set 2.2: A1006 GLN : amide:sc= -6.69! C(o=-11!,f=-10!) USER MOD Single : A 922 ASN : amide:sc= -2.45! C(o=-2.5!,f=-7.8!) 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= -2.13! C(o=-2.1!,f=-0.72!) USER MOD Single : A 930 THR OG1 : rot -6:sc= 0.452 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 148:sc= -0.407 (180deg=-2.15!) USER MOD Single : A 940 SER OG : rot -46:sc= -0.0701 USER MOD Single : A 941 SER OG : rot -170:sc= -0.0734 USER MOD Single : A 942 LYS NZ :NH3+ 162:sc= 0.794 (180deg=0.593) USER MOD Single : A 951 TYR OH : rot 130:sc= -0.159 USER MOD Single : A 954 MET CE :methyl -130:sc= -3.34! (180deg=-9.22!) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= -0.119 (180deg=-0.119) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 96:sc= -0.654! USER MOD Single : A 972 SER OG : rot 180:sc= 0 USER MOD Single : A 979 SER OG : rot -97:sc= -0.963! USER MOD Single : A 980 THR OG1 : rot 1:sc= -0.861! USER MOD Single : A 981 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-3) USER MOD Single : A 986 MET CE :methyl 150:sc= -0.0139 (180deg=-0.0999) USER MOD Single : A 988 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.3!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.13) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.1!) 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= 0.907 K(o=0.91,f=-0.012) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl -126:sc= -1.94 (180deg=-4.05!) USER MOD Single : A1011 THR OG1 : rot 180:sc= 0 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.8!) USER MOD Single : A1017 TYR OH : rot 76:sc= -0.704! USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.069) USER MOD Single : A1020 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.17) USER MOD Single : A1021 MET CE :methyl 161:sc= -2.24 (180deg=-5.34!) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0.129 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= -0.171 K(o=-0.17,f=-2.4!) USER MOD Single : A1041 GLN : amide:sc= 0.155 X(o=0.15,f=-0.02) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl 161:sc= -0.0356 (180deg=-0.515) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 5.107 -10.269 -5.537 1.00 0.00 N ATOM 108 CA ASN A 922 4.767 -9.514 -4.343 1.00 0.00 C ATOM 109 C ASN A 922 5.780 -8.384 -4.153 1.00 0.00 C ATOM 110 O ASN A 922 5.518 -7.426 -3.428 1.00 0.00 O ATOM 111 CB ASN A 922 4.810 -10.402 -3.098 1.00 0.00 C ATOM 112 CG ASN A 922 6.250 -10.779 -2.744 1.00 0.00 C ATOM 113 OD1 ASN A 922 7.173 -10.614 -3.526 1.00 0.00 O ATOM 114 ND2 ASN A 922 6.391 -11.294 -1.526 1.00 0.00 N ATOM 0 HA ASN A 922 3.759 -9.120 -4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 922 4.350 -9.880 -2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 922 4.226 -11.306 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 922 7.313 -11.578 -1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 922 5.577 -11.405 -0.922 1.00 0.00 H new ATOM 121 N ASP A 923 6.916 -8.533 -4.818 1.00 0.00 N ATOM 122 CA ASP A 923 7.970 -7.537 -4.732 1.00 0.00 C ATOM 123 C ASP A 923 7.575 -6.309 -5.555 1.00 0.00 C ATOM 124 O ASP A 923 8.013 -5.196 -5.267 1.00 0.00 O ATOM 125 CB ASP A 923 9.287 -8.077 -5.294 1.00 0.00 C ATOM 126 CG ASP A 923 10.273 -7.010 -5.771 1.00 0.00 C ATOM 127 OD1 ASP A 923 10.999 -6.479 -4.903 1.00 0.00 O ATOM 128 OD2 ASP A 923 10.279 -6.748 -6.993 1.00 0.00 O ATOM 0 H ASP A 923 7.130 -9.329 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 923 8.104 -7.280 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 923 9.772 -8.681 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 923 9.063 -8.742 -6.128 1.00 0.00 H new ATOM 133 N LYS A 924 6.749 -6.552 -6.562 1.00 0.00 N ATOM 134 CA LYS A 924 6.289 -5.480 -7.428 1.00 0.00 C ATOM 135 C LYS A 924 5.216 -4.667 -6.701 1.00 0.00 C ATOM 136 O LYS A 924 5.204 -3.440 -6.778 1.00 0.00 O ATOM 137 CB LYS A 924 5.828 -6.040 -8.775 1.00 0.00 C ATOM 138 CG LYS A 924 5.359 -4.919 -9.704 1.00 0.00 C ATOM 139 CD LYS A 924 6.549 -4.144 -10.273 1.00 0.00 C ATOM 140 CE LYS A 924 6.113 -2.773 -10.794 1.00 0.00 C ATOM 141 NZ LYS A 924 7.094 -2.255 -11.774 1.00 0.00 N ATOM 0 H LYS A 924 6.386 -7.476 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 924 7.107 -4.797 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 924 6.646 -6.588 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 924 5.017 -6.751 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 924 4.771 -5.340 -10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 924 4.705 -4.239 -9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 924 7.308 -4.019 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 924 7.007 -4.715 -11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 924 5.131 -2.850 -11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 924 6.018 -2.075 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 6.783 -1.324 -12.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 8.024 -2.163 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 7.165 -2.914 -12.576 1.00 0.00 H new ATOM 155 N VAL A 925 4.342 -5.385 -6.011 1.00 0.00 N ATOM 156 CA VAL A 925 3.268 -4.745 -5.270 1.00 0.00 C ATOM 157 C VAL A 925 3.839 -4.103 -4.004 1.00 0.00 C ATOM 158 O VAL A 925 3.395 -3.032 -3.592 1.00 0.00 O ATOM 159 CB VAL A 925 2.158 -5.757 -4.978 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.360 -5.353 -3.737 1.00 0.00 C ATOM 161 CG2 VAL A 925 1.240 -5.929 -6.190 1.00 0.00 C ATOM 0 H VAL A 925 4.355 -6.403 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 925 2.817 -3.949 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 925 2.627 -6.720 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 925 0.578 -6.089 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 925 2.026 -5.307 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 925 0.907 -4.375 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 925 0.460 -6.653 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 925 0.783 -4.971 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 925 1.822 -6.285 -7.040 1.00 0.00 H new ATOM 171 N TYR A 926 4.816 -4.784 -3.422 1.00 0.00 N ATOM 172 CA TYR A 926 5.452 -4.293 -2.212 1.00 0.00 C ATOM 173 C TYR A 926 6.320 -3.069 -2.507 1.00 0.00 C ATOM 174 O TYR A 926 6.592 -2.266 -1.615 1.00 0.00 O ATOM 175 CB TYR A 926 6.347 -5.431 -1.715 1.00 0.00 C ATOM 176 CG TYR A 926 5.602 -6.511 -0.929 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.304 -6.837 -1.265 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.228 -7.158 0.117 1.00 0.00 C ATOM 179 CE1 TYR A 926 3.603 -7.854 -0.525 1.00 0.00 C ATOM 180 CE2 TYR A 926 5.526 -8.175 0.858 1.00 0.00 C ATOM 181 CZ TYR A 926 4.248 -8.473 0.500 1.00 0.00 C ATOM 182 OH TYR A 926 3.586 -9.433 1.199 1.00 0.00 O ATOM 0 H TYR A 926 5.182 -5.672 -3.766 1.00 0.00 H new ATOM 0 HA TYR A 926 4.703 -3.998 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 926 6.838 -5.893 -2.571 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.132 -5.013 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 926 3.814 -6.330 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.244 -6.902 0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 926 2.587 -8.119 -0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.004 -8.689 1.679 1.00 0.00 H new ATOM 0 HH TYR A 926 4.171 -9.788 1.901 1.00 0.00 H new ATOM 192 N GLU A 927 6.732 -2.963 -3.762 1.00 0.00 N ATOM 193 CA GLU A 927 7.564 -1.850 -4.185 1.00 0.00 C ATOM 194 C GLU A 927 6.705 -0.608 -4.429 1.00 0.00 C ATOM 195 O GLU A 927 6.839 0.392 -3.725 1.00 0.00 O ATOM 196 CB GLU A 927 8.370 -2.212 -5.434 1.00 0.00 C ATOM 197 CG GLU A 927 9.702 -2.864 -5.057 1.00 0.00 C ATOM 198 CD GLU A 927 10.818 -1.820 -4.968 1.00 0.00 C ATOM 199 OE1 GLU A 927 10.653 -0.758 -5.605 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.809 -2.109 -4.264 1.00 0.00 O ATOM 0 H GLU A 927 6.505 -3.630 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 927 8.272 -1.627 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 927 7.792 -2.892 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.555 -1.315 -6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.602 -3.377 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 927 9.964 -3.619 -5.798 1.00 0.00 H new ATOM 207 N ASN A 928 5.841 -0.711 -5.428 1.00 0.00 N ATOM 208 CA ASN A 928 4.960 0.391 -5.773 1.00 0.00 C ATOM 209 C ASN A 928 4.333 0.957 -4.497 1.00 0.00 C ATOM 210 O ASN A 928 4.161 2.168 -4.369 1.00 0.00 O ATOM 211 CB ASN A 928 3.827 -0.075 -6.689 1.00 0.00 C ATOM 212 CG ASN A 928 3.462 1.009 -7.706 1.00 0.00 C ATOM 213 OD1 ASN A 928 3.040 2.101 -7.363 1.00 0.00 O ATOM 214 ND2 ASN A 928 3.649 0.647 -8.972 1.00 0.00 N ATOM 0 H ASN A 928 5.732 -1.542 -6.010 1.00 0.00 H new ATOM 0 HA ASN A 928 5.553 1.147 -6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 928 4.128 -0.983 -7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 928 2.951 -0.327 -6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 928 3.436 1.300 -9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 928 4.006 -0.284 -9.189 1.00 0.00 H new ATOM 221 N VAL A 929 4.010 0.052 -3.584 1.00 0.00 N ATOM 222 CA VAL A 929 3.407 0.446 -2.322 1.00 0.00 C ATOM 223 C VAL A 929 4.344 1.410 -1.592 1.00 0.00 C ATOM 224 O VAL A 929 3.999 2.571 -1.374 1.00 0.00 O ATOM 225 CB VAL A 929 3.065 -0.796 -1.495 1.00 0.00 C ATOM 226 CG1 VAL A 929 3.215 -0.516 0.001 1.00 0.00 C ATOM 227 CG2 VAL A 929 1.659 -1.302 -1.821 1.00 0.00 C ATOM 0 H VAL A 929 4.154 -0.952 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 929 2.469 0.974 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 929 3.773 -1.581 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.966 -1.414 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 929 4.243 -0.226 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 929 2.542 0.292 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 929 1.442 -2.185 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 929 0.931 -0.522 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 929 1.601 -1.560 -2.878 1.00 0.00 H new ATOM 237 N THR A 930 5.511 0.895 -1.235 1.00 0.00 N ATOM 238 CA THR A 930 6.500 1.696 -0.534 1.00 0.00 C ATOM 239 C THR A 930 6.882 2.920 -1.368 1.00 0.00 C ATOM 240 O THR A 930 7.228 3.966 -0.820 1.00 0.00 O ATOM 241 CB THR A 930 7.689 0.793 -0.200 1.00 0.00 C ATOM 242 OG1 THR A 930 8.065 0.235 -1.456 1.00 0.00 O ATOM 243 CG2 THR A 930 7.285 -0.420 0.640 1.00 0.00 C ATOM 0 H THR A 930 5.794 -0.068 -1.418 1.00 0.00 H new ATOM 0 HA THR A 930 6.100 2.090 0.400 1.00 0.00 H new ATOM 0 HB THR A 930 8.444 1.370 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 930 7.411 0.494 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 930 8.166 -1.027 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 930 6.846 -0.082 1.579 1.00 0.00 H new ATOM 0 HG23 THR A 930 6.555 -1.016 0.092 1.00 0.00 H new ATOM 251 N GLY A 931 6.807 2.750 -2.680 1.00 0.00 N ATOM 252 CA GLY A 931 7.141 3.828 -3.595 1.00 0.00 C ATOM 253 C GLY A 931 6.327 5.085 -3.281 1.00 0.00 C ATOM 254 O GLY A 931 6.819 5.999 -2.622 1.00 0.00 O ATOM 0 H GLY A 931 6.520 1.881 -3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.205 4.053 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 931 6.949 3.512 -4.620 1.00 0.00 H new ATOM 258 N LEU A 932 5.095 5.090 -3.769 1.00 0.00 N ATOM 259 CA LEU A 932 4.208 6.220 -3.549 1.00 0.00 C ATOM 260 C LEU A 932 4.186 6.563 -2.058 1.00 0.00 C ATOM 261 O LEU A 932 4.176 7.736 -1.687 1.00 0.00 O ATOM 262 CB LEU A 932 2.824 5.936 -4.136 1.00 0.00 C ATOM 263 CG LEU A 932 1.825 5.255 -3.198 1.00 0.00 C ATOM 264 CD1 LEU A 932 2.334 3.882 -2.758 1.00 0.00 C ATOM 265 CD2 LEU A 932 1.493 6.154 -2.005 1.00 0.00 C ATOM 0 H LEU A 932 4.690 4.330 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 932 4.576 7.102 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 932 2.393 6.879 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 932 2.947 5.310 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 932 0.897 5.093 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 932 1.605 3.420 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 932 2.478 3.249 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 932 3.283 3.997 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.781 5.647 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 932 2.404 6.370 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 932 1.057 7.087 -2.363 1.00 0.00 H new ATOM 277 N VAL A 933 4.178 5.518 -1.244 1.00 0.00 N ATOM 278 CA VAL A 933 4.157 5.694 0.199 1.00 0.00 C ATOM 279 C VAL A 933 5.347 6.558 0.620 1.00 0.00 C ATOM 280 O VAL A 933 5.172 7.579 1.285 1.00 0.00 O ATOM 281 CB VAL A 933 4.134 4.330 0.892 1.00 0.00 C ATOM 282 CG1 VAL A 933 4.760 4.412 2.285 1.00 0.00 C ATOM 283 CG2 VAL A 933 2.710 3.774 0.962 1.00 0.00 C ATOM 0 H VAL A 933 4.186 4.547 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 933 3.251 6.216 0.507 1.00 0.00 H new ATOM 0 HB VAL A 933 4.733 3.642 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 933 4.731 3.429 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 933 5.795 4.743 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 933 4.201 5.122 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 933 2.722 2.804 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 933 2.078 4.462 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 933 2.314 3.660 -0.047 1.00 0.00 H new ATOM 293 N LYS A 934 6.529 6.119 0.216 1.00 0.00 N ATOM 294 CA LYS A 934 7.748 6.840 0.544 1.00 0.00 C ATOM 295 C LYS A 934 7.622 8.288 0.065 1.00 0.00 C ATOM 296 O LYS A 934 8.054 9.212 0.752 1.00 0.00 O ATOM 297 CB LYS A 934 8.970 6.110 -0.017 1.00 0.00 C ATOM 298 CG LYS A 934 9.539 5.127 1.007 1.00 0.00 C ATOM 299 CD LYS A 934 10.733 4.364 0.429 1.00 0.00 C ATOM 300 CE LYS A 934 10.335 2.940 0.035 1.00 0.00 C ATOM 301 NZ LYS A 934 11.386 2.322 -0.804 1.00 0.00 N ATOM 0 H LYS A 934 6.670 5.273 -0.336 1.00 0.00 H new ATOM 0 HA LYS A 934 7.894 6.872 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 934 8.693 5.575 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 934 9.735 6.835 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 934 9.847 5.667 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 934 8.764 4.422 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.119 4.892 -0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 934 11.538 4.331 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 934 10.176 2.339 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 934 9.390 2.957 -0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 11.100 1.356 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 11.518 2.887 -1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 12.279 2.288 -0.272 1.00 0.00 H new ATOM 315 N ALA A 935 7.030 8.440 -1.111 1.00 0.00 N ATOM 316 CA ALA A 935 6.842 9.759 -1.689 1.00 0.00 C ATOM 317 C ALA A 935 5.831 10.541 -0.849 1.00 0.00 C ATOM 318 O ALA A 935 6.092 11.677 -0.455 1.00 0.00 O ATOM 319 CB ALA A 935 6.403 9.619 -3.148 1.00 0.00 C ATOM 0 H ALA A 935 6.674 7.671 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 935 7.778 10.318 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.262 10.609 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.169 9.083 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.465 9.065 -3.194 1.00 0.00 H new ATOM 325 N VAL A 936 4.698 9.902 -0.598 1.00 0.00 N ATOM 326 CA VAL A 936 3.646 10.524 0.188 1.00 0.00 C ATOM 327 C VAL A 936 4.277 11.398 1.274 1.00 0.00 C ATOM 328 O VAL A 936 3.838 12.525 1.501 1.00 0.00 O ATOM 329 CB VAL A 936 2.712 9.452 0.752 1.00 0.00 C ATOM 330 CG1 VAL A 936 1.735 10.054 1.765 1.00 0.00 C ATOM 331 CG2 VAL A 936 1.963 8.731 -0.371 1.00 0.00 C ATOM 0 H VAL A 936 4.485 