USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=26 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: A1011 THR OG1 : rot 180:sc= -0.136 USER MOD Set 1.2: A1012 SER OG : rot 180:sc= -0.0818 USER MOD Set 2.1: A 939 MET CE :methyl 167:sc= -1.89 (180deg=-2.47!) USER MOD Set 2.2: A1021 MET CE :methyl -157:sc= -1.56 (180deg=-4.07!) USER MOD Single : A 922 ASN :FLIP amide:sc= 0.333 F(o=-2.3!,f=0.33) USER MOD Single : A 924 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 926 TYR OH : rot -170:sc= -0.726! USER MOD Single : A 928 ASN : amide:sc= -3.34! C(o=-3.3!,f=-7.2!) USER MOD Single : A 930 THR OG1 : rot 180:sc= 0 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -59:sc= 0.316 USER MOD Single : A 941 SER OG : rot 180:sc= 0 USER MOD Single : A 942 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 944 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.3!) USER MOD Single : A 951 TYR OH : rot 130:sc= 0 USER MOD Single : A 954 MET CE :methyl -152:sc= -1.61 (180deg=-4.38!) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 84:sc= 0.777 USER MOD Single : A 972 SER OG : rot -131:sc= -4.9! USER MOD Single : A 979 SER OG : rot 170:sc= -0.562 USER MOD Single : A 980 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 981 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.9!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.94) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 MET CE :methyl -118:sc= -4.67! (180deg=-7.61!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -2.24 K(o=-2.2,f=-3.5!) USER MOD Single : A1007 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl -109:sc= -1.55 (180deg=-5.28!) USER MOD Single : A1014 GLN :FLIP amide:sc= -0.247 F(o=-2!,f=-0.25) USER MOD Single : A1015 GLN : amide:sc=-0.00639 X(o=-0.0064,f=0) USER MOD Single : A1017 TYR OH : rot 57:sc= -1.06! USER MOD Single : A1018 LYS NZ :NH3+ -113:sc= -2.11! (180deg=-8!) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.4) USER MOD Single : A1023 THR OG1 : rot -170:sc= 0.112 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ -172:sc= -0.0359 (180deg=-0.144) USER MOD Single : A1034 ASN : amide:sc= -0.0613 K(o=-0.061,f=-2!) USER MOD Single : A1041 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl 159:sc= -0.163 (180deg=-0.886) USER MOD ----------------------------------------------------------------- ATOM 107 N ASN A 922 6.612 -10.703 -6.002 1.00 0.00 N ATOM 108 CA ASN A 922 5.978 -10.042 -4.874 1.00 0.00 C ATOM 109 C ASN A 922 6.736 -8.752 -4.553 1.00 0.00 C ATOM 110 O ASN A 922 6.209 -7.870 -3.877 1.00 0.00 O ATOM 111 CB ASN A 922 6.007 -10.929 -3.629 1.00 0.00 C ATOM 112 CG ASN A 922 5.581 -12.360 -3.965 1.00 0.00 C ATOM 113 OD1 ASN A 922 4.925 -12.974 -2.984 1.00 0.00 O flip ATOM 114 ND2 ASN A 922 5.831 -12.872 -5.043 1.00 0.00 N flip ATOM 0 HA ASN A 922 4.943 -9.833 -5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 922 7.011 -10.935 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 922 5.343 -10.517 -2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 922 6.339 -12.344 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 922 5.532 -13.828 -5.235 1.00 0.00 H new ATOM 121 N ASP A 923 7.961 -8.683 -5.053 1.00 0.00 N ATOM 122 CA ASP A 923 8.797 -7.516 -4.827 1.00 0.00 C ATOM 123 C ASP A 923 8.295 -6.359 -5.694 1.00 0.00 C ATOM 124 O ASP A 923 8.264 -5.213 -5.249 1.00 0.00 O ATOM 125 CB ASP A 923 10.251 -7.797 -5.210 1.00 0.00 C ATOM 126 CG ASP A 923 11.256 -6.738 -4.753 1.00 0.00 C ATOM 127 OD1 ASP A 923 10.889 -5.960 -3.846 1.00 0.00 O ATOM 128 OD2 ASP A 923 12.370 -6.731 -5.320 1.00 0.00 O ATOM 0 H ASP A 923 8.395 -9.416 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 923 8.745 -7.265 -3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 923 10.543 -8.759 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 923 10.314 -7.892 -6.294 1.00 0.00 H new ATOM 133 N LYS A 924 7.914 -6.700 -6.917 1.00 0.00 N ATOM 134 CA LYS A 924 7.415 -5.705 -7.850 1.00 0.00 C ATOM 135 C LYS A 924 6.179 -5.028 -7.254 1.00 0.00 C ATOM 136 O LYS A 924 6.041 -3.807 -7.323 1.00 0.00 O ATOM 137 CB LYS A 924 7.170 -6.333 -9.223 1.00 0.00 C ATOM 138 CG LYS A 924 6.502 -5.335 -10.171 1.00 0.00 C ATOM 139 CD LYS A 924 7.462 -4.906 -11.282 1.00 0.00 C ATOM 140 CE LYS A 924 6.793 -5.005 -12.654 1.00 0.00 C ATOM 141 NZ LYS A 924 7.812 -5.136 -13.720 1.00 0.00 N ATOM 0 H LYS A 924 7.941 -7.652 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 924 8.160 -4.926 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 924 8.116 -6.667 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 924 6.540 -7.216 -9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 924 5.611 -5.785 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 924 6.174 -4.459 -9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 924 7.791 -3.882 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 924 8.352 -5.535 -11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 924 6.122 -5.864 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 924 6.183 -4.119 -12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 7.341 -5.202 -14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 8.436 -4.304 -13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 8.376 -5.994 -13.557 1.00 0.00 H new ATOM 155 N VAL A 925 5.311 -5.850 -6.683 1.00 0.00 N ATOM 156 CA VAL A 925 4.091 -5.346 -6.075 1.00 0.00 C ATOM 157 C VAL A 925 4.443 -4.556 -4.813 1.00 0.00 C ATOM 158 O VAL A 925 3.917 -3.466 -4.591 1.00 0.00 O ATOM 159 CB VAL A 925 3.124 -6.501 -5.807 1.00 0.00 C ATOM 160 CG1 VAL A 925 1.958 -6.046 -4.927 1.00 0.00 C ATOM 161 CG2 VAL A 925 2.618 -7.107 -7.118 1.00 0.00 C ATOM 0 H VAL A 925 5.428 -6.862 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 925 3.580 -4.663 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 925 3.668 -7.276 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 925 1.285 -6.886 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 925 2.342 -5.683 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 925 1.415 -5.245 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 925 1.932 -7.926 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 925 2.098 -6.343 -7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 925 3.463 -7.485 -7.694 1.00 0.00 H new ATOM 171 N TYR A 926 5.331 -5.136 -4.019 1.00 0.00 N ATOM 172 CA TYR A 926 5.760 -4.500 -2.785 1.00 0.00 C ATOM 173 C TYR A 926 6.500 -3.192 -3.071 1.00 0.00 C ATOM 174 O TYR A 926 6.565 -2.311 -2.215 1.00 0.00 O ATOM 175 CB TYR A 926 6.725 -5.482 -2.118 1.00 0.00 C ATOM 176 CG TYR A 926 6.085 -6.332 -1.018 1.00 0.00 C ATOM 177 CD1 TYR A 926 4.862 -6.934 -1.235 1.00 0.00 C ATOM 178 CD2 TYR A 926 6.730 -6.497 0.190 1.00 0.00 C ATOM 179 CE1 TYR A 926 4.259 -7.734 -0.200 1.00 0.00 C ATOM 180 CE2 TYR A 926 6.128 -7.298 1.225 1.00 0.00 C ATOM 181 CZ TYR A 926 4.922 -7.877 0.978 1.00 0.00 C ATOM 182 OH TYR A 926 4.354 -8.632 1.956 1.00 0.00 O ATOM 0 H TYR A 926 5.765 -6.040 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 926 4.901 -4.265 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 926 7.139 -6.143 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 926 7.559 -4.924 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 