8.960 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 936 3.034 11.173 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 936 3.323 8.715 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.082 9.271 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 936 2.293 10.499 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.133 10.821 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.306 7.974 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.369 9.451 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 936 2.680 8.253 -1.038 1.00 0.00 H new ATOM 341 N ILE A 937 5.296 10.847 1.916 1.00 0.00 N ATOM 342 CA ILE A 937 5.991 11.563 2.972 1.00 0.00 C ATOM 343 C ILE A 937 7.047 12.479 2.351 1.00 0.00 C ATOM 344 O ILE A 937 6.933 13.701 2.423 1.00 0.00 O ATOM 345 CB ILE A 937 6.556 10.582 4.002 1.00 0.00 C ATOM 346 CG1 ILE A 937 5.431 9.841 4.728 1.00 0.00 C ATOM 347 CG2 ILE A 937 7.497 11.292 4.976 1.00 0.00 C ATOM 348 CD1 ILE A 937 5.432 8.354 4.368 1.00 0.00 C ATOM 0 H ILE A 937 5.657 9.912 1.725 1.00 0.00 H new ATOM 0 HA ILE A 937 5.298 12.201 3.520 1.00 0.00 H new ATOM 0 HB ILE A 937 7.146 9.833 3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 937 5.550 9.958 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 937 4.470 10.282 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 937 7.885 10.573 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 937 8.326 11.735 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 937 6.952 12.076 5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 937 4.623 7.851 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 937 5.289 8.240 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 937 6.385 7.911 4.656 1.00 0.00 H new ATOM 360 N GLU A 938 8.052 11.853 1.756 1.00 0.00 N ATOM 361 CA GLU A 938 9.127 12.596 1.123 1.00 0.00 C ATOM 362 C GLU A 938 8.591 13.896 0.519 1.00 0.00 C ATOM 363 O GLU A 938 9.236 14.939 0.609 1.00 0.00 O ATOM 364 CB GLU A 938 9.831 11.748 0.062 1.00 0.00 C ATOM 365 CG GLU A 938 11.273 11.443 0.470 1.00 0.00 C ATOM 366 CD GLU A 938 11.403 10.013 0.999 1.00 0.00 C ATOM 367 OE1 GLU A 938 11.193 9.838 2.219 1.00 0.00 O ATOM 368 OE2 GLU A 938 11.708 9.127 0.172 1.00 0.00 O ATOM 0 H GLU A 938 8.144 10.839 1.699 1.00 0.00 H new ATOM 0 HA GLU A 938 9.864 12.849 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.286 10.815 -0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.823 12.274 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.933 11.579 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.595 12.149 1.236 1.00 0.00 H new ATOM 375 N MET A 939 7.416 13.789 -0.084 1.00 0.00 N ATOM 376 CA MET A 939 6.785 14.943 -0.703 1.00 0.00 C ATOM 377 C MET A 939 6.711 16.118 0.275 1.00 0.00 C ATOM 378 O MET A 939 7.403 17.119 0.100 1.00 0.00 O ATOM 379 CB MET A 939 5.373 14.569 -1.159 1.00 0.00 C ATOM 380 CG MET A 939 4.553 15.819 -1.485 1.00 0.00 C ATOM 381 SD MET A 939 3.805 15.656 -3.097 1.00 0.00 S ATOM 382 CE MET A 939 3.031 14.058 -2.919 1.00 0.00 C ATOM 0 H MET A 939 6.884 12.922 -0.157 1.00 0.00 H new ATOM 0 HA MET A 939 7.386 15.246 -1.561 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.429 13.927 -2.038 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.874 13.996 -0.377 1.00 0.00 H new ATOM 0 HG2 MET A 939 3.781 15.964 -0.730 1.00 0.00 H new ATOM 0 HG3 MET A 939 5.193 16.701 -1.460 1.00 0.00 H new ATOM 0 HE1 MET A 939 2.117 14.029 -3.512 1.00 0.00 H new ATOM 0 HE2 MET A 939 3.714 13.282 -3.266 1.00 0.00 H new ATOM 0 HE3 MET A 939 2.789 13.886 -1.870 1.00 0.00 H new ATOM 392 N SER A 940 5.866 15.956 1.282 1.00 0.00 N ATOM 393 CA SER A 940 5.693 16.990 2.287 1.00 0.00 C ATOM 394 C SER A 940 7.050 17.594 2.656 1.00 0.00 C ATOM 395 O SER A 940 7.142 18.782 2.964 1.00 0.00 O ATOM 396 CB SER A 940 5.003 16.436 3.535 1.00 0.00 C ATOM 397 OG SER A 940 5.785 15.433 4.177 1.00 0.00 O ATOM 0 H SER A 940 5.294 15.124 1.423 1.00 0.00 H new ATOM 0 HA SER A 940 5.057 17.770 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 940 4.812 17.250 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 940 4.035 16.019 3.259 1.00 0.00 H new ATOM 0 HG SER A 940 6.120 14.801 3.507 1.00 0.00 H new ATOM 403 N SER A 941 8.070 16.749 2.611 1.00 0.00 N ATOM 404 CA SER A 941 9.417 17.185 2.936 1.00 0.00 C ATOM 405 C SER A 941 9.906 18.195 1.896 1.00 0.00 C ATOM 406 O SER A 941 10.453 19.239 2.249 1.00 0.00 O ATOM 407 CB SER A 941 10.377 15.996 3.014 1.00 0.00 C ATOM 408 OG SER A 941 9.709 14.794 3.389 1.00 0.00 O ATOM 0 H SER A 941 7.990 15.765 2.354 1.00 0.00 H new ATOM 0 HA SER A 941 9.394 17.664 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.860 15.856 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 941 11.165 16.213 3.735 1.00 0.00 H new ATOM 0 HG SER A 941 10.371 14.098 3.581 1.00 0.00 H new ATOM 414 N LYS A 942 9.691 17.849 0.636 1.00 0.00 N ATOM 415 CA LYS A 942 10.103 18.712 -0.458 1.00 0.00 C ATOM 416 C LYS A 942 8.869 19.386 -1.063 1.00 0.00 C ATOM 417 O LYS A 942 8.889 19.801 -2.220 1.00 0.00 O ATOM 418 CB LYS A 942 10.935 17.928 -1.475 1.00 0.00 C ATOM 419 CG LYS A 942 10.201 16.665 -1.927 1.00 0.00 C ATOM 420 CD LYS A 942 10.204 16.545 -3.453 1.00 0.00 C ATOM 421 CE LYS A 942 9.046 17.334 -4.066 1.00 0.00 C ATOM 422 NZ LYS A 942 9.557 18.372 -4.989 1.00 0.00 N ATOM 0 H LYS A 942 9.237 16.982 0.348 1.00 0.00 H new ATOM 0 HA LYS A 942 10.754 19.506 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 942 11.148 18.558 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.894 17.657 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.676 15.787 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 942 9.174 16.687 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 942 11.150 16.914 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 942 10.126 15.496 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 942 8.381 16.657 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.457 17.800 -3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.790 18.687 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.910 19.182 -4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 10.331 17.978 -5.560 1.00 0.00 H new ATOM 436 N ILE A 943 7.825 19.474 -0.251 1.00 0.00 N ATOM 437 CA ILE A 943 6.585 20.090 -0.692 1.00 0.00 C ATOM 438 C ILE A 943 6.595 21.572 -0.312 1.00 0.00 C ATOM 439 O ILE A 943 6.334 22.433 -1.150 1.00 0.00 O ATOM 440 CB ILE A 943 5.381 19.322 -0.143 1.00 0.00 C ATOM 441 CG1 ILE A 943 4.294 19.172 -1.210 1.00 0.00 C ATOM 442 CG2 ILE A 943 4.846 19.979 1.131 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.411 20.420 -1.273 1.00 0.00 C ATOM 0 H ILE A 943 7.813 19.129 0.709 1.00 0.00 H new ATOM 0 HA ILE A 943 6.498 20.039 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 943 5.710 18.318 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.755 18.999 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.680 18.299 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 943 3.991 19.413 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 943 5.628 19.991 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.538 21.001 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.647 20.287 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 943 2.932 20.576 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 943 4.024 21.287 -1.519 1.00 0.00 H new ATOM 455 N GLN A 944 6.898 21.824 0.953 1.00 0.00 N ATOM 456 CA GLN A 944 6.944 23.187 1.455 1.00 0.00 C ATOM 457 C GLN A 944 7.559 24.117 0.407 1.00 0.00 C ATOM 458 O GLN A 944 6.966 25.135 0.052 1.00 0.00 O ATOM 459 CB GLN A 944 7.717 23.260 2.773 1.00 0.00 C ATOM 460 CG GLN A 944 6.823 23.772 3.905 1.00 0.00 C ATOM 461 CD GLN A 944 7.557 24.811 4.755 1.00 0.00 C ATOM 462 OE1 GLN A 944 7.283 25.999 4.703 1.00 0.00 O ATOM 463 NE2 GLN A 944 8.502 24.299 5.539 1.00 0.00 N ATOM 0 H GLN A 944 7.114 21.107 1.646 1.00 0.00 H new ATOM 0 HA GLN A 944 5.924 23.516 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 944 8.103 22.273 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.578 23.919 2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 944 5.918 24.212 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 944 6.511 22.937 4.533 1.00 0.00 H new ATOM 0 HE21 GLN A 944 8.680 23.295 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 944 9.048 24.911 6.145 1.00 0.00 H new ATOM 472 N PRO A 945 8.770 23.724 -0.071 1.00 0.00 N ATOM 473 CA PRO A 945 9.471 24.512 -1.071 1.00 0.00 C ATOM 474 C PRO A 945 8.833 24.340 -2.450 1.00 0.00 C ATOM 475 O PRO A 945 8.563 25.322 -3.140 1.00 0.00 O ATOM 476 CB PRO A 945 10.910 24.024 -1.017 1.00 0.00 C ATOM 477 CG PRO A 945 10.866 22.671 -0.326 1.00 0.00 C ATOM 478 CD PRO A 945 9.501 22.525 0.327 1.00 0.00 C ATOM 0 HA PRO A 945 9.420 25.583 -0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.331 23.937 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.539 24.723 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 945 11.033 21.869 -1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.656 22.598 0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 945 8.994 21.621 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.586 22.455 1.411 1.00 0.00 H new ATOM 486 N ALA A 946 8.609 23.085 -2.812 1.00 0.00 N ATOM 487 CA ALA A 946 8.008 22.771 -4.096 1.00 0.00 C ATOM 488 C ALA A 946 6.962 23.835 -4.438 1.00 0.00 C ATOM 489 O ALA A 946 6.052 24.091 -3.651 1.00 0.00 O ATOM 490 CB ALA A 946 7.413 21.362 -4.052 1.00 0.00 C ATOM 0 H ALA A 946 8.834 22.273 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 946 8.761 22.782 -4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 946 6.962 21.127 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.201 20.641 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.651 21.313 -3.274 1.00 0.00 H new ATOM 496 N PRO A 947 7.131 24.441 -5.644 1.00 0.00 N ATOM 497 CA PRO A 947 6.213 25.471 -6.099 1.00 0.00 C ATOM 498 C PRO A 947 4.886 24.860 -6.553 1.00 0.00 C ATOM 499 O PRO A 947 4.722 23.641 -6.541 1.00 0.00 O ATOM 500 CB PRO A 947 6.950 26.188 -7.218 1.00 0.00 C ATOM 501 CG PRO A 947 8.057 25.245 -7.660 1.00 0.00 C ATOM 502 CD PRO A 947 8.197 24.162 -6.602 1.00 0.00 C ATOM 0 HA PRO A 947 5.939 26.170 -5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.278 26.416 -8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.360 27.136 -6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.819 24.804 -8.628 1.00 0.00 H new ATOM 0 HG3 PRO A 947 8.995 25.787 -7.778 1.00 0.00 H new ATOM 0 HD2 PRO A 947 8.089 23.168 -7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.177 24.198 -6.126 1.00 0.00 H new ATOM 510 N PRO A 948 3.947 25.759 -6.954 1.00 0.00 N ATOM 511 CA PRO A 948 2.639 25.321 -7.411 1.00 0.00 C ATOM 512 C PRO A 948 2.720 24.727 -8.818 1.00 0.00 C ATOM 513 O PRO A 948 1.823 24.000 -9.242 1.00 0.00 O ATOM 514 CB PRO A 948 1.762 26.561 -7.339 1.00 0.00 C ATOM 515 CG PRO A 948 2.716 27.743 -7.291 1.00 0.00 C ATOM 516 CD PRO A 948 4.105 27.210 -6.982 1.00 0.00 C ATOM 0 HA PRO A 948 2.225 24.520 -6.798 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.104 26.625 -8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.124 26.538 -6.455 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.714 28.274 -8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.402 28.456 -6.528 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.824 27.515 -7.742 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.471 27.587 -6.027 1.00 0.00 H new ATOM 524 N GLU A 949 3.804 25.059 -9.504 1.00 0.00 N ATOM 525 CA GLU A 949 4.015 24.567 -10.855 1.00 0.00 C ATOM 526 C GLU A 949 4.693 23.196 -10.821 1.00 0.00 C ATOM 527 O GLU A 949 4.729 22.493 -11.830 1.00 0.00 O ATOM 528 CB GLU A 949 4.833 25.563 -11.680 1.00 0.00 C ATOM 529 CG GLU A 949 3.919 26.519 -12.450 1.00 0.00 C ATOM 530 CD GLU A 949 3.511 25.920 -13.798 1.00 0.00 C ATOM 531 OE1 GLU A 949 4.434 25.581 -14.570 1.00 0.00 O ATOM 532 OE2 GLU A 949 2.287 25.816 -14.025 1.00 0.00 O ATOM 0 H GLU A 949 4.546 25.663 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 949 3.043 24.458 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.490 26.133 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.472 25.023 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 949 3.029 26.733 -11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 949 4.431 27.468 -12.610 1.00 0.00 H new ATOM 539 N GLU A 950 5.213 22.857 -9.651 1.00 0.00 N ATOM 540 CA GLU A 950 5.888 21.583 -9.473 1.00 0.00 C ATOM 541 C GLU A 950 5.094 20.691 -8.515 1.00 0.00 C ATOM 542 O GLU A 950 5.448 19.532 -8.304 1.00 0.00 O ATOM 543 CB GLU A 950 7.320 21.786 -8.973 1.00 0.00 C ATOM 544 CG GLU A 950 8.324 21.079 -9.886 1.00 0.00 C ATOM 545 CD GLU A 950 9.106 22.091 -10.727 1.00 0.00 C ATOM 546 OE1 GLU A 950 8.441 22.861 -11.452 1.00 0.00 O ATOM 547 OE2 GLU A 950 10.352 22.070 -10.625 1.00 0.00 O ATOM 0 H GLU A 950 5.181 23.443 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 950 5.943 21.085 -10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.547 22.851 -8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.413 21.401 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.015 20.489 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.799 20.384 -10.541 1.00 0.00 H new ATOM 554 N TYR A 951 4.037 21.266 -7.962 1.00 0.00 N ATOM 555 CA TYR A 951 3.190 20.538 -7.032 1.00 0.00 C ATOM 556 C TYR A 951 2.022 19.872 -7.761 1.00 0.00 C ATOM 557 O TYR A 951 1.614 18.766 -7.407 1.00 0.00 O ATOM 558 CB TYR A 951 2.639 21.582 -6.058 1.00 0.00 C ATOM 559 CG TYR A 951 1.820 20.989 -4.910 1.00 0.00 C ATOM 560 CD1 TYR A 951 2.221 19.812 -4.311 1.00 0.00 C ATOM 561 CD2 TYR A 951 0.680 21.632 -4.472 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.450 19.255 -3.230 1.00 0.00 C ATOM 563 CE2 TYR A 951 -0.091 21.075 -3.391 1.00 0.00 C ATOM 564 CZ TYR A 951 0.332 19.913 -2.824 1.00 0.00 C ATOM 565 OH TYR A 951 -0.396 19.387 -1.803 1.00 0.00 O ATOM 0 H TYR A 951 3.747 22.228 -8.140 1.00 0.00 H new ATOM 0 HA TYR A 951 3.757 19.755 -6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.471 22.151 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 951 2.016 22.286 -6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 951 3.113 19.309 -4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.366 22.553 -4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 951 1.753 18.335 -2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.985 21.568 -3.038 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.568 20.081 -1.132 1.00 0.00 H new ATOM 575 N VAL A 952 1.516 20.571 -8.766 1.00 0.00 N ATOM 576 CA VAL A 952 0.403 20.061 -9.548 1.00 0.00 C ATOM 577 C VAL A 952 0.732 18.648 -10.033 1.00 0.00 C ATOM 578 O VAL A 952 -0.098 17.745 -9.936 1.00 0.00 O ATOM 579 CB VAL A 952 0.080 21.026 -10.691 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.339 20.264 -11.950 1.00 0.00 C ATOM 581 CG2 VAL A 952 -0.996 22.030 -10.274 1.00 0.00 C ATOM 0 H VAL A 952 1.857 21.487 -9.057 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.496 19.993 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 952 0.987 21.585 -10.924 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.563 20.973 -12.747 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.473 19.608 -12.265 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.226 19.667 -11.736 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.206 22.704 -11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.906 21.496 -10.001 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.643 22.607 -9.419 1.00 0.00 H new ATOM 591 N PRO A 953 1.976 18.496 -10.560 1.00 0.00 N ATOM 592 CA PRO A 953 2.425 17.208 -11.061 1.00 0.00 C ATOM 593 C PRO A 953 2.759 16.258 -9.909 1.00 0.00 C ATOM 594 O PRO A 953 2.277 15.127 -9.873 1.00 0.00 O ATOM 595 CB PRO A 953 3.626 17.524 -11.938 1.00 0.00 C ATOM 596 CG PRO A 953 4.088 18.912 -11.527 1.00 0.00 C ATOM 597 CD PRO A 953 2.986 19.543 -10.692 1.00 0.00 C ATOM 0 HA PRO A 953 1.657 16.688 -11.633 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.419 16.790 -11.794 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.356 17.499 -12.994 1.00 0.00 H new ATOM 0 HG2 PRO A 953 5.014 18.852 -10.955 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.296 19.521 -12.407 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.359 19.859 -9.718 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.577 20.428 -11.179 1.00 0.00 H new ATOM 605 N MET A 954 3.582 16.752 -8.996 1.00 0.00 N ATOM 606 CA MET A 954 3.985 15.961 -7.846 1.00 0.00 C ATOM 607 C MET A 954 2.862 15.020 -7.406 1.00 0.00 C ATOM 608 O MET A 954 3.063 13.810 -7.313 1.00 0.00 O ATOM 609 CB MET A 954 4.353 16.893 -6.689 1.00 0.00 C ATOM 610 CG MET A 954 5.840 16.783 -6.347 1.00 0.00 C ATOM 611 SD MET A 954 6.492 18.392 -5.932 1.00 0.00 S ATOM 612 CE MET A 954 5.526 18.751 -4.474 1.00 0.00 C ATOM 0 H MET A 954 3.981 17.690 -9.029 1.00 0.00 H new ATOM 0 HA MET A 954 4.848 15.358 -8.128 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.113 17.922 -6.956 1.00 0.00 H new ATOM 0 HB3 MET A 954 3.755 16.644 -5.812 1.00 0.00 H new ATOM 0 HG2 MET A 954 5.979 16.098 -5.510 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.386 16.367 -7.194 1.00 0.00 H new ATOM 0 HE1 MET A 954 5.086 19.744 -4.564 1.00 0.00 H new ATOM 0 HE2 MET A 954 4.733 18.011 -4.372 1.00 0.00 H new ATOM 0 HE3 MET A 954 6.169 18.718 -3.594 1.00 0.00 H new ATOM 622 N VAL A 955 1.705 15.611 -7.148 1.00 0.00 N ATOM 623 CA VAL A 955 0.550 14.839 -6.721 1.00 0.00 C ATOM 624 C VAL A 955 0.147 13.872 -7.835 1.00 0.00 C ATOM 625 O VAL A 955 -0.043 12.682 -7.591 1.00 0.00 O ATOM 626 CB VAL A 955 -0.583 15.780 -6.307 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.949 15.158 -6.606 1.00 0.00 C ATOM 628 CG2 VAL A 955 -0.467 16.163 -4.830 1.00 0.00 C ATOM 0 H VAL A 955 1.542 16.615 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 955 0.794 14.239 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.493 16.692 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.737 15.847 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -2.032 14.960 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -2.052 14.224 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.285 16.832 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -0.518 15.264 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.485 16.666 -4.658 1.00 0.00 H new ATOM 638 N LYS A 956 0.029 14.420 -9.036 1.00 0.00 N ATOM 639 CA LYS A 956 -0.347 13.620 -10.189 1.00 0.00 C ATOM 640 C LYS A 956 0.540 12.375 -10.253 1.00 0.00 C ATOM 641 O LYS A 956 0.071 11.291 -10.598 1.00 0.00 O ATOM 642 CB LYS A 956 -0.311 14.466 -11.463 1.00 0.00 C ATOM 643 CG LYS A 956 -1.726 14.792 -11.946 1.00 0.00 C ATOM 644 CD LYS A 956 -2.352 15.904 -11.101 1.00 0.00 C ATOM 645 CE LYS A 956 -2.565 17.170 -11.932 1.00 0.00 C ATOM 646 NZ LYS A 956 -3.293 18.191 -11.145 1.00 0.00 N ATOM 0 H LYS A 956 0.187 15.408 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.376 13.274 -10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.235 15.391 -11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 956 0.229 13.931 -12.244 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.696 15.098 -12.992 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -2.347 13.898 -11.894 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -3.306 15.565 -10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -1.707 16.127 -10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -1.602 17.568 -12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -3.127 16.929 -12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -3.429 19.044 -11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -4.220 17.814 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -2.742 18.433 -10.297 1.00 0.00 H new ATOM 660 N GLU A 957 1.806 12.571 -9.915 1.00 0.00 N ATOM 661 CA GLU A 957 2.762 11.478 -9.929 1.00 0.00 C ATOM 662 C GLU A 957 2.318 10.371 -8.971 1.00 0.00 C ATOM 663 O GLU A 957 2.440 9.188 -9.285 1.00 0.00 O ATOM 664 CB GLU A 957 4.167 11.974 -9.580 1.00 0.00 C ATOM 665 CG GLU A 957 4.999 12.198 -10.845 1.00 0.00 C ATOM 666 CD GLU A 957 5.585 13.611 -10.872 1.00 0.00 C ATOM 667 OE1 GLU A 957 4.818 14.549 -10.563 1.00 0.00 O ATOM 668 OE2 GLU A 957 6.785 13.722 -11.202 1.00 0.00 O ATOM 0 H GLU A 957 2.192 13.471 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 957 2.798 11.066 -10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 957 4.099 12.904 -9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.664 11.247 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 957 5.805 11.465 -10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 957 4.377 12.041 -11.726 1.00 0.00 H new ATOM 675 N VAL A 958 1.811 10.795 -7.823 1.00 0.00 N ATOM 676 CA VAL A 958 1.348 9.854 -6.817 1.00 0.00 C ATOM 677 C VAL A 958 0.159 9.067 -7.370 1.00 0.00 C ATOM 678 O VAL A 958 0.131 7.840 -7.290 1.00 0.00 O ATOM 679 CB VAL A 958 1.023 10.595 -5.518 1.00 0.00 C ATOM 680 CG1 VAL A 958 0.307 9.675 -4.527 1.00 0.00 C ATOM 681 CG2 VAL A 958 2.286 11.194 -4.897 1.00 0.00 C ATOM 0 H VAL A 958 1.711 11.777 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 958 2.131 9.134 -6.578 1.00 0.00 H new ATOM 0 HB VAL A 958 0.348 11.416 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 958 0.087 10.226 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.624 9.319 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 958 0.947 8.824 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 958 2.026 11.715 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 958 2.996 10.397 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 958 2.737 11.898 -5.597 1.00 0.00 H new ATOM 691 N GLY A 959 -0.794 9.805 -7.919 1.00 0.00 N ATOM 692 CA GLY A 959 -1.983 9.191 -8.486 1.00 0.00 C ATOM 693 C GLY A 959 -1.616 8.216 -9.606 1.00 0.00 C ATOM 694 O GLY A 959 -2.394 7.322 -9.936 1.00 0.00 O ATOM 0 H GLY A 959 -0.767 10.823 -7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.532 8.664 -7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.646 9.964 -8.875 1.00 0.00 H new ATOM 698 N LEU A 960 -0.430 8.420 -10.160 1.00 0.00 N ATOM 699 CA LEU A 960 0.050 7.571 -11.236 1.00 0.00 C ATOM 700 C LEU A 960 0.702 6.321 -10.641 1.00 0.00 C ATOM 701 O LEU A 960 0.473 5.210 -11.118 1.00 0.00 O ATOM 702 CB LEU A 960 0.971 8.358 -12.171 1.00 0.00 C ATOM 703 CG LEU A 960 0.407 8.672 -13.559 1.00 0.00 C ATOM 704 CD1 LEU A 960 0.795 10.084 -14.002 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.838 7.614 -14.577 1.00 0.00 C ATOM 0 H LEU A 960 0.213 9.162 -9.883 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.782 7.235 -11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 960 1.232 9.298 -11.685 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.897 7.796 -12.295 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.681 8.640 -13.501 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.382 10.281 -14.991 1.00 0.00 H new ATOM 0 HD12 LEU A 960 0.399 10.810 -13.292 1.00 0.00 H new ATOM 0 HD13 LEU A 960 1.881 10.168 -14.039 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.424 7.860 -15.555 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.926 7.590 -14.639 1.00 0.00 H new ATOM 0 HD23 LEU A 960 0.471 6.637 -14.263 1.00 0.00 H new ATOM 717 N ALA A 961 1.502 6.544 -9.609 1.00 0.00 N ATOM 718 CA ALA A 961 2.188 5.449 -8.944 1.00 0.00 C ATOM 719 C ALA A 961 1.163 4.572 -8.224 1.00 0.00 C ATOM 720 O ALA A 961 1.233 3.346 -8.292 1.00 0.00 O ATOM 721 CB ALA A 961 3.245 6.013 -7.991 1.00 0.00 C ATOM 0 H ALA A 961 1.691 7.467 -9.217 1.00 0.00 H new ATOM 0 HA ALA A 961 2.705 4.822 -9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 961 3.760 5.192 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.966 6.604 -8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 961 2.763 6.645 -7.246 1.00 0.00 H new ATOM 727 N LEU A 962 0.233 5.234 -7.551 1.00 0.00 N ATOM 728 CA LEU A 962 -0.806 4.529 -6.819 1.00 0.00 C ATOM 729 C LEU A 962 -1.675 3.746 -7.804 1.00 0.00 C ATOM 730 O LEU A 962 -2.164 2.664 -7.482 1.00 0.00 O ATOM 731 CB LEU A 962 -1.596 5.502 -5.941 1.00 0.00 C ATOM 732 CG LEU A 962 -3.114 5.497 -6.132 1.00 0.00 C ATOM 733 CD1 LEU A 962 -3.496 6.082 -7.494 1.00 0.00 C ATOM 734 CD2 LEU A 962 -3.688 4.094 -5.930 1.00 0.00 C ATOM 0 H LEU A 962 0.177 6.251 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 962 -0.366 3.804 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.380 5.275 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -1.229 6.511 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.557 6.138 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -4.580 6.067 -7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -3.138 7.109 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -3.042 5.487 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -4.768 4.119 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.243 3.411 -6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -3.462 3.750 -4.921 1.00 0.00 H new ATOM 746 N ARG A 963 -1.841 4.322 -8.986 1.00 0.00 N ATOM 747 CA ARG A 963 -2.643 3.691 -10.020 1.00 0.00 C ATOM 748 C ARG A 963 -2.102 2.294 -10.333 1.00 0.00 C ATOM 749 O ARG A 963 -2.824 1.305 -10.222 1.00 0.00 O ATOM 750 CB ARG A 963 -2.648 4.527 -11.301 1.00 0.00 C ATOM 751 CG ARG A 963 -3.574 3.914 -12.353 1.00 0.00 C ATOM 752 CD ARG A 963 -4.736 4.855 -12.677 1.00 0.00 C ATOM 753 NE ARG A 963 -4.637 5.318 -14.079 1.00 0.00 N ATOM 754 CZ ARG A 963 -5.584 6.030 -14.704 1.00 0.00 C ATOM 755 NH1 ARG A 963 -6.707 6.367 -14.054 1.00 0.00 N ATOM 756 NH2 ARG A 963 -5.409 6.407 -15.978 1.00 0.00 N ATOM 0 H ARG A 963 -1.434 5.219 -9.250 1.00 0.00 H new ATOM 0 HA ARG A 963 -3.664 3.614 -9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -2.971 5.543 -11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -1.635 4.596 -11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -3.009 3.702 -13.261 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -3.962 2.962 -11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -5.685 4.342 -12.521 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -4.722 5.710 -12.001 1.00 0.00 H new ATOM 0 HE ARG A 963 -3.795 5.080 -14.602 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -6.840 6.081 -13.084 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -7.428 6.909 -14.530 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -4.554 6.152 -16.473 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -6.131 6.949 -16.453 1.00 0.00 H new ATOM 770 N THR A 964 -0.835 2.258 -10.719 1.00 0.00 N ATOM 771 CA THR A 964 -0.189 1.000 -11.049 1.00 0.00 C ATOM 772 C THR A 964 -0.370 -0.008 -9.912 1.00 0.00 C ATOM 773 O THR A 964 -0.717 -1.163 -10.151 1.00 0.00 O ATOM 774 CB THR A 964 1.278 1.292 -11.373 1.00 0.00 C ATOM 775 OG1 THR A 964 1.228 1.976 -12.622 1.00 0.00 O ATOM 776 CG2 THR A 964 2.075 0.022 -11.676 1.00 0.00 C ATOM 0 H THR A 964 -0.239 3.080 -10.810 1.00 0.00 H new ATOM 0 HA THR A 964 -0.646 0.540 -11.925 1.00 0.00 H new ATOM 0 HB THR A 964 1.737 1.817 -10.535 1.00 0.00 H new ATOM 0 HG1 THR A 964 2.138 2.205 -12.906 1.00 0.00 H new ATOM 0 HG21 THR A 964 3.109 0.286 -11.899 1.00 0.00 H new ATOM 0 HG22 THR A 964 2.048 -0.640 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.637 -0.486 -12.535 1.00 0.00 H new ATOM 784 N LEU A 965 -0.128 0.467 -8.699 1.00 0.00 N ATOM 785 CA LEU A 965 -0.260 -0.377 -7.524 1.00 0.00 C ATOM 786 C LEU A 965 -1.577 -1.152 -7.605 1.00 0.00 C ATOM 787 O LEU A 965 -1.585 -2.380 -7.520 1.00 0.00 O ATOM 788 CB LEU A 965 -0.113 0.453 -6.248 1.00 0.00 C ATOM 789 CG LEU A 965 -0.214 -0.318 -4.931 1.00 0.00 C ATOM 790 CD1 LEU A 965 -1.659 -0.363 -4.431 1.00 0.00 C ATOM 791 CD2 LEU A 965 0.390 -1.717 -5.067 1.00 0.00 C ATOM 0 H LEU A 965 0.159 1.426 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 965 0.543 -1.113 -7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.852 0.959 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -0.880 1.228 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 965 0.370 0.213 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.702 -0.917 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -2.020 0.653 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.286 -0.857 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 965 0.305 -2.244 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.145 -2.271 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 965 1.441 -1.634 -5.343 1.00 0.00 H new ATOM 803 N LEU A 966 -2.658 -0.404 -7.769 1.00 0.00 N ATOM 804 CA LEU A 966 -3.978 -1.006 -7.862 1.00 0.00 C ATOM 805 C LEU A 966 -3.905 -2.249 -8.751 1.00 0.00 C ATOM 806 O LEU A 966 -4.207 -3.355 -8.304 1.00 0.00 O ATOM 807 CB LEU A 966 -5.005 0.026 -8.331 1.00 0.00 C ATOM 808 CG LEU A 966 -5.840 0.688 -7.233 1.00 0.00 C ATOM 809 CD1 LEU A 966 -4.944 1.247 -6.125 1.00 0.00 C ATOM 810 CD2 LEU A 966 -6.765 1.758 -7.817 1.00 0.00 C ATOM 0 H LEU A 966 -2.647 0.613 -7.840 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.317 -1.335 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -4.481 0.807 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -5.683 -0.459 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 966 -6.475 -0.074 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -5.562 1.712 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -4.364 0.437 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -4.267 1.991 -6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -7.347 2.213 -7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -6.168 2.524 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -7.440 1.300 -8.541 1.00 0.00 H new ATOM 822 N ALA A 967 -3.503 -2.026 -9.993 1.00 0.00 N ATOM 823 CA ALA A 967 -3.387 -3.115 -10.949 1.00 0.00 C ATOM 824 C ALA A 967 -2.437 -4.177 -10.392 1.00 0.00 C ATOM 825 O ALA A 967 -2.729 -5.370 -10.455 1.00 0.00 O ATOM 826 CB ALA A 967 -2.919 -2.563 -12.297 1.00 0.00 C ATOM 0 H ALA A 967 -3.253 -1.108 -10.360 1.00 0.00 H new ATOM 0 HA ALA A 967 -4.355 -3.590 -11.110 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.832 -3.379 -13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.642 -1.834 -12.663 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.949 -2.081 -12.176 1.00 0.00 H new ATOM 832 N THR A 968 -1.319 -3.705 -9.860 1.00 0.00 N ATOM 833 CA THR A 968 -0.324 -4.600 -9.293 1.00 0.00 C ATOM 834 C THR A 968 -0.958 -5.492 -8.224 1.00 0.00 C ATOM 835 O THR A 968 -0.722 -6.699 -8.198 1.00 0.00 O ATOM 836 CB THR A 968 0.832 -3.748 -8.767 1.00 0.00 C ATOM 837 OG1 THR A 968 1.026 -2.762 -9.777 1.00 0.00 O ATOM 838 CG2 THR A 968 2.157 -4.514 -8.735 1.00 0.00 C ATOM 0 H THR A 968 -1.080 -2.715 -9.810 1.00 0.00 H new ATOM 0 HA THR A 968 0.072 -5.281 -10.046 1.00 0.00 H new ATOM 0 HB THR A 968 0.593 -3.393 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 968 0.541 -1.946 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.944 -3.864 -8.354 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.059 -5.384 -8.086 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.413 -4.841 -9.743 1.00 0.00 H new ATOM 846 N VAL A 969 -1.749 -4.864 -7.367 1.00 0.00 N ATOM 847 CA VAL A 969 -2.418 -5.585 -6.298 1.00 0.00 C ATOM 848 C VAL A 969 -3.195 -6.762 -6.892 1.00 0.00 C ATOM 849 O VAL A 969 -3.138 -7.875 -6.370 1.00 0.00 O ATOM 850 CB VAL A 969 -3.302 -4.630 -5.495 1.00 0.00 C ATOM 851 CG1 VAL A 969 -4.084 -5.382 -4.415 1.00 0.00 C ATOM 852 CG2 VAL A 969 -2.473 -3.499 -4.883 1.00 0.00 C ATOM 0 H VAL A 969 -1.942 -3.863 