926 4.357 -6.805 -2.181 1.00 0.00 H new ATOM 0 HD2 TYR A 926 7.687 -6.026 0.360 1.00 0.00 H new ATOM 0 HE1 TYR A 926 3.302 -8.209 -0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 926 6.623 -7.436 2.175 1.00 0.00 H new ATOM 0 HH TYR A 926 4.856 -8.518 2.790 1.00 0.00 H new ATOM 192 N GLU A 927 7.041 -3.106 -4.278 1.00 0.00 N ATOM 193 CA GLU A 927 7.774 -1.920 -4.687 1.00 0.00 C ATOM 194 C GLU A 927 6.816 -0.741 -4.868 1.00 0.00 C ATOM 195 O GLU A 927 6.846 0.212 -4.091 1.00 0.00 O ATOM 196 CB GLU A 927 8.569 -2.182 -5.968 1.00 0.00 C ATOM 197 CG GLU A 927 9.905 -2.860 -5.655 1.00 0.00 C ATOM 198 CD GLU A 927 11.023 -1.826 -5.509 1.00 0.00 C ATOM 199 OE1 GLU A 927 11.088 -1.209 -4.424 1.00 0.00 O ATOM 200 OE2 GLU A 927 11.788 -1.676 -6.487 1.00 0.00 O ATOM 0 H GLU A 927 6.986 -3.839 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 927 8.486 -1.667 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 927 7.986 -2.812 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 927 8.748 -1.241 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 927 9.817 -3.438 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 927 10.156 -3.562 -6.450 1.00 0.00 H new ATOM 207 N ASN A 928 5.990 -0.843 -5.899 1.00 0.00 N ATOM 208 CA ASN A 928 5.026 0.204 -6.192 1.00 0.00 C ATOM 209 C ASN A 928 4.301 0.598 -4.903 1.00 0.00 C ATOM 210 O ASN A 928 3.785 1.710 -4.792 1.00 0.00 O ATOM 211 CB ASN A 928 3.977 -0.279 -7.195 1.00 0.00 C ATOM 212 CG ASN A 928 4.640 -0.891 -8.430 1.00 0.00 C ATOM 213 OD1 ASN A 928 4.667 -2.096 -8.619 1.00 0.00 O ATOM 214 ND2 ASN A 928 5.173 0.003 -9.258 1.00 0.00 N ATOM 0 H ASN A 928 5.968 -1.635 -6.542 1.00 0.00 H new ATOM 0 HA ASN A 928 5.566 1.052 -6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 928 3.329 -1.017 -6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 928 3.343 0.556 -7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 928 5.639 -0.306 -10.111 1.00 0.00 H new ATOM 0 HD22 ASN A 928 5.115 0.998 -9.040 1.00 0.00 H new ATOM 221 N VAL A 929 4.285 -0.334 -3.962 1.00 0.00 N ATOM 222 CA VAL A 929 3.632 -0.097 -2.686 1.00 0.00 C ATOM 223 C VAL A 929 4.508 0.822 -1.832 1.00 0.00 C ATOM 224 O VAL A 929 4.130 1.957 -1.547 1.00 0.00 O ATOM 225 CB VAL A 929 3.320 -1.430 -2.002 1.00 0.00 C ATOM 226 CG1 VAL A 929 3.070 -1.234 -0.506 1.00 0.00 C ATOM 227 CG2 VAL A 929 2.131 -2.124 -2.671 1.00 0.00 C ATOM 0 H VAL A 929 4.714 -1.255 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 929 2.678 0.409 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 929 4.191 -2.076 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 929 2.851 -2.197 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 929 3.957 -0.803 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 929 2.224 -0.562 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 929 1.930 -3.069 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 929 1.252 -1.483 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 929 2.363 -2.315 -3.719 1.00 0.00 H new ATOM 237 N THR A 930 5.662 0.296 -1.447 1.00 0.00 N ATOM 238 CA THR A 930 6.595 1.055 -0.632 1.00 0.00 C ATOM 239 C THR A 930 7.084 2.291 -1.391 1.00 0.00 C ATOM 240 O THR A 930 7.075 3.397 -0.853 1.00 0.00 O ATOM 241 CB THR A 930 7.725 0.115 -0.208 1.00 0.00 C ATOM 242 OG1 THR A 930 8.679 0.976 0.408 1.00 0.00 O ATOM 243 CG2 THR A 930 8.474 -0.476 -1.404 1.00 0.00 C ATOM 0 H THR A 930 5.972 -0.646 -1.684 1.00 0.00 H new ATOM 0 HA THR A 930 6.114 1.436 0.269 1.00 0.00 H new ATOM 0 HB THR A 930 7.317 -0.693 0.400 1.00 0.00 H new ATOM 0 HG1 THR A 930 9.446 0.448 0.715 1.00 0.00 H new ATOM 0 HG21 THR A 930 9.265 -1.136 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 930 7.780 -1.044 -2.024 1.00 0.00 H new ATOM 0 HG23 THR A 930 8.911 0.330 -1.994 1.00 0.00 H new ATOM 251 N GLY A 931 7.498 2.060 -2.628 1.00 0.00 N ATOM 252 CA GLY A 931 7.990 3.140 -3.466 1.00 0.00 C ATOM 253 C GLY A 931 7.008 4.313 -3.480 1.00 0.00 C ATOM 254 O GLY A 931 7.418 5.472 -3.428 1.00 0.00 O ATOM 0 H GLY A 931 7.503 1.141 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 931 8.960 3.477 -3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 931 8.142 2.776 -4.482 1.00 0.00 H new ATOM 258 N LEU A 932 5.730 3.973 -3.551 1.00 0.00 N ATOM 259 CA LEU A 932 4.686 4.983 -3.573 1.00 0.00 C ATOM 260 C LEU A 932 4.783 5.838 -2.308 1.00 0.00 C ATOM 261 O LEU A 932 5.078 7.030 -2.381 1.00 0.00 O ATOM 262 CB LEU A 932 3.315 4.334 -3.773 1.00 0.00 C ATOM 263 CG LEU A 932 2.132 5.050 -3.119 1.00 0.00 C ATOM 264 CD1 LEU A 932 0.975 5.211 -4.107 1.00 0.00 C ATOM 265 CD2 LEU A 932 1.697 4.335 -1.839 1.00 0.00 C ATOM 0 H LEU A 932 5.393 3.011 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 932 4.822 5.652 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 932 3.123 4.260 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 932 3.357 3.316 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 932 2.454 6.051 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.147 5.723 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 932 1.307 5.797 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 932 0.645 4.228 -4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.855 4.865 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 932 1.399 3.314 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 932 2.527 4.316 -1.133 1.00 0.00 H new ATOM 277 N VAL A 933 4.529 5.195 -1.177 1.00 0.00 N ATOM 278 CA VAL A 933 4.584 5.882 0.102 1.00 0.00 C ATOM 279 C VAL A 933 5.934 6.590 0.239 1.00 0.00 C ATOM 280 O VAL A 933 6.004 7.706 0.751 1.00 0.00 O ATOM 281 CB VAL A 933 4.309 4.894 1.238 1.00 0.00 C ATOM 282 CG1 VAL A 933 2.863 4.398 1.195 1.00 0.00 C ATOM 283 CG2 VAL A 933 5.292 3.722 1.195 1.00 0.00 C ATOM 0 H VAL A 933 4.285 4.206 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 933 3.809 6.647 0.159 1.00 0.00 H new ATOM 0 HB VAL A 933 4.455 5.420 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 933 2.694 3.697 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 933 2.185 5.245 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 933 2.678 3.898 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 933 5.075 3.035 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 933 5.192 3.198 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 933 6.310 4.097 1.297 1.00 0.00 H new ATOM 293 N LYS A 934 6.971 5.911 -0.228 1.00 0.00 N ATOM 294 CA LYS A 934 8.315 6.461 -0.165 1.00 0.00 C ATOM 295 C LYS A 934 8.306 7.885 -0.726 1.00 0.00 C ATOM 296 O LYS A 934 9.075 8.736 -0.283 1.00 0.00 O ATOM 297 CB LYS A 934 9.308 5.531 -0.863 1.00 0.00 C ATOM 298 CG LYS A 934 9.501 4.238 -0.068 1.00 0.00 C ATOM 299 CD LYS A 934 10.903 4.170 0.538 1.00 0.00 C ATOM 300 CE LYS A 934 11.818 3.270 -0.294 1.00 0.00 C ATOM 301 NZ LYS A 934 12.805 4.081 -1.041 1.00 0.00 N ATOM 0 H LYS A 934 6.908 4.985 -0.652 1.00 0.00 H new ATOM 0 HA LYS A 934 8.651 6.528 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 934 8.949 5.296 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 934 10.266 6.037 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 934 8.755 4.180 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 934 9.341 3.379 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 934 11.327 5.172 0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 934 10.844 3.791 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 934 12.336 2.566 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 934 11.222 2.680 -0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 13.418 3.454 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 12.306 4.735 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 13.386 4.625 -0.371 1.00 0.00 H new ATOM 315 N ALA A 935 7.427 8.099 -1.694 1.00 0.00 N ATOM 316 CA ALA A 935 7.307 9.404 -2.321 1.00 0.00 C ATOM 317 C ALA A 935 6.327 10.262 -1.520 1.00 0.00 C ATOM 318 O ALA A 935 6.589 11.437 -1.264 1.00 0.00 O ATOM 319 CB ALA A 935 6.876 9.233 -3.779 1.00 0.00 C ATOM 0 H ALA A 935 6.791 7.390 -2.059 1.00 0.00 H new ATOM 0 HA ALA A 935 8.268 9.918 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 935 6.786 10.212 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 935 7.621 8.642 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 935 5.913 8.723 -3.816 1.00 0.00 H new ATOM 325 N VAL A 936 5.217 9.643 -1.145 1.00 0.00 N ATOM 326 CA VAL A 936 4.196 10.336 -0.377 1.00 0.00 C ATOM 327 C VAL A 936 4.867 11.202 0.691 1.00 0.00 C ATOM 328 O VAL A 936 4.528 12.374 0.847 1.00 0.00 O ATOM 329 CB VAL A 936 3.206 9.326 0.206 1.00 0.00 C ATOM 330 CG1 VAL A 936 2.316 9.981 1.265 1.00 0.00 C ATOM 331 CG2 VAL A 936 2.364 8.683 -0.897 1.00 0.00 C ATOM 0 H VAL A 936 5.002 8.669 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 936 3.620 11.002 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 936 3.779 8.536 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.621 9.242 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 936 2.937 10.369 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.755 10.800 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 936 1.669 7.969 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 936 1.804 9.455 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 936 3.018 8.165 -1.599 1.00 0.00 H new ATOM 341 N ILE A 937 5.806 10.591 1.398 1.00 0.00 N ATOM 342 CA ILE A 937 6.527 11.291 2.447 1.00 0.00 C ATOM 343 C ILE A 937 7.506 12.282 1.813 1.00 0.00 C ATOM 344 O ILE A 937 7.368 13.492 1.984 1.00 0.00 O ATOM 345 CB ILE A 937 7.191 10.294 3.399 1.00 0.00 C ATOM 346 CG1 ILE A 937 6.152 9.613 4.292 1.00 0.00 C ATOM 347 CG2 ILE A 937 8.296 10.968 4.216 1.00 0.00 C ATOM 348 CD1 ILE A 937 6.608 8.207 4.689 1.00 0.00 C ATOM 0 H ILE A 937 6.084 9.619 1.265 1.00 0.00 H new ATOM 0 HA ILE A 937 5.838 11.871 3.061 1.00 0.00 H new ATOM 0 HB ILE A 937 7.663 9.514 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 937 5.988 10.212 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 937 5.198 9.555 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 937 8.751 10.237 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 937 9.055 11.366 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 937 7.870 11.781 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 937 5.852 7.745 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 937 6.748 7.603 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 937 7.550 8.270 5.234 1.00 0.00 H new ATOM 360 N GLU A 938 8.474 11.731 1.095 1.00 0.00 N ATOM 361 CA GLU A 938 9.475 12.551 0.435 1.00 0.00 C ATOM 362 C GLU A 938 8.868 13.888 0.007 1.00 0.00 C ATOM 363 O GLU A 938 9.473 14.941 0.207 1.00 0.00 O ATOM 364 CB GLU A 938 10.083 11.816 -0.762 1.00 0.00 C ATOM 365 CG GLU A 938 11.558 12.183 -0.939 1.00 0.00 C ATOM 366 CD GLU A 938 12.464 11.014 -0.548 1.00 0.00 C ATOM 367 OE1 GLU A 938 12.519 10.721 0.666 1.00 0.00 O ATOM 368 OE2 GLU A 938 13.081 10.440 -1.471 1.00 0.00 O ATOM 0 H GLU A 938 8.586 10.727 0.956 1.00 0.00 H new ATOM 0 HA GLU A 938 10.279 12.750 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 938 9.987 10.740 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 938 9.531 12.068 -1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 938 11.745 12.462 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 938 11.796 13.053 -0.327 1.00 0.00 H new ATOM 375 N MET A 939 7.681 13.804 -0.575 1.00 0.00 N ATOM 376 CA MET A 939 6.985 14.995 -1.032 1.00 0.00 C ATOM 377 C MET A 939 7.035 16.099 0.025 1.00 0.00 C ATOM 378 O MET A 939 7.725 17.102 -0.151 1.00 0.00 O ATOM 379 CB MET A 939 5.527 14.648 -1.341 1.00 0.00 C ATOM 380 CG MET A 939 5.189 14.951 -2.802 1.00 0.00 C ATOM 381 SD MET A 939 3.481 14.548 -3.129 1.00 0.00 S ATOM 382 CE MET A 939 2.691 15.447 -1.805 1.00 0.00 C ATOM 0 H MET A 939 7.183 12.929 -0.741 1.00 0.00 H new ATOM 0 HA MET A 939 7.479 15.359 -1.933 1.00 0.00 H new ATOM 0 HB2 MET A 939 5.349 13.593 -1.134 1.00 0.00 H new ATOM 0 HB3 MET A 939 4.867 15.217 -0.686 1.00 0.00 H new ATOM 0 HG2 MET A 939 5.370 16.005 -3.015 1.00 0.00 H new ATOM 0 HG3 MET A 939 5.840 14.376 -3.461 1.00 0.00 H new ATOM 0 HE1 MET A 939 1.618 15.497 -1.989 1.00 0.00 H new ATOM 0 HE2 MET A 939 2.873 14.937 -0.859 1.00 0.00 H new ATOM 0 HE3 MET A 939 3.099 16.457 -1.757 1.00 0.00 H new ATOM 392 N SER A 940 6.294 15.878 1.101 1.00 0.00 N ATOM 393 CA SER A 940 6.244 16.842 2.187 1.00 0.00 C ATOM 394 C SER A 940 7.642 17.406 2.450 1.00 0.00 C ATOM 395 O SER A 940 7.787 18.575 2.803 1.00 0.00 O ATOM 396 CB SER A 940 5.678 16.209 3.460 1.00 0.00 C ATOM 397 OG SER A 940 6.668 15.475 4.176 1.00 0.00 O ATOM 0 H SER A 940 5.723 15.045 1.244 1.00 0.00 H new ATOM 0 HA SER A 940 5.581 17.655 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 940 5.270 16.989 4.102 1.00 0.00 H new ATOM 0 HB3 SER A 940 4.853 15.546 3.200 1.00 0.00 H new ATOM 0 HG SER A 940 7.034 14.771 3.600 1.00 0.00 H new ATOM 403 N SER A 941 8.635 16.548 2.268 1.00 0.00 N ATOM 404 CA SER A 941 10.016 16.945 2.482 1.00 0.00 C ATOM 405 C SER A 941 10.359 18.143 1.593 1.00 0.00 C ATOM 406 O SER A 941 10.838 19.165 2.081 1.00 0.00 O ATOM 407 CB SER A 941 10.973 15.785 2.202 1.00 0.00 C ATOM 408 OG SER A 941 12.153 15.862 2.997 1.00 0.00 O ATOM 0 H SER A 941 8.510 15.579 1.975 1.00 0.00 H new ATOM 0 HA SER A 941 10.132 17.231 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 941 10.465 14.841 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 941 11.246 15.787 1.147 1.00 0.00 H new ATOM 0 HG SER A 941 12.737 15.103 2.790 1.00 0.00 H new ATOM 414 N LYS A 942 10.101 17.976 0.305 1.00 0.00 N ATOM 415 CA LYS A 942 10.377 19.030 -0.656 1.00 0.00 C ATOM 416 C LYS A 942 9.055 19.629 -1.143 1.00 0.00 C ATOM 417 O LYS A 942 8.949 20.056 -2.291 1.00 0.00 O ATOM 418 CB LYS A 942 11.267 18.507 -1.785 1.00 0.00 C ATOM 419 CG LYS A 942 10.430 17.846 -2.882 1.00 0.00 C ATOM 420 CD LYS A 942 10.583 18.589 -4.211 1.00 0.00 C ATOM 421 CE LYS A 942 9.309 18.476 -5.052 1.00 0.00 C ATOM 422 NZ LYS A 942 9.379 19.380 -6.222 1.00 0.00 N ATOM 0 H LYS A 942 9.704 17.126 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 942 10.940 19.836 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 942 11.844 19.329 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 942 11.982 17.788 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 942 10.739 16.808 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 942 9.381 17.834 -2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 942 10.806 19.639 