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.689 -5.995 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 969 -4.022 -4.185 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -4.704 -4.679 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -4.719 -6.135 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -3.387 -5.868 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -3.126 -2.834 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.719 -3.920 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.983 -2.936 -5.677 1.00 0.00 H new ATOM 862 N ASP A 970 -3.903 -6.476 -7.974 1.00 0.00 N ATOM 863 CA ASP A 970 -4.691 -7.497 -8.645 1.00 0.00 C ATOM 864 C ASP A 970 -3.823 -8.737 -8.872 1.00 0.00 C ATOM 865 O ASP A 970 -4.282 -9.863 -8.683 1.00 0.00 O ATOM 866 CB ASP A 970 -5.182 -7.007 -10.008 1.00 0.00 C ATOM 867 CG ASP A 970 -6.150 -7.951 -10.724 1.00 0.00 C ATOM 868 OD1 ASP A 970 -7.225 -8.211 -10.142 1.00 0.00 O ATOM 869 OD2 ASP A 970 -5.793 -8.392 -11.838 1.00 0.00 O ATOM 0 H ASP A 970 -3.948 -5.552 -8.403 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.550 -7.729 -8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -5.671 -6.042 -9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.317 -6.841 -10.651 1.00 0.00 H new ATOM 874 N GLU A 971 -2.586 -8.488 -9.274 1.00 0.00 N ATOM 875 CA GLU A 971 -1.650 -9.570 -9.529 1.00 0.00 C ATOM 876 C GLU A 971 -1.160 -10.170 -8.210 1.00 0.00 C ATOM 877 O GLU A 971 -0.723 -11.319 -8.171 1.00 0.00 O ATOM 878 CB GLU A 971 -0.475 -9.089 -10.383 1.00 0.00 C ATOM 879 CG GLU A 971 0.412 -10.262 -10.806 1.00 0.00 C ATOM 880 CD GLU A 971 1.555 -9.788 -11.706 1.00 0.00 C ATOM 881 OE1 GLU A 971 2.498 -9.181 -11.153 1.00 0.00 O ATOM 882 OE2 GLU A 971 1.460 -10.043 -12.926 1.00 0.00 O ATOM 0 H GLU A 971 -2.210 -7.553 -9.430 1.00 0.00 H new ATOM 0 HA GLU A 971 -2.169 -10.348 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -0.850 -8.575 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 971 0.116 -8.366 -9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 971 0.820 -10.752 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -0.187 -11.004 -11.333 1.00 0.00 H new ATOM 889 N SER A 972 -1.250 -9.366 -7.161 1.00 0.00 N ATOM 890 CA SER A 972 -0.821 -9.803 -5.844 1.00 0.00 C ATOM 891 C SER A 972 -1.966 -10.529 -5.135 1.00 0.00 C ATOM 892 O SER A 972 -1.741 -11.259 -4.171 1.00 0.00 O ATOM 893 CB SER A 972 -0.340 -8.621 -5.001 1.00 0.00 C ATOM 894 OG SER A 972 -0.222 -8.961 -3.622 1.00 0.00 O ATOM 0 H SER A 972 -1.614 -8.414 -7.197 1.00 0.00 H new ATOM 0 HA SER A 972 0.016 -10.491 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.625 -8.279 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 972 -1.037 -7.790 -5.111 1.00 0.00 H new ATOM 0 HG SER A 972 0.089 -8.180 -3.118 1.00 0.00 H new ATOM 900 N LEU A 973 -3.170 -10.303 -5.640 1.00 0.00 N ATOM 901 CA LEU A 973 -4.351 -10.926 -5.067 1.00 0.00 C ATOM 902 C LEU A 973 -4.124 -12.435 -4.957 1.00 0.00 C ATOM 903 O LEU A 973 -4.289 -13.015 -3.885 1.00 0.00 O ATOM 904 CB LEU A 973 -5.598 -10.549 -5.869 1.00 0.00 C ATOM 905 CG LEU A 973 -6.759 -9.958 -5.066 1.00 0.00 C ATOM 906 CD1 LEU A 973 -8.104 -10.308 -5.707 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.691 -10.396 -3.601 1.00 0.00 C ATOM 0 H LEU A 973 -3.353 -9.697 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.525 -10.555 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.309 -9.830 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.956 -11.439 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.668 -8.872 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -8.912 -9.876 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -8.140 -9.906 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.219 -11.391 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.527 -9.962 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.744 -11.483 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -5.753 -10.055 -3.162 1.00 0.00 H new ATOM 919 N PRO A 974 -3.738 -13.044 -6.111 1.00 0.00 N ATOM 920 CA PRO A 974 -3.487 -14.474 -6.154 1.00 0.00 C ATOM 921 C PRO A 974 -2.153 -14.816 -5.487 1.00 0.00 C ATOM 922 O PRO A 974 -2.025 -15.858 -4.846 1.00 0.00 O ATOM 923 CB PRO A 974 -3.523 -14.835 -7.630 1.00 0.00 C ATOM 924 CG PRO A 974 -3.330 -13.529 -8.384 1.00 0.00 C ATOM 925 CD PRO A 974 -3.533 -12.389 -7.399 1.00 0.00 C ATOM 0 HA PRO A 974 -4.228 -15.049 -5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.737 -15.548 -7.877 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.472 -15.302 -7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.332 -13.484 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -4.041 -13.454 -9.207 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.666 -11.728 -7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.392 -11.777 -7.673 1.00 0.00 H new ATOM 933 N VAL A 975 -1.193 -13.920 -5.661 1.00 0.00 N ATOM 934 CA VAL A 975 0.126 -14.114 -5.085 1.00 0.00 C ATOM 935 C VAL A 975 -0.019 -14.517 -3.616 1.00 0.00 C ATOM 936 O VAL A 975 0.856 -15.182 -3.062 1.00 0.00 O ATOM 937 CB VAL A 975 0.972 -12.854 -5.278 1.00 0.00 C ATOM 938 CG1 VAL A 975 2.251 -12.918 -4.440 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.296 -12.632 -6.757 1.00 0.00 C ATOM 0 H VAL A 975 -1.303 -13.057 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 975 0.650 -14.922 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 975 0.387 -12.002 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.834 -12.010 -4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.991 -13.006 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.841 -13.784 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 975 1.898 -11.730 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.852 -13.488 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.369 -12.520 -7.320 1.00 0.00 H new ATOM 949 N LEU A 976 -1.129 -14.098 -3.027 1.00 0.00 N ATOM 950 CA LEU A 976 -1.399 -14.407 -1.633 1.00 0.00 C ATOM 951 C LEU A 976 -2.471 -15.496 -1.555 1.00 0.00 C ATOM 952 O LEU A 976 -3.203 -15.722 -2.518 1.00 0.00 O ATOM 953 CB LEU A 976 -1.758 -13.135 -0.862 1.00 0.00 C ATOM 954 CG LEU A 976 -0.604 -12.166 -0.593 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.120 -12.523 0.707 1.00 0.00 C ATOM 956 CD2 LEU A 976 0.353 -12.109 -1.785 1.00 0.00 C ATOM 0 H LEU A 976 -1.852 -13.547 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 976 -0.505 -14.803 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.531 -12.603 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.194 -13.424 0.094 1.00 0.00 H new ATOM 0 HG LEU A 976 -1.020 -11.166 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 976 0.935 -11.819 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -0.581 -12.471 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.522 -13.533 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 976 1.164 -11.413 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 976 0.765 -13.101 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -0.187 -11.772 -2.670 1.00 0.00 H new ATOM 968 N PRO A 977 -2.532 -16.160 -0.370 1.00 0.00 N ATOM 969 CA PRO A 977 -3.502 -17.219 -0.154 1.00 0.00 C ATOM 970 C PRO A 977 -4.904 -16.644 0.057 1.00 0.00 C ATOM 971 O PRO A 977 -5.109 -15.802 0.929 1.00 0.00 O ATOM 972 CB PRO A 977 -2.987 -17.985 1.054 1.00 0.00 C ATOM 973 CG PRO A 977 -2.006 -17.054 1.750 1.00 0.00 C ATOM 974 CD PRO A 977 -1.681 -15.919 0.793 1.00 0.00 C ATOM 0 HA PRO A 977 -3.601 -17.880 -1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -3.805 -18.260 1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -2.499 -18.911 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -2.438 -16.664 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -1.099 -17.592 2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -1.891 -14.949 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -0.626 -15.922 0.519 1.00 0.00 H new ATOM 982 N ALA A 978 -5.834 -17.123 -0.758 1.00 0.00 N ATOM 983 CA ALA A 978 -7.211 -16.667 -0.672 1.00 0.00 C ATOM 984 C ALA A 978 -7.621 -16.573 0.799 1.00 0.00 C ATOM 985 O ALA A 978 -7.653 -17.580 1.504 1.00 0.00 O ATOM 986 CB ALA A 978 -8.112 -17.612 -1.469 1.00 0.00 C ATOM 0 H ALA A 978 -5.660 -17.822 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 978 -7.315 -15.673 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -9.145 -17.270 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -7.797 -17.621 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -8.037 -18.619 -1.058 1.00 0.00 H new ATOM 992 N SER A 979 -7.925 -15.353 1.219 1.00 0.00 N ATOM 993 CA SER A 979 -8.332 -15.115 2.593 1.00 0.00 C ATOM 994 C SER A 979 -8.102 -13.647 2.960 1.00 0.00 C ATOM 995 O SER A 979 -8.767 -13.113 3.846 1.00 0.00 O ATOM 996 CB SER A 979 -7.574 -16.028 3.559 1.00 0.00 C ATOM 997 OG SER A 979 -6.264 -16.333 3.088 1.00 0.00 O ATOM 0 H SER A 979 -7.897 -14.520 0.632 1.00 0.00 H new ATOM 0 HA SER A 979 -9.394 -15.343 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 979 -7.506 -15.547 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 979 -8.134 -16.953 3.698 1.00 0.00 H new ATOM 0 HG SER A 979 -6.274 -17.202 2.634 1.00 0.00 H new ATOM 1003 N THR A 980 -7.158 -13.036 2.259 1.00 0.00 N ATOM 1004 CA THR A 980 -6.832 -11.641 2.499 1.00 0.00 C ATOM 1005 C THR A 980 -7.473 -10.752 1.432 1.00 0.00 C ATOM 1006 O THR A 980 -7.323 -9.531 1.463 1.00 0.00 O ATOM 1007 CB THR A 980 -5.308 -11.515 2.560 1.00 0.00 C ATOM 1008 OG1 THR A 980 -5.076 -10.109 2.556 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.629 -12.009 1.281 1.00 0.00 C ATOM 0 H THR A 980 -6.608 -13.482 1.525 1.00 0.00 H new ATOM 0 HA THR A 980 -7.239 -11.298 3.450 1.00 0.00 H new ATOM 0 HB THR A 980 -4.930 -12.079 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 980 -5.934 -9.636 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.549 -11.898 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.873 -13.059 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.981 -11.422 0.432 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.175 -11.398 0.513 1.00 0.00 N ATOM 1018 CA HIS A 981 -8.840 -10.681 -0.562 1.00 0.00 C ATOM 1019 C HIS A 981 -9.888 -9.734 0.024 1.00 0.00 C ATOM 1020 O HIS A 981 -10.016 -8.593 -0.418 1.00 0.00 O ATOM 1021 CB HIS A 981 -9.428 -11.657 -1.583 1.00 0.00 C ATOM 1022 CG HIS A 981 -10.025 -12.902 -0.970 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -11.132 -12.872 -0.140 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -9.658 -14.211 -1.076 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -11.409 -14.113 0.231 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -10.494 -14.941 -0.349 1.00 0.00 N ATOM 0 H HIS A 981 -8.298 -12.410 0.490 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.114 -10.074 -1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.197 -11.144 -2.160 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -8.646 -11.949 -2.284 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -8.828 -14.589 -1.654 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -12.218 -14.416 0.879 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -10.458 -15.955 -0.242 1.00 0.00 H new ATOM 1034 N ARG A 982 -10.611 -10.241 1.012 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.644 -9.454 1.663 1.00 0.00 C ATOM 1036 C ARG A 982 -11.086 -8.095 2.091 1.00 0.00 C ATOM 1037 O ARG A 982 -11.371 -7.077 1.462 1.00 0.00 O ATOM 1038 CB ARG A 982 -12.197 -10.179 2.892 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.700 -10.427 2.752 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.496 -9.517 3.691 1.00 0.00 C ATOM 1041 NE ARG A 982 -15.899 -9.418 3.232 1.00 0.00 N ATOM 1042 CZ ARG A 982 -16.914 -9.006 4.003 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -16.689 -8.652 5.275 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -18.156 -8.948 3.502 1.00 0.00 N ATOM 0 H ARG A 982 -10.502 -11.187 1.377 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.452 -9.310 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -11.679 -11.129 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -12.004 -9.586 3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -14.007 -10.250 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.922 -11.470 2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -14.464 -9.912 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -14.044 -8.526 3.720 1.00 0.00 H new ATOM 0 HE ARG A 982 -16.106 -9.680 2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -15.744 -8.696 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -17.462 -8.338 5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -18.328 -9.218 2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -18.929 -8.634 4.089 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.300 -8.122 3.157 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.699 -6.905 3.676 1.00 0.00 C ATOM 1060 C GLU A 983 -8.991 -6.143 2.554 1.00 0.00 C ATOM 1061 O GLU A 983 -9.050 -4.916 2.499 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.734 -7.216 4.821 1.00 0.00 C ATOM 1063 CG GLU A 983 -9.494 -7.475 6.124 1.00 0.00 C ATOM 1064 CD GLU A 983 -8.709 -8.416 7.039 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -8.195 -9.425 6.510 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -8.640 -8.104 8.248 1.00 0.00 O ATOM 0 H GLU A 983 -10.065 -8.968 3.676 1.00 0.00 H new ATOM 0 HA GLU A 983 -10.492 -6.272 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -8.132 -8.089 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -8.045 -6.382 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -9.675 -6.531 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -10.469 -7.909 5.901 1.00 0.00 H new ATOM 1073 N ILE A 984 -8.339 -6.903 1.686 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.620 -6.314 0.568 1.00 0.00 C ATOM 1075 C ILE A 984 -8.578 -5.442 -0.246 1.00 0.00 C ATOM 1076 O ILE A 984 -8.284 -4.279 -0.519 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.928 -7.401 -0.256 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.623 -7.846 0.409 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.709 -6.940 -1.698 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -5.108 -9.147 -0.210 1.00 0.00 C ATOM 0 H ILE A 984 -8.293 -7.921 1.734 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.823 -5.663 0.928 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.583 -8.271 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.871 -7.065 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.785 -7.987 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -6.215 -7.731 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -7.671 -6.713 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -6.084 -6.047 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -4.180 -9.441 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.852 -9.932 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.924 -8.996 -1.274 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.705 -6.037 -0.610 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.708 -5.328 -1.387 1.00 0.00 C ATOM 1094 C GLU A 985 -11.043 -3.990 -0.726 1.00 0.00 C ATOM 1095 O GLU A 985 -11.018 -2.948 -1.379 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.965 -6.181 -1.567 1.00 0.00 C ATOM 1097 CG GLU A 985 -12.585 -5.959 -2.948 1.00 0.00 C ATOM 1098 CD GLU A 985 -13.722 -4.937 -2.881 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -13.398 -3.734 -2.784 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -14.889 -5.383 -2.928 1.00 0.00 O ATOM 0 H GLU A 985 -9.946 -7.001 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 985 -10.299 -5.129 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.715 -7.235 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.692 -5.932 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -11.820 -5.612 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -12.963 -6.904 -3.337 1.00 0.00 H new ATOM 1107 N MET A 986 -11.350 -4.062 0.561 1.00 0.00 N ATOM 1108 CA MET A 986 -11.690 -2.869 1.317 1.00 0.00 C ATOM 1109 C MET A 986 -10.467 -1.968 1.500 1.00 0.00 C ATOM 1110 O MET A 986 -10.600 -0.752 1.622 1.00 0.00 O ATOM 1111 CB MET A 986 -12.238 -3.272 2.688 1.00 0.00 C ATOM 1112 CG MET A 986 -13.763 -3.388 2.656 1.00 0.00 C ATOM 1113 SD MET A 986 -14.268 -4.976 3.297 1.00 0.00 S ATOM 1114 CE MET A 986 -14.695 -5.803 1.774 1.00 0.00 C ATOM 0 H MET A 986 -11.370 -4.928 1.099 1.00 0.00 H new ATOM 0 HA MET A 986 -12.447 -2.314 0.762 1.00 0.00 H new ATOM 0 HB2 MET A 986 -11.804 -4.224 2.992 1.00 0.00 H new ATOM 0 HB3 MET A 986 -11.941 -2.534 3.433 1.00 0.00 H new ATOM 0 HG2 MET A 986 -14.209 -2.589 3.248 1.00 0.00 H new ATOM 0 HG3 MET A 986 -14.124 -3.267 1.635 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.517 -6.873 1.879 1.00 0.00 H new ATOM 0 HE2 MET A 986 -15.747 -5.630 1.549 1.00 0.00 H new ATOM 0 HE3 MET A 986 -14.081 -5.411 0.963 1.00 0.00 H new ATOM 1124 N ALA A 987 -9.303 -2.601 1.514 1.00 0.00 N ATOM 1125 CA ALA A 987 -8.057 -1.872 1.681 1.00 0.00 C ATOM 1126 C ALA A 987 -7.771 -1.063 0.414 1.00 0.00 C ATOM 1127 O ALA A 987 -7.164 0.005 0.479 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.931 -2.854 2.011 1.00 0.00 C ATOM 0 H ALA A 987 -9.196 -3.610 1.412 1.00 0.00 H new ATOM 0 HA ALA A 987 -8.132 -1.170 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.996 -2.307 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -7.168 -3.383 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.825 -3.572 1.198 1.00 0.00 H new ATOM 1134 N GLN A 988 -8.223 -1.602 -0.709 1.00 0.00 N ATOM 1135 CA GLN A 988 -8.023 -0.943 -1.988 1.00 0.00 C ATOM 1136 C GLN A 988 -8.769 0.393 -2.019 1.00 0.00 C ATOM 1137 O GLN A 988 -8.169 1.436 -2.273 1.00 0.00 O ATOM 1138 CB GLN A 988 -8.465 -1.844 -3.143 1.00 0.00 C ATOM 1139 CG GLN A 988 -7.479 -2.996 -3.348 1.00 0.00 C ATOM 1140 CD GLN A 988 -7.385 -3.381 -4.826 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -7.481 -2.553 -5.717 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -7.192 -4.680 -5.036 1.00 0.00 N ATOM 0 H GLN A 988 -8.727 -2.487 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.958 -0.745 -2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -9.458 -2.243 -2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -8.540 -1.257 -4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -6.494 -2.706 -2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -7.796 -3.859 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -7.121 -5.319 -4.245 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -7.115 -5.037 -5.988 1.00 0.00 H new ATOM 1151 N LYS A 989 -10.065 0.317 -1.757 1.00 0.00 N ATOM 1152 CA LYS A 989 -10.898 1.507 -1.751 1.00 0.00 C ATOM 1153 C LYS A 989 -10.294 2.543 -0.802 1.00 0.00 C ATOM 1154 O LYS A 989 -10.410 3.746 -1.033 1.00 0.00 O ATOM 1155 CB LYS A 989 -12.348 1.145 -1.424 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.322 1.937 -2.299 1.00 0.00 C ATOM 1157 CD LYS A 989 -14.761 1.770 -1.808 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.685 1.342 -2.950 1.00 0.00 C ATOM 1159 NZ LYS A 989 -16.238 2.529 -3.641 1.00 0.00 N ATOM 0 H LYS A 989 -10.559 -0.550 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 989 -10.923 1.959 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.503 0.077 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.549 1.350 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -13.050 2.993 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -13.245 1.599 -3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -14.793 1.026 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -15.115 2.709 -1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -15.134 0.724 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -16.498 0.730 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -16.863 2.221 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -16.780 3.103 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -15.459 3.098 -4.031 1.00 0.00 H new ATOM 1173 N LEU A 990 -9.662 2.039 0.248 1.00 0.00 N ATOM 1174 CA LEU A 990 -9.039 2.906 1.234 1.00 0.00 C ATOM 1175 C LEU A 990 -7.996 3.788 0.545 1.00 0.00 C ATOM 1176 O LEU A 990 -8.025 5.011 0.681 1.00 0.00 O ATOM 1177 CB LEU A 990 -8.476 2.081 2.393 1.00 0.00 C ATOM 1178 CG LEU A 990 -9.138 2.301 3.755 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -9.394 0.968 4.462 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.312 3.258 4.618 1.00 0.00 C ATOM 0 H LEU A 990 -9.568 1.041 0.437 1.00 0.00 H new ATOM 0 HA LEU A 990 -9.779 3.573 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -8.560 1.025 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -7.413 2.302 2.488 1.00 0.00 H new ATOM 0 HG LEU A 990 -10.108 2.770 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -9.865 1.153 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -10.052 0.352 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -8.448 0.449 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -8.805 3.397 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.318 2.839 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -8.224 4.220 4.113 1.00 0.00 H new ATOM 1192 N LEU A 991 -7.100 3.135 -0.180 1.00 0.00 N ATOM 1193 CA LEU A 991 -6.051 3.845 -0.891 1.00 0.00 C ATOM 1194 C LEU A 991 -6.656 5.047 -1.618 1.00 0.00 C ATOM 1195 O LEU A 991 -6.279 6.189 -1.359 1.00 0.00 O ATOM 1196 CB LEU A 991 -5.286 2.891 -1.811 1.00 0.00 C ATOM 1197 CG LEU A 991 -3.944 3.400 -2.340 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -3.070 3.929 -1.201 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -3.231 2.321 -3.157 1.00 0.00 C ATOM 0 H LEU A 991 -7.079 2.121 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.313 4.235 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -5.112 1.960 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.922 2.651 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 991 -4.137 4.236 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.122 4.285 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -3.582 4.751 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -2.882 3.129 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -2.280 2.709 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -3.050 1.449 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.854 2.035 -4.004 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.585 4.749 -2.515 1.00 0.00 N ATOM 1212 CA ASN A 992 -8.247 5.791 -3.282 1.00 0.00 C ATOM 1213 C ASN A 992 -8.845 6.822 -2.322 1.00 0.00 C ATOM 1214 O ASN A 992 -8.491 7.999 -2.371 1.00 0.00 O ATOM 1215 CB ASN A 992 -9.385 5.215 -4.126 1.00 0.00 C ATOM 1216 CG ASN A 992 -10.227 6.332 -4.746 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -9.969 6.806 -5.840 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -11.247 6.725 -3.987 1.00 0.00 N ATOM 0 H ASN A 992 -7.895 3.801 -2.728 1.00 0.00 H new ATOM 0 HA ASN A 992 -7.507 6.248 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -8.975 4.584 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -10.017 4.580 -3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -11.869 7.465 -4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -11.407 6.286 -3.080 1.00 0.00 H new ATOM 1225 N SER A 993 -9.741 6.343 -1.473 1.00 0.00 N ATOM 1226 CA SER A 993 -10.392 7.209 -0.504 1.00 0.00 C ATOM 1227 C SER A 993 -9.367 8.159 0.120 1.00 0.00 C ATOM 1228 O SER A 993 -9.504 9.377 0.020 1.00 0.00 O ATOM 1229 CB SER A 993 -11.089 6.390 0.585 1.00 0.00 C ATOM 1230 OG SER A 993 -12.483 6.676 0.657 1.00 0.00 O ATOM 0 H SER A 993 -10.032 5.366 -1.435 1.00 0.00 H new ATOM 0 HA SER A 993 -11.151 7.794 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 993 -10.946 5.328 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 993 -10.625 6.600 1.549 1.00 0.00 H new ATOM 0 HG SER A 993 -12.892 6.133 1.362 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.364 7.565 0.750 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.317 8.343 1.390 1.00 0.00 C ATOM 1238 C ASP A 994 -6.662 9.258 0.353 1.00 0.00 C ATOM 1239 O ASP A 994 -6.497 10.454 0.591 1.00 0.00 O ATOM 1240 CB ASP A 994 -6.233 7.435 1.971 1.00 0.00 C ATOM 1241 CG ASP A 994 -6.694 6.524 3.111 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.696 5.809 2.895 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -6.034 6.563 4.172 1.00 0.00 O ATOM 0 H ASP A 994 -8.254 6.554 0.831 1.00 0.00 H new ATOM 0 HA ASP A 994 -7.771 8.922 2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -5.832 6.814 1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.414 8.057 2.332 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.306 8.662 -0.775 1.00 0.00 N ATOM 1249 CA LEU A 995 -5.672 9.408 -1.848 1.00 0.00 C ATOM 1250 C LEU A 995 -6.511 10.648 -2.166 1.00 0.00 C ATOM 1251 O LEU A 995 -6.013 11.771 -2.105 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.429 8.504 -3.058 1.00 0.00 C ATOM 1253 CG LEU A 995 -3.996 8.001 -3.242 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -3.239 8.861 -4.256 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -3.266 7.921 -1.900 1.00 0.00 C ATOM 0 H LEU A 995 -6.445 7.670 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 995 -4.688 9.759 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -6.089 7.640 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -5.721 9.047 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 995 -4.039 6.989 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -2.223 8.482 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -3.749 8.822 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -3.205 9.892 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -2.250 7.561 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -3.233 8.911 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -3.795 7.235 -1.239 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.770 10.402 -2.498 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.682 11.484 -2.826 1.00 0.00 C ATOM 1269 C ALA A 996 -8.507 12.617 -1.812 1.00 0.00 C ATOM 1270 O ALA A 996 -8.452 13.787 -2.187 1.00 0.00 O ATOM 1271 CB ALA A 996 -10.116 10.951 -2.862 1.00 0.00 C ATOM 0 H ALA A 996 -8.180 9.469 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.459 11.887 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.800 11.763 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -10.195 10.169 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.376 10.541 -1.886 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.425 12.230 -0.548 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.258 13.198 0.522 1.00 0.00 C ATOM 1279 C GLU A 997 -6.958 13.982 0.330 1.00 0.00 C ATOM 1280 O GLU A 997 -6.906 15.180 0.602 1.00 0.00 O ATOM 1281 CB GLU A 997 -8.289 12.514 1.890 1.00 0.00 C ATOM 1282 CG GLU A 997 -8.969 13.404 2.933 1.00 0.00 C ATOM 1283 CD GLU A 997 -10.016 12.618 3.725 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -9.736 11.436 4.019 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.073 13.217 4.019 1.00 0.00 O ATOM 0 H GLU A 997 -8.471 11.259 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.091 13.899 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -8.820 11.565 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -7.272 12.285 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -8.221 13.809 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -9.443 14.252 2.439 1.00 0.00 H new ATOM 1292 N LEU A 998 -5.940 13.273 -0.136 1.00 0.00 N ATOM 1293 CA LEU A 998 -4.644 13.887 -0.368 1.00 0.00 C ATOM 1294 C LEU A 998 -4.684 14.673 -1.680 1.00 0.00 C ATOM 1295 O LEU A 998 -4.217 15.810 -1.741 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.535 12.834 -0.316 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.151 13.294 -0.778 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.070 12.863 0.214 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -1.856 12.802 -2.197 1.00 0.00 C ATOM 0 H LEU A 998 -5.987 12.279 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.413 14.599 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -3.452 12.472 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -3.838 11.986 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.145 14.384 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.096 13.203 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -1.276 13.302 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -1.066 11.776 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.866 13.142 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -1.888 11.713 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -2.604 13.200 -2.883 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.247 14.038 -2.697 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.354 14.663 -4.004 1.00 0.00 C ATOM 1313 C ILE A 999 -6.071 16.008 -3.863 1.00 0.00 C ATOM 1314 O ILE A 999 -5.656 17.001 -4.458 1.00 0.00 O ATOM 1315 CB ILE A 999 -6.020 13.713 -5.000 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -5.165 12.463 -5.220 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -6.337 14.429 -6.314 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.824 12.822 -5.864 1.00 0.00 C ATOM 0 H ILE A 999 -5.634 13.096 -2.642 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.364 14.869 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.969 13.384 -4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -4.992 11.964 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.701 11.759 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.810 13.730 -7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -7.013 15.262 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -5.414 14.806 -6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -3.236 11.916 -6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -4.000 13.299 -6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -3.280 13.507 -5.214 1.00 0.00 H new ATOM 1330 N ASN A1000 -7.134 15.996 -3.073 1.00 0.00 N ATOM 1331 CA ASN A1000 -7.912 17.202 -2.847 1.00 0.00 C ATOM 1332 C ASN A1000 -7.064 18.214 -2.074 1.00 0.00 C ATOM 1333 O ASN A1000 -6.876 19.343 -2.523 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.163 16.903 -2.018 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.289 17.883 -2.352 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -10.312 18.510 -3.399 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.219 17.981 -1.407 1.00 0.00 N ATOM 0 H ASN A1000 -7.475 15.170 -2.581 1.00 0.00 H new ATOM 0 HA ASN A1000 -8.209 17.599 -3.818 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.495 15.883 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -8.924 16.966 -0.956 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -12.012 18.610 -1.535 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -11.139 17.428 -0.554 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.574 17.772 -0.925 1.00 0.00 N ATOM 1345 CA LYS A1001 -5.750 18.625 -0.086 1.00 0.00 C ATOM 1346 C LYS A1001 -4.806 19.443 -0.969 1.00 0.00 C ATOM 1347 O LYS A1001 -4.544 20.612 -0.688 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.030 17.795 0.979 1.00 0.00 C ATOM 1349 CG LYS A1001 -5.995 17.373 2.090 1.00 0.00 C ATOM 1350 CD LYS A1001 -5.988 18.387 3.235 1.00 0.00 C ATOM 1351 CE LYS A1001 -7.044 18.036 4.285 1.00 0.00 C ATOM 1352 NZ LYS A1001 -8.177 18.986 4.219 1.00 0.00 N ATOM 0 H LYS A1001 -6.732 16.834 -0.556 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.371 19.334 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -4.590 16.910 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.211 18.375 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -7.003 17.282 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -5.713 16.390 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -5.002 18.410 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -6.179 19.386 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -7.404 17.020 4.122 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -6.599 18.061 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -8.884 18.733 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -7.832 19.951 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -8.612 18.942 3.275 1.00 0.00 H new ATOM 1366 N MET A1002 -4.320 18.797 -2.019 1.00 0.00 N ATOM 1367 CA MET A1002 -3.411 19.451 -2.945 1.00 0.00 C ATOM 1368 C MET A1002 -4.163 20.416 -3.863 1.00 0.00 C ATOM 1369 O MET A1002 -3.740 21.555 -4.053 1.00 0.00 O ATOM 1370 CB MET A1002 -2.696 18.394 -3.790 1.00 0.00 C ATOM 1371 CG MET A1002 -1.886 19.046 -4.913 1.00 0.00 C ATOM 1372 SD MET A1002 -2.407 18.402 -6.494 1.00 0.00 S ATOM 1373 CE MET A1002 -3.581 19.660 -6.970 1.00 0.00 C ATOM 0 H MET A1002 -4.539 17.828 -2.249 1.00 0.00 H new ATOM 0 HA MET A1002 -2.683 20.022 -2.368 1.00 0.00 H new ATOM 0 HB2 MET A1002 -2.035 17.803 -3.156 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.428 17.708 -4.216 1.00 0.00 H new ATOM 0 HG2 MET A1002 -2.021 20.127 -4.889 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.823 18.854 -4.765 1.00 0.00 H new ATOM 0 HE1 MET A1002 -3.528 19.818 -8.047 1.00 0.00 H new ATOM 0 HE2 MET A1002 -4.587 19.340 -6.699 1.00 0.00 H new ATOM 0 HE3 MET A1002 -3.345 20.591 -6.455 1.00 0.00 H new ATOM 1383 N LYS A1003 -5.266 19.924 -4.409 1.00 0.00 N ATOM 1384 CA LYS A1003 -6.081 20.729 -5.303 1.00 0.00 C ATOM 1385 C LYS A1003 -6.437 22.048 -4.614 1.00 0.00 C ATOM 1386 O LYS A1003 -6.741 23.037 -5.278 1.00 0.00 O ATOM 1387 CB LYS A1003 -7.300 19.935 -5.777 1.00 0.00 C ATOM 1388 CG LYS A1003 -7.127 19.479 -7.228 1.00 0.00 C ATOM 1389 CD LYS A1003 -8.484 19.294 -7.910 1.00 0.00 C ATOM 1390 CE LYS A1003 -8.953 20.598 -8.559 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.333 20.367 -9.971 1.00 0.00 N ATOM 0 H LYS A1003 -5.614 18.979 -4.249 1.00 0.00 H new ATOM 0 HA LYS A1003 -5.522 20.981 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.446 19.067 -5.134 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -8.196 20.550 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.538 20.214 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -6.572 18.541 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.411 18.513 -8.666 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -9.221 18.962 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -9.804 21.000 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -8.159 21.343 -8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -9.649 21.262 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -8.512 20.005 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -10.106 19.672 -10.013 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.388 22.018 -3.290 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.701 23.199 -2.503 1.00 0.00 C ATOM 1407 C LEU A1004 -5.420 23.997 -2.256 1.00 0.00 C ATOM 1408 O LEU A1004 -5.393 25.211 -2.452 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.439 22.808 -1.221 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.597 21.822 -1.387 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -9.073 21.302 -0.029 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.737 22.447 -2.193 1.00 0.00 C ATOM 0 H LEU A1004 -6.136 21.195 -2.743 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.382 23.851 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.717 22.377 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.825 23.715 -0.756 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.236 20.963 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -9.897 20.603 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -8.251 20.794 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.411 22.138 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.547 21.726 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -10.104 23.334 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.373 22.728 -3.181 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.388 23.283 -1.830 1.00 0.00 N ATOM 1425 CA ALA A1005 -3.107 23.909 -1.555 1.00 0.00 C ATOM 1426 C ALA A1005 -2.709 24.791 -2.741 1.00 0.00 C ATOM 1427 O ALA A1005 -1.955 25.749 -2.581 1.00 0.00 O ATOM 1428 CB ALA A1005 -2.064 22.830 -1.256 1.00 0.00 C ATOM 0 H ALA A1005 -4.414 22.276 -1.669 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.175 24.550 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -1.103 23.300 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.378 22.251 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -1.967 22.169 -2.117 1.00 0.00 H new ATOM 1434 N GLN A1006 -3.235 24.435 -3.904 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.945 25.182 -5.116 1.00 0.00 C ATOM 1436 C GLN A1006 -3.562 26.579 -5.039 1.00 0.00 C ATOM 1437 O GLN A1006 -2.980 27.547 -5.527 1.00 0.00 O ATOM 1438 CB GLN A1006 -3.439 24.431 -6.354 1.00 0.00 C ATOM 1439 CG GLN A1006 -2.447 24.566 -7.511 1.00 0.00 C ATOM 1440 CD GLN A1006 -1.322 23.536 -7.391 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -1.547 22.351 -7.205 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -0.101 24.052 -7.507 1.00 0.00 N ATOM 0 H GLN A1006 -3.860 23.639 -4.032 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.864 25.289 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -3.580 23.377 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -4.411 24.821 -6.656 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -2.968 24.432 -8.459 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -2.026 25.571 -7.518 1.00 0.00 H new ATOM 0 HE21 GLN A1006 0.017 25.053 -7.662 1.00 0.00 H new ATOM 0 HE22 GLN A1006 0.717 23.446 -7.441 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.733 26.641 -4.422 1.00 0.00 N ATOM 1452 CA GLN A1007 -5.436 27.904 -4.275 1.00 0.00 C ATOM 1453 C GLN A1007 -5.118 28.534 -2.917 1.00 0.00 C ATOM 1454 O GLN A1007 -5.140 29.755 -2.775 1.00 0.00 O ATOM 1455 CB GLN A1007 -6.944 27.717 -4.453 1.00 0.00 C ATOM 1456 CG GLN A1007 -7.576 28.950 -5.102 1.00 0.00 C ATOM 1457 CD GLN A1007 -8.480 29.687 -4.113 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -9.696 29.679 -4.217 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -7.821 30.324 -3.149 1.00 0.00 N ATOM 0 H GLN A1007 -5.213 25.837 -4.018 1.00 0.00 H new ATOM 0 HA GLN A1007 -5.093 28.581 -5.057 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -7.135 26.839 -5.070 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -7.408 27.533 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -6.793 29.621 -5.455 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -8.155 28.649 -5.975 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -6.802 30.290 -3.120 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -8.335 30.846 -2.439 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.829 27.671 -1.954 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.507 28.127 -0.613 1.00 0.00 C ATOM 1470 C TYR A1008 -2.997 28.301 -0.441 1.00 0.00 C ATOM 1471 O TYR A1008 -2.455 28.031 0.630 1.00 0.00 O ATOM 1472 CB TYR A1008 -4.993 27.027 0.334 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.483 27.111 0.672 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.418 26.589 -0.199 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -6.891 27.707 1.847 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.820 26.667 0.119 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.294 27.785 2.165 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.189 27.262 1.286 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.513 27.336 1.586 1.00 0.00 O ATOM 0 H TYR A1008 -4.811 26.658 -2.076 1.00 0.00 H new ATOM 0 HA TYR A1008 -4.976 29.090 -0.412 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.787 26.056 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.418 27.077 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -7.098 26.122 -1.119 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.159 28.115 2.528 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -9.562 26.262 -0.553 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -8.627 28.249 3.082 1.00 0.00 H new ATOM 0 HH TYR A1008 -10.628 27.785 2.449 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.360 28.751 -1.511 1.00 0.00 N ATOM 1490 CA VAL A1009 -0.923 28.965 -1.492 1.00 0.00 C ATOM 1491 C VAL A1009 -0.620 30.404 -1.912 1.00 0.00 C ATOM 1492 O VAL A1009 0.226 31.065 -1.311 1.00 0.00 O ATOM 1493 CB VAL A1009 -0.227 27.926 -2.374 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.916 27.813 -3.736 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.259 28.251 -2.537 1.00 0.00 C ATOM 0 H VAL A1009 -2.813 28.974 -2.398 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.531 28.831 -0.484 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.306 26.959 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -0.402 27.068 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.954 27.512 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.884 28.778 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A1009 1.729 27.497 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A1009 1.368 29.232 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.740 28.256 -1.559 1.00 0.00 H new ATOM 1505 N MET A1010 -1.326 30.848 -2.941 1.00 0.00 N ATOM 1506 CA MET A1010 -1.143 32.197 -3.449 1.00 0.00 C ATOM 1507 C MET A1010 -1.654 33.234 -2.446 1.00 0.00 C ATOM 1508 O MET A1010 -2.525 34.040 -2.770 1.00 0.00 O ATOM 1509 CB MET A1010 -1.897 32.352 -4.772 1.00 0.00 C ATOM 1510 CG MET A1010 -3.366 31.956 -4.615 1.00 0.00 C ATOM 1511 SD MET A1010 -4.405 33.401 -4.745 1.00 0.00 S ATOM 1512 CE MET A1010 -5.138 33.403 -3.117 1.00 0.00 C ATOM 0 H MET A1010 -2.026 30.297 -3.437 1.00 0.00 H new ATOM 0 HA MET A1010 -0.077 32.364 -3.606 1.00 0.00 H new ATOM 0 HB2 MET A1010 -1.830 33.385 -5.114 1.00 0.00 H new ATOM 0 HB3 MET A1010 -1.429 31.732 -5.536 1.00 0.00 H new ATOM 0 HG2 MET A1010 -3.640 31.231 -5.382 1.00 0.00 H new ATOM 0 HG3 MET A1010 -3.520 31.473 -3.650 1.00 0.00 H new ATOM 0 HE1 MET A1010 -6.224 33.426 -3.207 1.00 0.00 H new ATOM 0 HE2 MET A1010 -4.838 32.502 -2.582 1.00 0.00 H new ATOM 0 HE3 MET A1010 -4.801 34.282 -2.567 1.00 0.00 H new ATOM 1522 N THR A1011 -1.091 33.179 -1.248 1.00 0.00 N ATOM 1523 CA THR A1011 -1.478 34.103 -0.196 1.00 0.00 C ATOM 1524 C THR A1011 -0.632 33.870 1.057 1.00 0.00 C ATOM 1525 O THR A1011 -0.040 34.805 1.593 1.00 0.00 O ATOM 1526 CB THR A1011 -2.980 33.941 0.046 1.00 0.00 C ATOM 1527 OG1 THR A1011 -3.148 34.275 1.421 1.00 0.00 O ATOM 1528 CG2 THR A1011 -3.433 32.483 -0.041 1.00 0.00 C ATOM 0 H THR A1011 -0.370 32.509 -0.983 1.00 0.00 H new ATOM 0 HA THR A1011 -1.291 35.136 -0.488 1.00 0.00 H new ATOM 0 HB THR A1011 -3.531 34.536 -0.682 1.00 0.00 H new ATOM 0 HG1 THR A1011 -4.095 34.198 1.663 1.00 0.00 H new ATOM 0 HG21 THR A1011 -4.507 32.424 0.138 1.00 0.00 H new ATOM 0 HG22 THR A1011 -3.209 32.091 -1.033 1.00 0.00 H new ATOM 0 HG23 THR A1011 -2.907 31.893 0.710 1.00 0.00 H new ATOM 1536 N SER A1012 -0.602 32.617 1.487 1.00 0.00 N ATOM 1537 CA SER A1012 0.162 32.249 2.667 1.00 0.00 C ATOM 1538 C SER A1012 -0.386 30.950 3.261 1.00 0.00 C ATOM 1539 O SER A1012 0.341 30.212 3.924 1.00 0.00 O ATOM 1540 CB SER A1012 0.132 33.366 3.713 1.00 0.00 C ATOM 1541 OG SER A1012 0.166 32.853 5.042 1.00 0.00 O ATOM 0 H SER A1012 -1.094 31.844 1.039 1.00 0.00 H new ATOM 0 HA SER A1012 1.199 32.095 2.369 1.00 0.00 H new ATOM 0 HB2 SER A1012 0.982 34.030 3.559 1.00 0.00 H new ATOM 0 HB3 SER A1012 -0.769 33.965 3.578 1.00 0.00 H new ATOM 0 HG SER A1012 0.147 33.596 5.680 1.00 0.00 H new ATOM 1547 N LEU A1013 -1.663 30.712 3.002 1.00 0.00 N ATOM 1548 CA LEU A1013 -2.317 29.515 3.503 1.00 0.00 C ATOM 1549 C LEU A1013 -1.399 28.310 3.291 1.00 0.00 C ATOM 1550 O LEU A1013 -1.466 27.334 4.036 1.00 0.00 O ATOM 1551 CB LEU A1013 -3.700 29.354 2.868 1.00 0.00 C ATOM 1552 CG LEU A1013 -4.790 30.294 3.387 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -5.547 29.663 4.557 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -4.207 31.661 3.752 1.00 0.00 C ATOM 0 H LEU A1013 -2.262 31.327 2.452 1.00 0.00 H new ATOM 0 HA LEU A1013 -2.492 29.598 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -3.603 29.501 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -4.031 28.327 3.021 1.00 0.00 H new ATOM 0 HG LEU A1013 -5.512 30.455 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -6.316 30.352 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -6.014 28.734 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -4.851 29.453 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -5.003 32.310 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -3.452 31.539 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -3.750 32.109 2.870 1.00 0.00 H new ATOM 1566 N GLN A1014 -0.561 28.418 2.270 1.00 0.00 N ATOM 1567 CA GLN A1014 0.370 27.349 1.950 1.00 0.00 C ATOM 1568 C GLN A1014 0.862 26.672 3.230 1.00 0.00 C ATOM 1569 O GLN A1014 0.364 25.611 3.606 1.00 0.00 O ATOM 1570 CB GLN A1014 1.545 27.875 1.122 1.00 0.00 C ATOM 1571 CG GLN A1014 2.622 26.802 0.955 1.00 0.00 C ATOM 1572 CD GLN A1014 3.864 27.138 1.784 1.00 0.00 C ATOM 1573 OE1 GLN A1014 4.109 26.575 2.838 1.00 0.00 O ATOM 1574 NE2 GLN A1014 4.631 28.083 1.249 1.00 0.00 N ATOM 0 H GLN A1014 -0.507 29.229 1.654 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.153 26.606 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.190 28.194 0.142 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.973 28.752 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.226 25.834 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.895 26.716 -0.097 1.00 0.00 H new ATOM 0 HE21 GLN A1014 4.367 28.513 0.363 1.00 0.00 H new ATOM 0 HE22 GLN A1014 5.484 28.378 1.725 1.00 0.00 H new ATOM 1583 N GLN A1015 1.832 27.312 3.865 1.00 0.00 N ATOM 1584 CA GLN A1015 2.396 26.784 5.096 1.00 0.00 C ATOM 1585 C GLN A1015 1.303 26.131 5.944 1.00 0.00 C ATOM 1586 O GLN A1015 1.549 25.132 6.618 1.00 0.00 O ATOM 1587 CB GLN A1015 3.119 27.879 5.882 1.00 0.00 C ATOM 1588 CG GLN A1015 2.243 29.127 6.015 1.00 0.00 C ATOM 1589 CD GLN A1015 2.089 29.536 7.481 1.00 0.00 C ATOM 1590 OE1 GLN A1015 2.732 29.004 8.372 1.00 0.00 O ATOM 1591 NE2 GLN A1015 1.203 30.507 7.682 1.00 0.00 N ATOM 0 H GLN A1015 2.242 28.191 3.551 1.00 0.00 H new ATOM 0 HA GLN A1015 3.132 26.022 4.838 1.00 0.00 H new ATOM 0 HB2 GLN A1015 3.382 27.508 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.052 28.137 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A1015 2.685 29.947 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A1015 1.261 28.934 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A1015 0.699 30.909 6.892 1.00 0.00 H new ATOM 0 HE22 GLN A1015 1.028 30.850 8.626 1.00 0.00 H new ATOM 1600 N GLU A1016 0.119 26.722 5.882 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.013 26.210 6.636 1.00 0.00 C ATOM 1602 C GLU A1016 -1.458 24.859 6.074 1.00 0.00 C ATOM 1603 O GLU A1016 -1.441 23.852 6.782 1.00 0.00 O ATOM 1604 CB GLU A1016 -2.170 27.212 6.635 1.00 0.00 C ATOM 1605 CG GLU A1016 -2.703 27.435 8.052 1.00 0.00 C ATOM 1606 CD GLU A1016 -3.531 28.719 8.130 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -2.901 29.795 8.224 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -4.774 