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 942 11.427 18.179 -4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 942 9.177 17.447 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 942 8.440 18.726 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 8.507 19.291 -6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 9.483 20.362 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 10.197 19.123 -6.811 1.00 0.00 H new ATOM 436 N ILE A 943 8.082 19.641 -0.244 1.00 0.00 N ATOM 437 CA ILE A 943 6.772 20.181 -0.567 1.00 0.00 C ATOM 438 C ILE A 943 6.709 21.648 -0.136 1.00 0.00 C ATOM 439 O ILE A 943 6.350 22.516 -0.930 1.00 0.00 O ATOM 440 CB ILE A 943 5.670 19.313 0.043 1.00 0.00 C ATOM 441 CG1 ILE A 943 4.473 19.201 -0.904 1.00 0.00 C ATOM 442 CG2 ILE A 943 5.262 19.833 1.423 1.00 0.00 C ATOM 443 CD1 ILE A 943 3.610 20.464 -0.849 1.00 0.00 C ATOM 0 H ILE A 943 8.174 19.286 0.708 1.00 0.00 H new ATOM 0 HA ILE A 943 6.605 20.158 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 943 6.066 18.307 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 943 4.825 19.041 -1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 943 3.871 18.333 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 943 4.477 19.198 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 943 6.126 19.818 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 943 4.892 20.854 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 943 2.766 20.358 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 943 3.240 20.608 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 943 4.208 21.327 -1.143 1.00 0.00 H new ATOM 455 N GLN A 944 7.063 21.878 1.119 1.00 0.00 N ATOM 456 CA GLN A 944 7.051 23.225 1.665 1.00 0.00 C ATOM 457 C GLN A 944 7.626 24.214 0.649 1.00 0.00 C ATOM 458 O GLN A 944 6.990 25.216 0.326 1.00 0.00 O ATOM 459 CB GLN A 944 7.820 23.287 2.986 1.00 0.00 C ATOM 460 CG GLN A 944 6.892 23.665 4.143 1.00 0.00 C ATOM 461 CD GLN A 944 7.660 24.394 5.247 1.00 0.00 C ATOM 462 OE1 GLN A 944 8.816 24.756 5.099 1.00 0.00 O ATOM 463 NE2 GLN A 944 6.956 24.590 6.358 1.00 0.00 N ATOM 0 H GLN A 944 7.360 21.155 1.774 1.00 0.00 H new ATOM 0 HA GLN A 944 6.018 23.504 1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 944 8.283 22.321 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 944 8.626 24.017 2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 944 6.087 24.301 3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 944 6.428 22.767 4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 944 5.992 24.261 6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 944 7.380 25.069 7.153 1.00 0.00 H new ATOM 472 N PRO A 945 8.853 23.890 0.162 1.00 0.00 N ATOM 473 CA PRO A 945 9.520 24.739 -0.811 1.00 0.00 C ATOM 474 C PRO A 945 8.891 24.584 -2.197 1.00 0.00 C ATOM 475 O PRO A 945 8.548 25.575 -2.841 1.00 0.00 O ATOM 476 CB PRO A 945 10.979 24.313 -0.770 1.00 0.00 C ATOM 477 CG PRO A 945 10.993 22.938 -0.123 1.00 0.00 C ATOM 478 CD PRO A 945 9.636 22.712 0.522 1.00 0.00 C ATOM 0 HA PRO A 945 9.422 25.800 -0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 945 11.404 24.277 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 945 11.577 25.021 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 945 11.195 22.168 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 945 11.785 22.875 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 945 9.169 21.799 0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 945 9.724 22.610 1.604 1.00 0.00 H new ATOM 486 N ALA A 946 8.759 23.334 -2.615 1.00 0.00 N ATOM 487 CA ALA A 946 8.177 23.037 -3.913 1.00 0.00 C ATOM 488 C ALA A 946 7.090 24.067 -4.228 1.00 0.00 C ATOM 489 O ALA A 946 6.181 24.280 -3.428 1.00 0.00 O ATOM 490 CB ALA A 946 7.640 21.604 -3.916 1.00 0.00 C ATOM 0 H ALA A 946 9.045 22.515 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 946 8.932 23.104 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 946 7.203 21.381 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 946 8.456 20.909 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 946 6.878 21.500 -3.144 1.00 0.00 H new ATOM 496 N PRO A 947 7.224 24.696 -5.426 1.00 0.00 N ATOM 497 CA PRO A 947 6.265 25.699 -5.857 1.00 0.00 C ATOM 498 C PRO A 947 4.956 25.048 -6.306 1.00 0.00 C ATOM 499 O PRO A 947 4.847 23.823 -6.340 1.00 0.00 O ATOM 500 CB PRO A 947 6.964 26.458 -6.973 1.00 0.00 C ATOM 501 CG PRO A 947 8.099 25.562 -7.440 1.00 0.00 C ATOM 502 CD PRO A 947 8.289 24.470 -6.400 1.00 0.00 C ATOM 0 HA PRO A 947 5.975 26.376 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 947 6.275 26.673 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 947 7.344 27.415 -6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 947 7.867 25.127 -8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 947 9.016 26.139 -7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 947 8.212 23.479 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 947 9.272 24.534 -5.934 1.00 0.00 H new ATOM 510 N PRO A 948 3.969 25.918 -6.649 1.00 0.00 N ATOM 511 CA PRO A 948 2.671 25.441 -7.094 1.00 0.00 C ATOM 512 C PRO A 948 2.745 24.908 -8.526 1.00 0.00 C ATOM 513 O PRO A 948 1.823 24.240 -8.992 1.00 0.00 O ATOM 514 CB PRO A 948 1.742 26.636 -6.953 1.00 0.00 C ATOM 515 CG PRO A 948 2.644 27.858 -6.877 1.00 0.00 C ATOM 516 CD PRO A 948 4.062 27.375 -6.621 1.00 0.00 C ATOM 0 HA PRO A 948 2.308 24.600 -6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.062 26.705 -7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.126 26.549 -6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.596 28.426 -7.806 1.00 0.00 H new ATOM 0 HG3 PRO A 948 2.318 28.524 -6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 948 4.749 27.742 -7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 948 4.433 27.730 -5.660 1.00 0.00 H new ATOM 524 N GLU A 949 3.851 25.223 -9.185 1.00 0.00 N ATOM 525 CA GLU A 949 4.057 24.784 -10.554 1.00 0.00 C ATOM 526 C GLU A 949 4.741 23.415 -10.575 1.00 0.00 C ATOM 527 O GLU A 949 4.624 22.673 -11.550 1.00 0.00 O ATOM 528 CB GLU A 949 4.867 25.813 -11.344 1.00 0.00 C ATOM 529 CG GLU A 949 4.057 26.364 -12.519 1.00 0.00 C ATOM 530 CD GLU A 949 4.897 27.328 -13.360 1.00 0.00 C ATOM 531 OE1 GLU A 949 5.622 28.137 -12.741 1.00 0.00 O ATOM 532 OE2 GLU A 949 4.794 27.236 -14.602 1.00 0.00 O ATOM 0 H GLU A 949 4.614 25.777 -8.796 1.00 0.00 H new ATOM 0 HA GLU A 949 3.083 24.690 -11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 949 5.163 26.631 -10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 949 5.784 25.353 -11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 949 3.708 25.541 -13.143 1.00 0.00 H new ATOM 0 HG3 GLU A 949 3.172 26.878 -12.146 1.00 0.00 H new ATOM 539 N GLU A 950 5.440 23.121 -9.489 1.00 0.00 N ATOM 540 CA GLU A 950 6.143 21.855 -9.371 1.00 0.00 C ATOM 541 C GLU A 950 5.385 20.913 -8.433 1.00 0.00 C ATOM 542 O GLU A 950 5.742 19.744 -8.300 1.00 0.00 O ATOM 543 CB GLU A 950 7.580 22.068 -8.890 1.00 0.00 C ATOM 544 CG GLU A 950 8.583 21.485 -9.887 1.00 0.00 C ATOM 545 CD GLU A 950 9.413 22.592 -10.541 1.00 0.00 C ATOM 546 OE1 GLU A 950 8.785 23.513 -11.106 1.00 0.00 O ATOM 547 OE2 GLU A 950 10.656 22.491 -10.461 1.00 0.00 O ATOM 0 H GLU A 950 5.535 23.738 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 950 6.190 21.394 -10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.769 23.133 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.715 21.598 -7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.243 20.784 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.053 20.922 -10.655 1.00 0.00 H new ATOM 554 N TYR A 951 4.353 21.458 -7.806 1.00 0.00 N ATOM 555 CA TYR A 951 3.541 20.681 -6.884 1.00 0.00 C ATOM 556 C TYR A 951 2.334 20.069 -7.598 1.00 0.00 C ATOM 557 O TYR A 951 1.949 18.936 -7.314 1.00 0.00 O ATOM 558 CB TYR A 951 3.046 21.667 -5.825 1.00 0.00 C ATOM 559 CG TYR A 951 2.183 21.028 -4.735 1.00 0.00 C ATOM 560 CD1 TYR A 951 2.661 19.947 -4.022 1.00 0.00 C ATOM 561 CD2 TYR A 951 0.927 21.532 -4.465 1.00 0.00 C ATOM 562 CE1 TYR A 951 1.849 19.346 -2.996 1.00 0.00 C ATOM 563 CE2 TYR A 951 0.115 20.930 -3.439 1.00 0.00 C ATOM 564 CZ TYR A 951 0.616 19.867 -2.756 1.00 0.00 C ATOM 565 OH TYR A 951 -0.151 19.298 -1.787 1.00 0.00 O ATOM 0 H TYR A 951 4.060 22.429 -7.918 1.00 0.00 H new ATOM 0 HA TYR A 951 4.122 19.864 -6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 951 3.907 22.146 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 951 2.471 22.453 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 951 3.644 19.552 -4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.553 22.378 -5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 951 2.211 18.501 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.870 21.314 -3.217 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.486 19.994 -1.184 1.00 0.00 H new ATOM 575 N VAL A 952 1.771 20.846 -8.512 1.00 0.00 N ATOM 576 CA VAL A 952 0.616 20.394 -9.269 1.00 0.00 C ATOM 577 C VAL A 952 0.912 19.019 -9.872 1.00 0.00 C ATOM 578 O VAL A 952 0.101 18.102 -9.762 1.00 0.00 O ATOM 579 CB VAL A 952 0.238 21.439 -10.321 1.00 0.00 C ATOM 580 CG1 VAL A 952 -0.187 20.771 -11.630 1.00 0.00 C ATOM 581 CG2 VAL A 952 -0.857 22.371 -9.799 1.00 0.00 C ATOM 0 H VAL A 952 2.093 21.785 -8.745 1.00 0.00 H new ATOM 0 HA VAL A 952 -0.249 20.283 -8.615 1.00 0.00 H new ATOM 0 HB VAL A 952 1.122 22.043 -10.526 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -0.450 21.536 -12.360 1.00 0.00 H new ATOM 0 HG12 VAL A 952 0.636 20.169 -12.016 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.050 20.131 -11.448 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -1.107 23.104 -10.566 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.744 21.788 -9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -0.501 22.886 -8.907 1.00 0.00 H new ATOM 591 N PRO A 953 2.108 18.918 -10.512 1.00 0.00 N ATOM 592 CA PRO A 953 2.521 17.671 -11.132 1.00 0.00 C ATOM 593 C PRO A 953 2.960 16.653 -10.077 1.00 0.00 C ATOM 594 O PRO A 953 2.491 15.516 -10.073 1.00 0.00 O ATOM 595 CB PRO A 953 3.640 18.057 -12.086 1.00 0.00 C ATOM 596 CG PRO A 953 4.125 19.423 -11.627 1.00 0.00 C ATOM 597 CD PRO A 953 3.094 19.984 -10.661 1.00 0.00 C ATOM 0 HA PRO A 953 1.710 17.180 -11.669 1.00 0.00 H new ATOM 0 HB2 PRO A 953 4.448 17.326 -12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 953 3.281 18.095 -13.114 1.00 0.00 H new ATOM 0 HG2 PRO A 953 5.097 19.339 -11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 953 4.251 20.090 -12.480 1.00 0.00 H new ATOM 0 HD2 PRO A 953 3.547 20.241 -9.704 1.00 0.00 H new ATOM 0 HD3 PRO A 953 2.638 20.893 -11.052 1.00 0.00 H new ATOM 605 N MET A 954 3.856 17.098 -9.208 1.00 0.00 N ATOM 606 CA MET A 954 4.363 16.241 -8.151 1.00 0.00 C ATOM 607 C MET A 954 3.273 15.296 -7.640 1.00 0.00 C ATOM 608 O MET A 954 3.350 14.086 -7.846 1.00 0.00 O ATOM 609 CB MET A 954 4.874 17.103 -6.994 1.00 0.00 C ATOM 610 CG MET A 954 6.367 16.870 -6.754 1.00 0.00 C ATOM 611 SD MET A 954 6.713 16.885 -5.003 1.00 0.00 S ATOM 612 CE MET A 954 5.759 18.311 -4.511 1.00 0.00 C ATOM 0 H MET A 954 4.244 18.041 -9.215 1.00 0.00 H new ATOM 0 HA MET A 954 5.178 15.641 -8.556 1.00 0.00 H new ATOM 0 HB2 MET A 954 4.698 18.156 -7.215 1.00 0.00 H new ATOM 0 HB3 MET A 954 4.316 16.869 -6.088 1.00 0.00 H new ATOM 0 HG2 MET A 954 6.668 15.915 -7.184 1.00 0.00 H new ATOM 0 HG3 MET A 954 6.949 17.643 -7.255 1.00 0.00 H new ATOM 0 HE1 MET A 954 6.211 18.765 -3.629 1.00 0.00 H new ATOM 0 HE2 MET A 954 5.743 19.036 -5.325 1.00 0.00 H new ATOM 0 HE3 MET A 954 4.739 18.004 -4.278 1.00 0.00 H new ATOM 622 N VAL A 955 2.284 15.885 -6.984 1.00 0.00 N ATOM 623 CA VAL A 955 1.180 15.110 -6.443 1.00 0.00 C ATOM 624 C VAL A 955 0.578 14.245 -7.552 1.00 0.00 C ATOM 625 O VAL A 955 0.465 13.029 -7.403 1.00 0.00 O ATOM 626 CB VAL A 955 0.158 16.043 -5.790 1.00 0.00 C ATOM 627 CG1 VAL A 955 -1.112 15.281 -5.405 1.00 0.00 C ATOM 628 CG2 VAL A 955 0.760 16.753 -4.576 1.00 0.00 C ATOM 0 H VAL A 955 2.224 16.889 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 955 1.532 14.437 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 955 -0.116 16.804 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -1.822 15.967 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -1.559 14.844 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -0.861 14.489 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 955 0.013 17.410 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 955 1.076 16.013 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 955 1.621 17.343 -4.890 1.00 0.00 H new ATOM 638 N LYS A 956 0.205 14.906 -8.638 1.00 0.00 N ATOM 639 CA LYS A 956 -0.383 14.213 -9.771 1.00 0.00 C ATOM 640 C LYS A 956 0.344 12.883 -9.983 1.00 0.00 C ATOM 641 O LYS A 956 -0.263 11.900 -10.406 1.00 0.00 O ATOM 642 CB LYS A 956 -0.388 15.115 -11.007 1.00 0.00 C ATOM 643 CG LYS A 956 -1.818 15.442 -11.441 1.00 0.00 C ATOM 644 CD LYS A 956 -1.926 16.887 -11.932 1.00 0.00 C ATOM 645 CE LYS A 956 -1.053 17.112 -13.168 1.00 0.00 C ATOM 646 NZ LYS A 956 -1.594 18.219 -13.989 1.00 0.00 N ATOM 0 H LYS A 956 0.299 15.915 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 956 -1.429 13.977 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.150 16.038 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 956 0.140 14.622 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -2.126 14.761 -12.234 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -2.500 15.286 -10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -2.965 17.118 -12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -1.621 17.569 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -0.032 17.343 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.010 16.199 -13.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -0.990 18.359 -14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -2.560 17.984 -14.