28.596 8.095 1.00 0.00 O ATOM 0 H GLU A1016 -0.081 27.550 5.321 1.00 0.00 H new ATOM 0 HA GLU A1016 -0.701 26.066 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -1.834 28.160 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -2.972 26.846 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -3.315 26.584 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -1.870 27.492 8.753 1.00 0.00 H new ATOM 1615 N TYR A1017 -1.845 24.879 4.807 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.294 23.667 4.142 1.00 0.00 C ATOM 1617 C TYR A1017 -1.137 22.682 3.959 1.00 0.00 C ATOM 1618 O TYR A1017 -1.356 21.514 3.644 1.00 0.00 O ATOM 1619 CB TYR A1017 -2.799 24.104 2.766 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.300 24.397 2.718 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -4.842 25.358 3.546 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.111 23.700 1.846 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.255 25.633 3.501 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.524 23.975 1.800 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.026 24.928 2.630 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.360 25.189 2.587 1.00 0.00 O ATOM 0 H TYR A1017 -1.857 25.715 4.223 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.064 23.168 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.255 24.997 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.568 23.324 2.041 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.207 25.904 4.228 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.686 22.948 1.198 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -6.693 26.382 4.144 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.170 23.437 1.122 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.514 26.027 2.103 1.00 0.00 H new ATOM 1636 N LYS A1018 0.069 23.191 4.165 1.00 0.00 N ATOM 1637 CA LYS A1018 1.260 22.370 4.027 1.00 0.00 C ATOM 1638 C LYS A1018 1.295 21.335 5.152 1.00 0.00 C ATOM 1639 O LYS A1018 1.475 20.144 4.900 1.00 0.00 O ATOM 1640 CB LYS A1018 2.511 23.249 3.961 1.00 0.00 C ATOM 1641 CG LYS A1018 3.313 22.966 2.689 1.00 0.00 C ATOM 1642 CD LYS A1018 2.468 23.222 1.439 1.00 0.00 C ATOM 1643 CE LYS A1018 3.332 23.749 0.292 1.00 0.00 C ATOM 1644 NZ LYS A1018 2.536 23.852 -0.952 1.00 0.00 N ATOM 0 H LYS A1018 0.247 24.161 4.426 1.00 0.00 H new ATOM 0 HA LYS A1018 1.235 21.818 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.223 24.300 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A1018 3.134 23.067 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A1018 4.201 23.597 2.667 1.00 0.00 H new ATOM 0 HG3 LYS A1018 3.657 21.932 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.975 22.299 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A1018 1.682 23.942 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A1018 3.737 24.727 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A1018 4.181 23.084 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 3.138 24.211 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 2.170 22.913 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 1.740 24.504 -0.802 1.00 0.00 H new ATOM 1658 N LYS A1019 1.119 21.826 6.370 1.00 0.00 N ATOM 1659 CA LYS A1019 1.128 20.958 7.536 1.00 0.00 C ATOM 1660 C LYS A1019 -0.031 19.964 7.434 1.00 0.00 C ATOM 1661 O LYS A1019 0.123 18.790 7.769 1.00 0.00 O ATOM 1662 CB LYS A1019 1.116 21.787 8.821 1.00 0.00 C ATOM 1663 CG LYS A1019 2.539 22.034 9.328 1.00 0.00 C ATOM 1664 CD LYS A1019 3.243 23.099 8.485 1.00 0.00 C ATOM 1665 CE LYS A1019 4.260 22.463 7.535 1.00 0.00 C ATOM 1666 NZ LYS A1019 5.447 21.995 8.284 1.00 0.00 N ATOM 0 H LYS A1019 0.969 22.814 6.575 1.00 0.00 H new ATOM 0 HA LYS A1019 2.048 20.374 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A1019 0.621 22.741 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A1019 0.538 21.269 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A1019 2.508 22.352 10.370 1.00 0.00 H new ATOM 0 HG3 LYS A1019 3.107 21.104 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A1019 2.505 23.660 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.747 23.811 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.801 21.626 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A1019 4.562 23.187 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 6.234 21.836 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.722 22.714 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.220 21.106 8.773 1.00 0.00 H new ATOM 1680 N GLN A1020 -1.164 20.470 6.971 1.00 0.00 N ATOM 1681 CA GLN A1020 -2.348 19.641 6.822 1.00 0.00 C ATOM 1682 C GLN A1020 -2.043 18.435 5.931 1.00 0.00 C ATOM 1683 O GLN A1020 -2.293 17.294 6.317 1.00 0.00 O ATOM 1684 CB GLN A1020 -3.519 20.453 6.264 1.00 0.00 C ATOM 1685 CG GLN A1020 -3.824 21.659 7.154 1.00 0.00 C ATOM 1686 CD GLN A1020 -4.182 21.215 8.574 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -5.191 20.573 8.816 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -3.301 21.592 9.497 1.00 0.00 N ATOM 0 H GLN A1020 -1.288 21.444 6.694 1.00 0.00 H new ATOM 0 HA GLN A1020 -2.638 19.276 7.807 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.283 20.792 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -4.403 19.819 6.189 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -2.959 22.322 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -4.649 22.230 6.729 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -2.477 22.128 9.226 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -3.450 21.345 10.475 1.00 0.00 H new ATOM 1697 N MET A1021 -1.507 18.729 4.756 1.00 0.00 N ATOM 1698 CA MET A1021 -1.164 17.683 3.807 1.00 0.00 C ATOM 1699 C MET A1021 -0.390 16.554 4.490 1.00 0.00 C ATOM 1700 O MET A1021 -0.689 15.379 4.287 1.00 0.00 O ATOM 1701 CB MET A1021 -0.317 18.274 2.679 1.00 0.00 C ATOM 1702 CG MET A1021 -0.733 17.702 1.322 1.00 0.00 C ATOM 1703 SD MET A1021 0.613 16.770 0.613 1.00 0.00 S ATOM 1704 CE MET A1021 0.700 15.417 1.774 1.00 0.00 C ATOM 0 H MET A1021 -1.302 19.677 4.439 1.00 0.00 H new ATOM 0 HA MET A1021 -2.088 17.270 3.401 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.425 19.359 2.669 1.00 0.00 H new ATOM 0 HB3 MET A1021 0.736 18.060 2.860 1.00 0.00 H new ATOM 0 HG2 MET A1021 -1.607 17.061 1.441 1.00 0.00 H new ATOM 0 HG3 MET A1021 -1.020 18.511 0.650 1.00 0.00 H new ATOM 0 HE1 MET A1021 1.236 14.583 1.321 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.226 15.741 2.672 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.309 15.099 2.039 1.00 0.00 H new ATOM 1714 N LEU A1022 0.591 16.952 5.287 1.00 0.00 N ATOM 1715 CA LEU A1022 1.411 15.988 6.002 1.00 0.00 C ATOM 1716 C LEU A1022 0.506 15.041 6.792 1.00 0.00 C ATOM 1717 O LEU A1022 0.603 13.823 6.651 1.00 0.00 O ATOM 1718 CB LEU A1022 2.452 16.706 6.864 1.00 0.00 C ATOM 1719 CG LEU A1022 3.366 15.806 7.699 1.00 0.00 C ATOM 1720 CD1 LEU A1022 2.565 15.038 8.753 1.00 0.00 C ATOM 1721 CD2 LEU A1022 4.181 14.871 6.804 1.00 0.00 C ATOM 0 H LEU A1022 0.836 17.928 5.453 1.00 0.00 H new ATOM 0 HA LEU A1022 1.978 15.376 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A1022 3.075 17.318 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.931 17.386 7.538 1.00 0.00 H new ATOM 0 HG LEU A1022 4.075 16.439 8.232 1.00 0.00 H new ATOM 0 HD11 LEU A1022 3.238 14.406 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A1022 2.068 15.744 9.418 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.818 14.416 8.260 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.822 14.243 7.422 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.506 14.241 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.797 15.462 6.126 1.00 0.00 H new ATOM 1733 N THR A1023 -0.354 15.636 7.606 1.00 0.00 N ATOM 1734 CA THR A1023 -1.276 14.861 8.418 1.00 0.00 C ATOM 1735 C THR A1023 -1.792 13.653 7.633 1.00 0.00 C ATOM 1736 O THR A1023 -1.745 12.525 8.120 1.00 0.00 O ATOM 1737 CB THR A1023 -2.388 15.797 8.894 1.00 0.00 C ATOM 1738 OG1 THR A1023 -1.706 16.998 9.244 1.00 0.00 O ATOM 1739 CG2 THR A1023 -3.022 15.332 10.207 1.00 0.00 C ATOM 0 H THR A1023 -0.431 16.647 7.720 1.00 0.00 H new ATOM 0 HA THR A1023 -0.780 14.450 9.297 1.00 0.00 H new ATOM 0 HB THR A1023 -3.157 15.868 8.124 1.00 0.00 H new ATOM 0 HG1 THR A1023 -2.354 17.661 9.562 1.00 0.00 H new ATOM 0 HG21 THR A1023 -3.805 16.031 10.501 1.00 0.00 H new ATOM 0 HG22 THR A1023 -3.453 14.340 10.072 1.00 0.00 H new ATOM 0 HG23 THR A1023 -2.260 15.293 10.985 1.00 0.00 H new ATOM 1747 N ALA A1024 -2.273 13.932 6.430 1.00 0.00 N ATOM 1748 CA ALA A1024 -2.798 12.882 5.573 1.00 0.00 C ATOM 1749 C ALA A1024 -1.697 11.856 5.298 1.00 0.00 C ATOM 1750 O ALA A1024 -1.890 10.660 5.512 1.00 0.00 O ATOM 1751 CB ALA A1024 -3.351 13.502 4.288 1.00 0.00 C ATOM 0 H ALA A1024 -2.310 14.869 6.029 1.00 0.00 H new ATOM 0 HA ALA A1024 -3.620 12.360 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -3.745 12.715 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -4.149 14.202 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -2.553 14.031 3.767 1.00 0.00 H new ATOM 1757 N ALA A1025 -0.566 12.361 4.827 1.00 0.00 N ATOM 1758 CA ALA A1025 0.566 11.503 4.520 1.00 0.00 C ATOM 1759 C ALA A1025 0.807 10.547 5.690 1.00 0.00 C ATOM 1760 O ALA A1025 1.346 9.457 5.504 1.00 0.00 O ATOM 1761 CB ALA A1025 1.791 12.365 4.210 1.00 0.00 C ATOM 0 H ALA A1025 -0.409 13.353 4.651 1.00 0.00 H new ATOM 0 HA ALA A1025 0.361 10.898 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A1025 2.640 11.721 3.980 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.578 13.005 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A1025 2.029 12.984 5.075 1.00 0.00 H new ATOM 1767 N HIS A1026 0.397 10.990 6.869 1.00 0.00 N ATOM 1768 CA HIS A1026 0.561 10.187 8.069 1.00 0.00 C ATOM 1769 C HIS A1026 -0.350 8.960 7.994 1.00 0.00 C ATOM 1770 O HIS A1026 0.121 7.826 8.073 1.00 0.00 O ATOM 1771 CB HIS A1026 0.321 11.029 9.323 1.00 0.00 C ATOM 1772 CG HIS A1026 0.960 10.468 10.571 1.00 0.00 C ATOM 1773 ND1 HIS A1026 2.196 10.885 11.033 1.00 0.00 N ATOM 1774 CD2 HIS A1026 0.521 9.520 11.448 1.00 0.00 C ATOM 1775 CE1 HIS A1026 2.479 10.211 12.138 1.00 0.00 C ATOM 1776 NE2 HIS A1026 1.440 9.365 12.394 1.00 0.00 N ATOM 0 H HIS A1026 -0.049 11.895 7.019 1.00 0.00 H new ATOM 0 HA HIS A1026 1.589 9.829 8.134 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.704 12.035 9.152 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.753 11.121 9.487 1.00 0.00 H new ATOM 0 HD2 HIS A1026 -0.415 8.986 11.384 1.00 0.00 H new ATOM 0 HE1 HIS A1026 3.375 10.313 12.732 1.00 0.00 H new ATOM 0 HE2 HIS A1026 1.379 8.720 13.182 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.639 9.228 7.843 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.620 8.160 7.757 1.00 0.00 C ATOM 1786 C ALA A1027 -2.471 7.444 6.414 1.00 0.00 C ATOM 1787 O ALA A1027 -2.669 6.233 6.327 1.00 0.00 O ATOM 1788 CB ALA A1027 -4.023 8.739 7.958 1.00 0.00 C ATOM 0 H ALA A1027 -2.026 10.169 7.778 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.456 7.423 8.543 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.760 7.938 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -4.085 9.211 8.939 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -4.225 9.481 7.185 1.00 0.00 H new ATOM 1794 N LEU A1028 -2.124 8.222 5.400 1.00 0.00 N ATOM 1795 CA LEU A1028 -1.946 7.677 4.065 1.00 0.00 C ATOM 1796 C LEU A1028 -0.822 6.639 4.088 1.00 0.00 C ATOM 1797 O LEU A1028 -1.055 5.461 3.821 1.00 0.00 O ATOM 1798 CB LEU A1028 -1.724 8.801 3.051 1.00 0.00 C ATOM 1799 CG LEU A1028 -2.987 9.419 2.447 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -3.451 8.630 1.222 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -4.091 9.547 3.499 1.00 0.00 C ATOM 0 H LEU A1028 -1.961 9.226 5.476 1.00 0.00 H new ATOM 0 HA LEU A1028 -2.850 7.162 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -1.152 9.593 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -1.109 8.414 2.239 1.00 0.00 H new ATOM 0 HG LEU A1028 -2.747 10.427 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -4.350 9.090 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -2.665 8.634 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -3.669 7.602 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -4.978 9.989 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -4.337 8.560 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -3.745 10.184 4.313 1.00 0.00 H new ATOM 1813 N ALA A1029 0.372 7.114 4.409 1.00 0.00 N ATOM 1814 CA ALA A1029 1.533 6.242 4.471 1.00 0.00 C ATOM 1815 C ALA A1029 1.145 4.932 5.159 1.00 0.00 C ATOM 1816 O ALA A1029 1.562 3.856 4.733 1.00 0.00 O ATOM 1817 CB ALA A1029 2.675 6.963 5.190 1.00 0.00 C ATOM 0 H ALA A1029 0.561 8.092 4.629 1.00 0.00 H new ATOM 0 HA ALA A1029 1.883 5.996 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.546 6.309 5.237 1.00 0.00 H new ATOM 0 HB2 ALA A1029 2.932 7.871 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.362 7.223 6.201 1.00 0.00 H new ATOM 1823 N VAL A1030 0.351 5.065 6.211 1.00 0.00 N ATOM 1824 CA VAL A1030 -0.098 3.905 6.962 1.00 0.00 C ATOM 1825 C VAL A1030 -1.145 3.148 6.144 1.00 0.00 C ATOM 1826 O VAL A1030 -1.028 1.939 5.947 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.611 4.339 8.337 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.608 3.321 8.895 1.00 0.00 C ATOM 1829 CG2 VAL A1030 0.548 4.562 9.310 1.00 0.00 C ATOM 0 H VAL A1030 0.007 5.959 6.561 1.00 0.00 H new ATOM 0 HA VAL A1030 0.731 3.220 7.141 1.00 0.00 H new ATOM 0 HB VAL A1030 -1.133 5.288 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -1.958 3.652 9.873 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -2.457 3.233 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -1.121 2.351 8.994 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.155 4.870 10.279 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.111 3.636 9.424 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.205 5.340 8.921 1.00 0.00 H new ATOM 1839 N ASP A1031 -2.145 3.889 5.690 1.00 0.00 N ATOM 1840 CA ASP A1031 -3.212 3.302 4.898 1.00 0.00 C ATOM 1841 C ASP A1031 -2.617 2.291 3.917 1.00 0.00 C ATOM 1842 O ASP A1031 -3.019 1.129 3.896 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.948 4.371 4.088 1.00 0.00 C ATOM 1844 CG ASP A1031 -4.551 3.881 2.769 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -5.192 2.808 2.802 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -4.358 4.591 1.759 1.00 0.00 O ATOM 0 H ASP A1031 -2.239 4.891 5.856 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.913 2.820 5.580 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -4.746 4.786 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -3.255 5.184 3.873 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.667 2.770 3.127 1.00 0.00 N ATOM 1852 CA ALA A1032 -1.011 1.922 2.146 1.00 0.00 C ATOM 1853 C ALA A1032 -0.419 0.699 2.849 1.00 0.00 C ATOM 1854 O ALA A1032 -0.508 -0.417 2.340 1.00 0.00 O ATOM 1855 CB ALA A1032 0.048 2.734 1.396 1.00 0.00 C ATOM 0 H ALA A1032 -1.336 3.735 3.146 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.729 1.562 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A1032 0.540 2.098 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.428 3.573 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.787 3.109 2.104 1.00 0.00 H new ATOM 1861 N LYS A1033 0.172 0.951 4.007 1.00 0.00 N ATOM 1862 CA LYS A1033 0.779 -0.116 4.785 1.00 0.00 C ATOM 1863 C LYS A1033 -0.304 -1.107 5.215 1.00 0.00 C ATOM 1864 O LYS A1033 -0.120 -2.319 5.107 1.00 0.00 O ATOM 1865 CB LYS A1033 1.581 0.462 5.953 1.00 0.00 C ATOM 1866 CG LYS A1033 2.839 1.177 5.454 1.00 0.00 C ATOM 1867 CD LYS A1033 3.960 0.176 5.167 1.00 0.00 C ATOM 1868 CE LYS A1033 5.319 0.877 5.113 1.00 0.00 C ATOM 1869 NZ LYS A1033 6.342 0.080 5.826 1.00 0.00 N ATOM 0 H LYS A1033 0.244 1.878 4.426 1.00 0.00 H new ATOM 0 HA LYS A1033 1.496 -0.669 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A1033 0.960 1.160 6.515 1.00 0.00 H new ATOM 0 HB3 LYS A1033 1.861 -0.338 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.608 1.739 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.172 1.898 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.973 -0.592 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.769 -0.328 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.620 1.021 4.075 1.00 0.00 H new ATOM 0 HE3 LYS A1033 5.242 1.867 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 7.258 0.570 5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 6.061 -0.035 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 6.427 -0.855 5.379 1.00 0.00 H new ATOM 1883 N ASN A1034 -1.410 -0.556 5.692 1.00 0.00 N ATOM 1884 CA ASN A1034 -2.523 -1.377 6.138 1.00 0.00 C ATOM 1885 C ASN A1034 -2.963 -2.296 4.996 1.00 0.00 C ATOM 1886 O ASN A1034 -3.492 -3.380 5.236 1.00 0.00 O ATOM 1887 CB ASN A1034 -3.720 -0.513 6.537 1.00 0.00 C ATOM 1888 CG ASN A1034 -4.538 -1.185 7.642 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -4.096 -2.112 8.301 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -5.752 -0.667 7.808 1.00 0.00 N ATOM 0 H ASN A1034 -1.560 0.449 5.780 1.00 0.00 H new ATOM 0 HA ASN A1034 -2.191 -1.954 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -3.372 0.461 6.879 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -4.353 -0.338 5.667 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -6.375 -1.046 8.521 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -6.060 0.109 7.222 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.729 -1.828 3.779 1.00 0.00 N ATOM 1898 CA LEU A1035 -3.095 -2.593 2.600 1.00 0.00 C ATOM 1899 C LEU A1035 -2.293 -3.896 2.574 1.00 0.00 C ATOM 1900 O LEU A1035 -2.867 -4.983 2.626 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.930 -1.745 1.337 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.701 -2.220 0.104 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -4.462 -1.063 -0.546 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.770 -2.922 -0.887 1.00 0.00 C ATOM 0 H LEU A1035 -2.290 -0.928 3.584 1.00 0.00 H new ATOM 0 HA LEU A1035 -4.149 -2.867 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -3.241 -0.725 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.870 -1.706 1.085 1.00 0.00 H new ATOM 0 HG LEU A1035 -4.442 -2.952 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -5.001 -1.428 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -5.170 -0.646 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -3.757 -0.290 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -3.343 -3.250 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.991 -2.230 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -2.312 -3.787 -0.406 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.980 -3.744 2.494 1.00 0.00 N ATOM 1917 CA LEU A1036 -0.093 -4.895 2.460 1.00 0.00 C ATOM 1918 C LEU A1036 -0.160 -5.624 3.804 1.00 0.00 C ATOM 1919 O LEU A1036 -0.122 -6.852 3.850 1.00 0.00 O ATOM 1920 CB LEU A1036 1.321 -4.470 2.061 1.00 0.00 C ATOM 1921 CG LEU A1036 2.084 -5.443 1.159 1.00 0.00 C ATOM 1922 CD1 LEU A1036 2.117 -4.940 -0.286 1.00 0.00 C ATOM 1923 CD2 LEU A1036 3.488 -5.711 1.705 1.00 0.00 C ATOM 0 H LEU A1036 -0.508 -2.841 2.452 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.416 -5.603 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.260 -3.507 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A1036 1.903 -4.316 2.970 1.00 0.00 H new ATOM 0 HG LEU A1036 1.553 -6.395 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A1036 2.665 -5.650 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A1036 1.098 -4.842 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A1036 2.611 -3.969 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.008 -6.405 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A1036 4.043 -4.774 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A1036 3.414 -6.144 2.702 1.00 0.00 H new ATOM 1935 N ASP A1037 -0.260 -4.835 4.864 1.00 0.00 N ATOM 1936 CA ASP A1037 -0.333 -5.390 6.205 1.00 0.00 C ATOM 1937 C ASP A1037 -1.215 -6.640 6.188 1.00 0.00 C ATOM 1938 O ASP A1037 -0.744 -7.741 6.469 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.950 -4.389 7.183 1.00 0.00 C ATOM 1940 CG ASP A1037 -0.732 -4.711 8.663 1.00 0.00 C ATOM 1941 OD1 ASP A1037 0.430 -4.584 9.106 1.00 0.00 O ATOM 1942 OD2 ASP A1037 -1.732 -5.077 9.317 1.00 0.00 O ATOM 0 H ASP A1037 -0.292 -3.816 4.821 1.00 0.00 H new ATOM 0 HA ASP A1037 0.681 -5.629 6.526 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -0.537 -3.401 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -2.022 -4.332 6.993 1.00 0.00 H new ATOM 1947 N VAL A1038 -2.480 -6.428 5.855 1.00 0.00 N ATOM 1948 CA VAL A1038 -3.433 -7.524 5.797 1.00 0.00 C ATOM 1949 C VAL A1038 -2.875 -8.632 4.901 1.00 0.00 C ATOM 1950 O VAL A1038 -2.995 -9.813 5.222 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.796 -7.008 5.332 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -4.661 -6.178 4.054 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -5.781 -8.162 5.136 1.00 0.00 C ATOM 0 H VAL A1038 -2.867 -5.513 5.623 1.00 0.00 H new ATOM 0 HA VAL A1038 -3.584 -7.952 6.788 1.00 0.00 H new ATOM 0 HB VAL A1038 -5.193 -6.358 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -5.644 -5.823 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.010 -5.324 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -4.233 -6.794 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -6.742 -7.768 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -5.392 -8.848 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -5.912 -8.693 6.079 1.00 0.00 H new ATOM 1963 N ILE A1039 -2.279 -8.211 3.795 1.00 0.00 N ATOM 1964 CA ILE A1039 -1.703 -9.152 2.851 1.00 0.00 C ATOM 1965 C ILE A1039 -0.623 -9.977 3.554 1.00 0.00 C ATOM 1966 O ILE A1039 -0.608 -11.203 3.451 1.00 0.00 O ATOM 1967 CB ILE A1039 -1.204 -8.422 1.603 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -2.311 -8.309 0.553 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.052 -9.091 1.041 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.894 -7.379 -0.587 1.00 0.00 C ATOM 0 H ILE A1039 -2.183 -7.230 3.532 1.00 0.00 H new ATOM 0 HA ILE A1039 -2.462 -9.852 2.500 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.928 -7.407 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -2.541 -9.297 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -3.222 -7.933 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.386 -8.552 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A1039 0.840 -9.075 1.793 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.174 -10.123 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -2.699 -7.317 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -1.688 -6.385 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.997 -7.771 -1.067 1.00 0.00 H new ATOM 1982 N ASP A1040 0.255 -9.272 4.252 1.00 0.00 N ATOM 1983 CA ASP A1040 1.336 -9.924 4.972 1.00 0.00 C ATOM 1984 C ASP A1040 0.764 -11.060 5.822 1.00 0.00 C ATOM 1985 O ASP A1040 1.339 -12.146 5.882 1.00 0.00 O ATOM 1986 CB ASP A1040 2.044 -8.943 5.908 1.00 0.00 C ATOM 1987 CG ASP A1040 3.571 -8.945 5.811 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.074 -9.439 4.779 1.00 0.00 O ATOM 1989 OD2 ASP A1040 4.201 -8.453 6.772 1.00 0.00 O ATOM 0 H ASP A1040 0.240 -8.255 4.334 1.00 0.00 H new ATOM 0 HA ASP A1040 2.049 -10.302 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A1040 1.683 -7.937 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A1040 1.760 -9.174 6.935 1.00 0.00 H new ATOM 1994 N GLN A1041 -0.361 -10.771 6.459 1.00 0.00 N ATOM 1995 CA GLN A1041 -1.017 -11.755 7.304 1.00 0.00 C ATOM 1996 C GLN A1041 -1.473 -12.952 6.468 1.00 0.00 C ATOM 1997 O GLN A1041 -1.615 -14.058 6.988 1.00 0.00 O ATOM 1998 CB GLN A1041 -2.194 -11.132 8.058 1.00 0.00 C ATOM 1999 CG GLN A1041 -1.753 -10.609 9.427 1.00 0.00 C ATOM 2000 CD GLN A1041 -1.101 -9.230 9.303 1.00 0.00 C ATOM 2001 OE1 GLN A1041 0.076 -9.095 9.013 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -1.931 -8.217 9.538 1.00 0.00 N ATOM 0 H GLN A1041 -0.835 -9.869 6.407 1.00 0.00 H new ATOM 0 HA GLN A1041 -0.299 -12.107 8.045 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -2.615 -10.316 7.471 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -2.983 -11.874 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -2.614 -10.549 10.092 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.049 -11.309 9.878 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -2.906 -8.401 9.776 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -1.593 -7.256 9.480 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.689 -12.691 5.187 1.00 0.00 N ATOM 2012 CA ALA A1042 -2.126 -13.734 4.275 1.00 0.00 C ATOM 2013 C ALA A1042 -0.932 -14.616 3.905 1.00 0.00 C ATOM 2014 O ALA A1042 -0.972 -15.831 4.093 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.782 -13.097 3.048 1.00 0.00 C ATOM 0 H ALA A1042 -1.570 -11.773 4.759 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.872 -14.371 4.750 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.110 -13.879 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.642 -12.505 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -2.062 -12.452 2.544 1.00 0.00 H new ATOM 2021 N ARG A1043 0.102 -13.970 3.387 1.00 0.00 N ATOM 2022 CA ARG A1043 1.306 -14.681 2.990 1.00 0.00 C ATOM 2023 C ARG A1043 1.597 -15.820 3.969 1.00 0.00 C ATOM 2024 O ARG A1043 1.685 -16.980 3.569 1.00 0.00 O ATOM 2025 CB ARG A1043 2.510 -13.739 2.941 1.00 0.00 C ATOM 2026 CG ARG A1043 3.486 -14.154 1.838 1.00 0.00 C ATOM 2027 CD ARG A1043 4.257 -12.945 1.304 1.00 0.00 C ATOM 2028 NE ARG A1043 5.691 -13.066 1.650 1.00 0.00 N ATOM 2029 CZ ARG A1043 6.214 -12.696 2.826 1.00 0.00 C ATOM 2030 NH1 ARG A1043 5.425 -12.180 3.778 1.00 0.00 N ATOM 2031 NH2 ARG A1043 7.527 -12.843 3.052 1.00 0.00 N ATOM 0 H ARG A1043 0.131 -12.962 3.233 1.00 0.00 H new ATOM 0 HA ARG A1043 1.137 -15.089 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.171 -12.718 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A1043 3.020 -13.745 3.904 1.00 0.00 H new ATOM 0 HG2 ARG A1043 4.186 -14.894 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A1043 2.939 -14.630 1.024 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.140 -12.877 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A1043 3.849 -12.027 1.727 1.00 0.00 H new ATOM 0 HE ARG A1043 6.321 -13.456 0.948 1.00 0.00 H new ATOM 0 HH11 ARG A1043 4.426 -12.069 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A1043 5.824 -11.898 4.674 1.00 0.00 H new ATOM 0 HH21 ARG A1043 8.128 -13.237 2.328 1.00 0.00 H new ATOM 0 HH22 ARG A1043 7.925 -12.561 3.948 1.00 0.00 H new ATOM 2045 N LEU A1044 1.739 -15.449 5.233 1.00 0.00 N ATOM 2046 CA LEU A1044 2.018 -16.426 6.272 1.00 0.00 C ATOM 2047 C LEU A1044 0.978 -17.546 6.207 1.00 0.00 C ATOM 2048 O LEU A1044 1.329 -18.725 6.219 1.00 0.00 O ATOM 2049 CB LEU A1044 2.102 -15.744 7.640 1.00 0.00 C ATOM 2050 CG LEU A1044 0.976 -14.761 7.969 1.00 0.00 C ATOM 2051 CD1 LEU A1044 -0.124 -15.442 8.785 1.00 0.00 C ATOM 2052 CD2 LEU A1044 1.523 -13.516 8.671 1.00 0.00 C ATOM 0 H LEU A1044 1.666 -14.486 5.561 1.00 0.00 H new ATOM 0 HA LEU A1044 2.993 -16.886 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.119 -16.517 8.409 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.051 -15.212 7.701 1.00 0.00 H new ATOM 0 HG LEU A1044 0.526 -14.431 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.912 -14.722 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.540 -16.272 8.214 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.295 -15.818 9.718 1.00 0.00 H new ATOM 0 HD21 LEU A1044 0.703 -12.834 8.894 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.014 -13.808 9.599 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.242 -13.018 8.021 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.281 -17.138 6.140 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.374 -18.092 6.072 1.00 0.00 C ATOM 2066 C LYS A1045 -0.976 -19.253 5.158 1.00 0.00 C ATOM 2067 O LYS A1045 -1.423 -20.383 5.353 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.669 -17.395 5.653 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.887 -18.269 5.959 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.461 -18.877 4.678 1.00 0.00 C ATOM 2071 CE LYS A1045 -5.811 -19.547 4.946 1.00 0.00 C ATOM 2072 NZ LYS A1045 -5.620 -20.834 5.652 1.00 0.00 N ATOM 0 H LYS A1045 -0.568 -16.159 6.131 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.572 -18.515 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.759 -16.443 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -2.637 -17.171 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -3.604 -19.065 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -4.651 -17.672 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -4.580 -18.099 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -3.762 -19.609 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -6.439 -18.887 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.333 -19.716 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -6.546 -21.275 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -5.039 -21.468 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -5.141 -20.664 6.560 1.00 0.00 H new ATOM 2086 N MET A1046 -0.142 -18.934 4.180 1.00 0.00 N ATOM 2087 CA MET A1046 0.321 -19.937 3.235 1.00 0.00 C ATOM 2088 C MET A1046 1.619 -20.587 3.717 1.00 0.00 C ATOM 2089 O MET A1046 1.718 -21.811 3.782 1.00 0.00 O ATOM 2090 CB MET A1046 0.552 -19.284 1.870 1.00 0.00 C ATOM 2091 CG MET A1046 1.643 -20.019 1.089 1.00 0.00 C ATOM 2092 SD MET A1046 1.774 -19.344 -0.558 1.00 0.00 S ATOM 2093 CE MET A1046 2.466 -17.742 -0.183 1.00 0.00 C ATOM 0 H MET A1046 0.225 -17.996 4.021 1.00 0.00 H new ATOM 0 HA MET A1046 -0.442 -20.711 3.153 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.376 -19.290 1.298 1.00 0.00 H new ATOM 0 HB3 MET A1046 0.837 -18.241 2.005 1.00 0.00 H new ATOM 0 HG2 MET A1046 2.598 -19.925 1.606 1.00 0.00 H new ATOM 0 HG3 MET A1046 1.411 -21.083 1.038 1.00 0.00 H new ATOM 0 HE1 MET A1046 2.921 -17.323 -1.080 1.00 0.00 H new ATOM 0 HE2 MET A1046 1.676 -17.077 0.167 1.00 0.00 H new ATOM 0 HE3 MET A1046 3.224 -17.846 0.594 1.00 0.00 H new ATOM 2103 N ILE A1047 2.583 -19.738 4.043 1.00 0.00 N ATOM 2104 CA ILE A1047 3.871 -20.215 4.517 1.00 0.00 C ATOM 2105 C ILE A1047 3.655 -21.183 5.681 1.00 0.00 C ATOM 2106 O ILE A1047 4.197 -22.287 5.685 1.00 0.00 O ATOM 2107 CB ILE A1047 4.786 -19.037 4.859 1.00 0.00 C ATOM 2108 CG1 ILE A1047 5.366 -18.407 3.591 1.00 0.00 C ATOM 2109 CG2 ILE A1047 5.880 -19.459 5.841 1.00 0.00 C ATOM 2110 CD1 ILE A1047 5.112 -16.898 3.562 1.00 0.00 C ATOM 0 H ILE A1047 2.498 -18.723 3.988 1.00 0.00 H new ATOM 0 HA ILE A1047 4.384 -20.770 3.731 1.00 0.00 H new ATOM 0 HB ILE A1047 4.187 -18.272 5.354 1.00 0.00 H new ATOM 0 HG12 ILE A1047 6.438 -18.600 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A1047 4.918 -18.872 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A1047 6.516 -18.603 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A1047 5.422 -19.824 6.761 1.00 0.00 H new ATOM 0 HG23 ILE A1047 6.482 -20.251 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.534 -16.475 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A1047 4.039 -16.709 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A1047 5.582 -16.433 4.429 1.00 0.00 H new