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -1.613 19.093 -13.425 1.00 0.00 H new ATOM 660 N GLU A 957 1.634 12.896 -9.680 1.00 0.00 N ATOM 661 CA GLU A 957 2.450 11.703 -9.832 1.00 0.00 C ATOM 662 C GLU A 957 2.018 10.633 -8.827 1.00 0.00 C ATOM 663 O GLU A 957 1.649 9.525 -9.215 1.00 0.00 O ATOM 664 CB GLU A 957 3.936 12.032 -9.678 1.00 0.00 C ATOM 665 CG GLU A 957 4.780 11.232 -10.672 1.00 0.00 C ATOM 666 CD GLU A 957 5.185 9.879 -10.084 1.00 0.00 C ATOM 667 OE1 GLU A 957 6.192 9.861 -9.344 1.00 0.00 O ATOM 668 OE2 GLU A 957 4.478 8.894 -10.388 1.00 0.00 O ATOM 0 H GLU A 957 2.134 13.713 -9.330 1.00 0.00 H new ATOM 0 HA GLU A 957 2.301 11.310 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 957 4.094 13.099 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 957 4.258 11.810 -8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 957 4.216 11.078 -11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 957 5.672 11.799 -10.936 1.00 0.00 H new ATOM 675 N VAL A 958 2.078 11.002 -7.556 1.00 0.00 N ATOM 676 CA VAL A 958 1.698 10.087 -6.493 1.00 0.00 C ATOM 677 C VAL A 958 0.395 9.381 -6.875 1.00 0.00 C ATOM 678 O VAL A 958 0.279 8.165 -6.732 1.00 0.00 O ATOM 679 CB VAL A 958 1.603 10.840 -5.164 1.00 0.00 C ATOM 680 CG1 VAL A 958 0.158 11.246 -4.866 1.00 0.00 C ATOM 681 CG2 VAL A 958 2.186 10.008 -4.020 1.00 0.00 C ATOM 0 H VAL A 958 2.384 11.922 -7.238 1.00 0.00 H new ATOM 0 HA VAL A 958 2.458 9.317 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 958 2.195 11.751 -5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 958 0.118 11.779 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.209 11.894 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -0.466 10.354 -4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 958 2.106 10.566 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 958 1.633 9.073 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 958 3.235 9.792 -4.225 1.00 0.00 H new ATOM 691 N GLY A 959 -0.552 10.175 -7.353 1.00 0.00 N ATOM 692 CA GLY A 959 -1.842 9.641 -7.756 1.00 0.00 C ATOM 693 C GLY A 959 -1.675 8.527 -8.791 1.00 0.00 C ATOM 694 O GLY A 959 -2.382 7.521 -8.745 1.00 0.00 O ATOM 0 H GLY A 959 -0.452 11.183 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -2.369 9.255 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -2.456 10.440 -8.172 1.00 0.00 H new ATOM 698 N LEU A 960 -0.737 8.744 -9.700 1.00 0.00 N ATOM 699 CA LEU A 960 -0.468 7.770 -10.745 1.00 0.00 C ATOM 700 C LEU A 960 0.022 6.468 -10.109 1.00 0.00 C ATOM 701 O LEU A 960 -0.371 5.381 -10.530 1.00 0.00 O ATOM 702 CB LEU A 960 0.497 8.349 -11.782 1.00 0.00 C ATOM 703 CG LEU A 960 -0.007 8.376 -13.226 1.00 0.00 C ATOM 704 CD1 LEU A 960 0.457 9.644 -13.945 1.00 0.00 C ATOM 705 CD2 LEU A 960 0.407 7.108 -13.975 1.00 0.00 C ATOM 0 H LEU A 960 -0.153 9.580 -9.735 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.382 7.535 -11.290 1.00 0.00 H new ATOM 0 HB2 LEU A 960 0.748 9.368 -11.487 1.00 0.00 H new ATOM 0 HB3 LEU A 960 1.421 7.772 -11.751 1.00 0.00 H new ATOM 0 HG LEU A 960 -1.097 8.397 -13.207 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.085 9.638 -14.970 1.00 0.00 H new ATOM 0 HD12 LEU A 960 0.071 10.520 -13.424 1.00 0.00 H new ATOM 0 HD13 LEU A 960 1.546 9.679 -13.955 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.036 7.153 -14.999 1.00 0.00 H new ATOM 0 HD22 LEU A 960 1.494 7.030 -13.986 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.014 6.236 -13.474 1.00 0.00 H new ATOM 717 N ALA A 961 0.873 6.620 -9.105 1.00 0.00 N ATOM 718 CA ALA A 961 1.420 5.470 -8.407 1.00 0.00 C ATOM 719 C ALA A 961 0.276 4.648 -7.811 1.00 0.00 C ATOM 720 O ALA A 961 0.283 3.420 -7.886 1.00 0.00 O ATOM 721 CB ALA A 961 2.414 5.943 -7.343 1.00 0.00 C ATOM 0 H ALA A 961 1.197 7.523 -8.758 1.00 0.00 H new ATOM 0 HA ALA A 961 1.964 4.826 -9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 961 2.824 5.080 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 961 3.223 6.496 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 961 1.903 6.591 -6.630 1.00 0.00 H new ATOM 727 N LEU A 962 -0.681 5.358 -7.231 1.00 0.00 N ATOM 728 CA LEU A 962 -1.830 4.710 -6.623 1.00 0.00 C ATOM 729 C LEU A 962 -2.559 3.877 -7.679 1.00 0.00 C ATOM 730 O LEU A 962 -2.806 2.689 -7.476 1.00 0.00 O ATOM 731 CB LEU A 962 -2.723 5.742 -5.931 1.00 0.00 C ATOM 732 CG LEU A 962 -2.161 6.365 -4.651 1.00 0.00 C ATOM 733 CD1 LEU A 962 -2.497 7.855 -4.574 1.00 0.00 C ATOM 734 CD2 LEU A 962 -2.641 5.604 -3.414 1.00 0.00 C ATOM 0 H LEU A 962 -0.684 6.376 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 962 -1.509 4.023 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -2.934 6.543 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -3.675 5.268 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 962 -1.075 6.281 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -2.086 8.274 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.065 8.370 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -3.579 7.985 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -2.227 6.067 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -3.730 5.634 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -2.309 4.568 -3.473 1.00 0.00 H new ATOM 746 N ARG A 963 -2.882 4.532 -8.785 1.00 0.00 N ATOM 747 CA ARG A 963 -3.577 3.866 -9.873 1.00 0.00 C ATOM 748 C ARG A 963 -2.868 2.559 -10.235 1.00 0.00 C ATOM 749 O ARG A 963 -3.481 1.493 -10.228 1.00 0.00 O ATOM 750 CB ARG A 963 -3.646 4.761 -11.112 1.00 0.00 C ATOM 751 CG ARG A 963 -4.978 4.584 -11.843 1.00 0.00 C ATOM 752 CD ARG A 963 -5.776 5.889 -11.853 1.00 0.00 C ATOM 753 NE ARG A 963 -5.797 6.459 -13.218 1.00 0.00 N ATOM 754 CZ ARG A 963 -6.478 5.928 -14.243 1.00 0.00 C ATOM 755 NH1 ARG A 963 -7.197 4.812 -14.064 1.00 0.00 N ATOM 756 NH2 ARG A 963 -6.440 6.514 -15.448 1.00 0.00 N ATOM 0 H ARG A 963 -2.675 5.517 -8.951 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.591 3.652 -9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -3.524 5.804 -10.819 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -2.823 4.520 -11.785 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -4.794 4.258 -12.867 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -5.561 3.801 -11.359 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.795 5.705 -11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -5.331 6.602 -11.159 1.00 0.00 H new ATOM 0 HE ARG A 963 -5.260 7.309 -13.390 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -7.226 4.366 -13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -7.715 4.408 -14.844 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -5.893 7.364 -15.585 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -6.958 6.110 -16.228 1.00 0.00 H new ATOM 770 N THR A 964 -1.585 2.685 -10.544 1.00 0.00 N ATOM 771 CA THR A 964 -0.786 1.528 -10.908 1.00 0.00 C ATOM 772 C THR A 964 -0.809 0.489 -9.785 1.00 0.00 C ATOM 773 O THR A 964 -0.963 -0.704 -10.042 1.00 0.00 O ATOM 774 CB THR A 964 0.622 2.015 -11.256 1.00 0.00 C ATOM 775 OG1 THR A 964 0.466 2.653 -12.520 1.00 0.00 O ATOM 776 CG2 THR A 964 1.588 0.863 -11.536 1.00 0.00 C ATOM 0 H THR A 964 -1.080 3.571 -10.550 1.00 0.00 H new ATOM 0 HA THR A 964 -1.196 1.024 -11.783 1.00 0.00 H new ATOM 0 HB THR A 964 1.009 2.621 -10.437 1.00 0.00 H new ATOM 0 HG1 THR A 964 1.332 3.000 -12.820 1.00 0.00 H new ATOM 0 HG21 THR A 964 2.572 1.264 -11.778 1.00 0.00 H new ATOM 0 HG22 THR A 964 1.662 0.227 -10.654 1.00 0.00 H new ATOM 0 HG23 THR A 964 1.219 0.275 -12.377 1.00 0.00 H new ATOM 784 N LEU A 965 -0.654 0.980 -8.565 1.00 0.00 N ATOM 785 CA LEU A 965 -0.656 0.109 -7.402 1.00 0.00 C ATOM 786 C LEU A 965 -1.858 -0.833 -7.477 1.00 0.00 C ATOM 787 O LEU A 965 -1.709 -2.048 -7.352 1.00 0.00 O ATOM 788 CB LEU A 965 -0.600 0.934 -6.114 1.00 0.00 C ATOM 789 CG LEU A 965 -1.014 0.207 -4.833 1.00 0.00 C ATOM 790 CD1 LEU A 965 -0.218 0.719 -3.631 1.00 0.00 C ATOM 791 CD2 LEU A 965 -2.524 0.310 -4.607 1.00 0.00 C ATOM 0 H LEU A 965 -0.526 1.970 -8.356 1.00 0.00 H new ATOM 0 HA LEU A 965 0.238 -0.515 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 965 0.418 1.303 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -1.242 1.806 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.778 -0.851 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.531 0.186 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 965 0.845 0.550 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -0.400 1.786 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -2.791 -0.215 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.808 1.359 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -3.049 -0.140 -5.449 1.00 0.00 H new ATOM 803 N LEU A 966 -3.024 -0.238 -7.681 1.00 0.00 N ATOM 804 CA LEU A 966 -4.252 -1.009 -7.774 1.00 0.00 C ATOM 805 C LEU A 966 -4.026 -2.211 -8.694 1.00 0.00 C ATOM 806 O LEU A 966 -4.177 -3.356 -8.272 1.00 0.00 O ATOM 807 CB LEU A 966 -5.416 -0.114 -8.206 1.00 0.00 C ATOM 808 CG LEU A 966 -5.649 1.139 -7.360 1.00 0.00 C ATOM 809 CD1 LEU A 966 -6.895 1.892 -7.827 1.00 0.00 C ATOM 810 CD2 LEU A 966 -5.714 0.790 -5.871 1.00 0.00 C ATOM 0 H LEU A 966 -3.144 0.770 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 966 -4.529 -1.403 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -5.247 0.195 -9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -6.329 -0.709 -8.197 1.00 0.00 H new ATOM 0 HG LEU A 966 -4.799 1.807 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -7.037 2.778 -7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -6.770 2.192 -8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -7.767 1.244 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -5.880 1.698 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -6.533 0.093 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -4.775 0.330 -5.564 1.00 0.00 H new ATOM 822 N ALA A 967 -3.668 -1.908 -9.933 1.00 0.00 N ATOM 823 CA ALA A 967 -3.420 -2.949 -10.916 1.00 0.00 C ATOM 824 C ALA A 967 -2.349 -3.903 -10.382 1.00 0.00 C ATOM 825 O ALA A 967 -2.551 -5.116 -10.356 1.00 0.00 O ATOM 826 CB ALA A 967 -3.019 -2.310 -12.247 1.00 0.00 C ATOM 0 H ALA A 967 -3.544 -0.956 -10.279 1.00 0.00 H new ATOM 0 HA ALA A 967 -4.324 -3.532 -11.093 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.833 -3.091 -12.984 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -3.824 -1.664 -12.598 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.114 -1.719 -12.109 1.00 0.00 H new ATOM 832 N THR A 968 -1.234 -3.319 -9.969 1.00 0.00 N ATOM 833 CA THR A 968 -0.131 -4.102 -9.438 1.00 0.00 C ATOM 834 C THR A 968 -0.631 -5.058 -8.353 1.00 0.00 C ATOM 835 O THR A 968 -0.299 -6.243 -8.363 1.00 0.00 O ATOM 836 CB THR A 968 0.943 -3.132 -8.944 1.00 0.00 C ATOM 837 OG1 THR A 968 1.292 -2.381 -10.104 1.00 0.00 O ATOM 838 CG2 THR A 968 2.241 -3.843 -8.557 1.00 0.00 C ATOM 0 H THR A 968 -1.070 -2.312 -9.991 1.00 0.00 H new ATOM 0 HA THR A 968 0.312 -4.735 -10.207 1.00 0.00 H new ATOM 0 HB THR A 968 0.564 -2.577 -8.086 1.00 0.00 H new ATOM 0 HG1 THR A 968 0.656 -1.645 -10.221 1.00 0.00 H new ATOM 0 HG21 THR A 968 2.970 -3.109 -8.213 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.041 -4.557 -7.758 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.639 -4.371 -9.424 1.00 0.00 H new ATOM 846 N VAL A 969 -1.421 -4.509 -7.442 1.00 0.00 N ATOM 847 CA VAL A 969 -1.969 -5.298 -6.353 1.00 0.00 C ATOM 848 C VAL A 969 -2.795 -6.450 -6.928 1.00 0.00 C ATOM 849 O VAL A 969 -2.778 -7.558 -6.394 1.00 0.00 O ATOM 850 CB VAL A 969 -2.773 -4.400 -5.409 1.00 0.00 C ATOM 851 CG1 VAL A 969 -3.210 -5.169 -4.161 1.00 0.00 C ATOM 852 CG2 VAL A 969 -1.976 -3.150 -5.032 1.00 0.00 C ATOM 0 H VAL A 969 -1.695 -3.526 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 969 -1.167 -5.737 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 969 -3.672 -4.079 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -3.779 -4.508 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -3.833 -6.014 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -2.330 -5.533 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -2.569 -2.529 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.053 -3.444 -4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -1.737 -2.585 -5.933 1.00 0.00 H new ATOM 862 N ASP A 970 -3.497 -6.150 -8.011 1.00 0.00 N ATOM 863 CA ASP A 970 -4.327 -7.147 -8.665 1.00 0.00 C ATOM 864 C ASP A 970 -3.514 -8.426 -8.870 1.00 0.00 C ATOM 865 O ASP A 970 -4.015 -9.527 -8.645 1.00 0.00 O ATOM 866 CB ASP A 970 -4.795 -6.659 -10.038 1.00 0.00 C ATOM 867 CG ASP A 970 -6.145 -7.214 -10.496 1.00 0.00 C ATOM 868 OD1 ASP A 970 -7.133 -6.974 -9.768 1.00 0.00 O ATOM 869 OD2 ASP A 970 -6.159 -7.865 -11.562 1.00 0.00 O ATOM 0 H ASP A 970 -3.508 -5.230 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 970 -5.195 -7.331 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -4.854 -5.571 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.040 -6.925 -10.778 1.00 0.00 H new ATOM 874 N GLU A 971 -2.273 -8.239 -9.295 1.00 0.00 N ATOM 875 CA GLU A 971 -1.386 -9.365 -9.532 1.00 0.00 C ATOM 876 C GLU A 971 -1.002 -10.027 -8.207 1.00 0.00 C ATOM 877 O GLU A 971 -0.629 -11.199 -8.180 1.00 0.00 O ATOM 878 CB GLU A 971 -0.141 -8.929 -10.308 1.00 0.00 C ATOM 879 CG GLU A 971 -0.526 -8.231 -11.614 1.00 0.00 C ATOM 880 CD GLU A 971 0.719 -7.830 -12.409 1.00 0.00 C ATOM 881 OE1 GLU A 971 1.590 -7.169 -11.804 1.00 0.00 O ATOM 882 OE2 GLU A 971 0.771 -8.195 -13.603 1.00 0.00 O ATOM 0 H GLU A 971 -1.861 -7.325 -9.481 1.00 0.00 H new ATOM 0 HA GLU A 971 -1.916 -10.097 -10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 971 0.457 -8.256 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 971 0.480 -9.798 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.148 -8.894 -12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -1.123 -7.346 -11.395 1.00 0.00 H new ATOM 889 N SER A 972 -1.106 -9.248 -7.141 1.00 0.00 N ATOM 890 CA SER A 972 -0.775 -9.744 -5.816 1.00 0.00 C ATOM 891 C SER A 972 -1.977 -10.476 -5.215 1.00 0.00 C ATOM 892 O SER A 972 -1.811 -11.402 -4.423 1.00 0.00 O ATOM 893 CB SER A 972 -0.333 -8.604 -4.896 1.00 0.00 C ATOM 894 OG SER A 972 1.077 -8.597 -4.693 1.00 0.00 O ATOM 0 H SER A 972 -1.415 -8.276 -7.168 1.00 0.00 H new ATOM 0 HA SER A 972 0.057 -10.442 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 972 -0.642 -7.651 -5.326 1.00 0.00 H new ATOM 0 HB3 SER A 972 -0.837 -8.698 -3.934 1.00 0.00 H new ATOM 0 HG SER A 972 1.269 -8.524 -3.735 1.00 0.00 H new ATOM 900 N LEU A 973 -3.159 -10.032 -5.615 1.00 0.00 N ATOM 901 CA LEU A 973 -4.388 -10.634 -5.126 1.00 0.00 C ATOM 902 C LEU A 973 -4.199 -12.148 -5.010 1.00 0.00 C ATOM 903 O LEU A 973 -4.460 -12.731 -3.959 1.00 0.00 O ATOM 904 CB LEU A 973 -5.571 -10.227 -6.007 1.00 0.00 C ATOM 905 CG LEU A 973 -6.767 -9.609 -5.281 1.00 0.00 C ATOM 906 CD1 LEU A 973 -8.085 -10.051 -5.920 1.00 0.00 C ATOM 907 CD2 LEU A 973 -6.722 -9.923 -3.784 1.00 0.00 C ATOM 0 H LEU A 973 -3.292 -9.263 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 973 -4.622 -10.265 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -5.216 -9.515 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -5.916 -11.108 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 973 -6.707 -8.526 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -8.919 -9.597 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -8.108 -9.734 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -8.168 -11.137 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -7.584 -9.472 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -6.745 -11.003 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -5.806 -9.518 -3.355 1.00 0.00 H new ATOM 919 N PRO A 974 -3.735 -12.757 -6.135 1.00 0.00 N ATOM 920 CA PRO A 974 -3.509 -14.191 -6.169 1.00 0.00 C ATOM 921 C PRO A 974 -2.239 -14.564 -5.401 1.00 0.00 C ATOM 922 O PRO A 974 -2.186 -15.607 -4.751 1.00 0.00 O ATOM 923 CB PRO A 974 -3.434 -14.542 -7.646 1.00 0.00 C ATOM 924 CG PRO A 974 -3.157 -13.236 -8.372 1.00 0.00 C ATOM 925 CD PRO A 974 -3.416 -12.098 -7.398 1.00 0.00 C ATOM 0 HA PRO A 974 -4.303 -14.754 -5.679 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -2.644 -15.269 -7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.367 -14.989 -7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -2.127 -13.208 -8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -3.799 -13.142 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -2.542 -11.455 -7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.239 -11.468 -7.735 1.00 0.00 H new ATOM 933 N VAL A 975 -1.247 -13.692 -5.502 1.00 0.00 N ATOM 934 CA VAL A 975 0.019 -13.917 -4.826 1.00 0.00 C ATOM 935 C VAL A 975 -0.248 -14.304 -3.370 1.00 0.00 C ATOM 936 O VAL A 975 0.509 -15.073 -2.779 1.00 0.00 O ATOM 937 CB VAL A 975 0.912 -12.682 -4.962 1.00 0.00 C ATOM 938 CG1 VAL A 975 2.119 -12.772 -4.026 1.00 0.00 C ATOM 939 CG2 VAL A 975 1.357 -12.484 -6.413 1.00 0.00 C ATOM 0 H VAL A 975 -1.294 -12.828 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 975 0.558 -14.744 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 975 0.326 -11.811 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 975 2.737 -11.882 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.775 -12.842 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.706 -13.656 -4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 975 1.990 -11.600 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.917 -13.358 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.481 -12.353 -7.048 1.00 0.00 H new ATOM 949 N LEU A 976 -1.326 -13.752 -2.832 1.00 0.00 N ATOM 950 CA LEU A 976 -1.702 -14.030 -1.456 1.00 0.00 C ATOM 951 C LEU A 976 -2.981 -14.868 -1.441 1.00 0.00 C ATOM 952 O LEU A 976 -3.721 -14.897 -2.424 1.00 0.00 O ATOM 953 CB LEU A 976 -1.809 -12.729 -0.657 1.00 0.00 C ATOM 954 CG LEU A 976 -0.559 -11.848 -0.640 1.00 0.00 C ATOM 955 CD1 LEU A 976 0.654 -12.626 -0.125 1.00 0.00 C ATOM 956 CD2 LEU A 976 -0.302 -11.232 -2.017 1.00 0.00 C ATOM 0 H LEU A 976 -1.951 -13.114 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 976 -0.929 -14.618 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -2.636 -12.145 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -2.068 -12.978 0.372 1.00 0.00 H new ATOM 0 HG LEU A 976 -0.732 -11.025 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 976 1.529 -11.976 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 976 0.459 -12.975 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 976 0.839 -13.482 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 976 0.593 -10.610 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -0.159 -12.026 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -1.156 -10.620 -2.307 1.00 0.00 H new ATOM 968 N PRO A 977 -3.210 -15.548 -0.285 1.00 0.00 N ATOM 969 CA PRO A 977 -4.387 -16.384 -0.129 1.00 0.00 C ATOM 970 C PRO A 977 -5.641 -15.533 0.083 1.00 0.00 C ATOM 971 O PRO A 977 -5.566 -14.439 0.640 1.00 0.00 O ATOM 972 CB PRO A 977 -4.075 -17.287 1.053 1.00 0.00 C ATOM 973 CG PRO A 977 -2.937 -16.612 1.803 1.00 0.00 C ATOM 974 CD PRO A 977 -2.356 -15.537 0.899 1.00 0.00 C ATOM 0 HA PRO A 977 -4.603 -16.975 -1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 977 -4.948 -17.407 1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 977 -3.786 -18.283 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 977 -3.300 -16.174 2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 977 -2.171 -17.340 2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 977 -2.366 -14.562 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 977 -1.319 -15.754 0.642 1.00 0.00 H new ATOM 982 N ALA A 978 -6.764 -16.067 -0.373 1.00 0.00 N ATOM 983 CA ALA A 978 -8.032 -15.370 -0.241 1.00 0.00 C ATOM 984 C ALA A 978 -8.204 -14.903 1.206 1.00 0.00 C ATOM 985 O ALA A 978 -8.949 -13.963 1.475 1.00 0.00 O ATOM 986 CB ALA A 978 -9.169 -16.287 -0.696 1.00 0.00 C ATOM 0 H ALA A 978 -6.822 -16.975 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 978 -8.052 -14.486 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 978 -10.120 -15.764 -0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 978 -9.016 -16.567 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 978 -9.182 -17.184 -0.077 1.00 0.00 H new ATOM 992 N SER A 979 -7.500 -15.582 2.101 1.00 0.00 N ATOM 993 CA SER A 979 -7.565 -15.249 3.514 1.00 0.00 C ATOM 994 C SER A 979 -7.518 -13.730 3.695 1.00 0.00 C ATOM 995 O SER A 979 -8.078 -13.198 4.653 1.00 0.00 O ATOM 996 CB SER A 979 -6.425 -15.912 4.289 1.00 0.00 C ATOM 997 OG SER A 979 -5.151 -15.406 3.901 1.00 0.00 O ATOM 0 H SER A 979 -6.882 -16.361 1.875 1.00 0.00 H new ATOM 0 HA SER A 979 -8.506 -15.627 3.913 1.00 0.00 H new ATOM 0 HB2 SER A 979 -6.570 -15.749 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 979 -6.453 -16.989 4.124 1.00 0.00 H new ATOM 0 HG SER A 979 -4.467 -15.731 4.523 1.00 0.00 H new ATOM 1003 N THR A 980 -6.844 -13.075 2.761 1.00 0.00 N ATOM 1004 CA THR A 980 -6.716 -11.629 2.806 1.00 0.00 C ATOM 1005 C THR A 980 -7.395 -10.995 1.591 1.00 0.00 C ATOM 1006 O THR A 980 -6.828 -10.113 0.947 1.00 0.00 O ATOM 1007 CB THR A 980 -5.229 -11.289 2.918 1.00 0.00 C ATOM 1008 OG1 THR A 980 -5.193 -9.865 2.870 1.00 0.00 O ATOM 1009 CG2 THR A 980 -4.435 -11.722 1.683 1.00 0.00 C ATOM 0 H THR A 980 -6.381 -13.520 1.968 1.00 0.00 H new ATOM 0 HA THR A 980 -7.225 -11.214 3.676 1.00 0.00 H new ATOM 0 HB THR A 980 -4.814 -11.768 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 980 -4.265 -9.559 2.938 1.00 0.00 H new ATOM 0 HG21 THR A 980 -3.386 -11.457 1.814 1.00 0.00 H new ATOM 0 HG22 THR A 980 -4.524 -12.801 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 980 -4.829 -11.217 0.801 1.00 0.00 H new ATOM 1017 N HIS A 981 -8.601 -11.469 1.313 1.00 0.00 N ATOM 1018 CA HIS A 981 -9.363 -10.960 0.185 1.00 0.00 C ATOM 1019 C HIS A 981 -10.043 -9.646 0.577 1.00 0.00 C ATOM 1020 O HIS A 981 -9.525 -8.567 0.293 1.00 0.00 O ATOM 1021 CB HIS A 981 -10.353 -12.011 -0.321 1.00 0.00 C ATOM 1022 CG HIS A 981 -9.946 -12.662 -1.621 1.00 0.00 C ATOM 1023 ND1 HIS A 981 -10.621 -13.742 -2.162 1.00 0.00 N ATOM 1024 CD2 HIS A 981 -8.927 -12.375 -2.481 1.00 0.00 C ATOM 1025 CE1 HIS A 981 -10.026 -14.082 -3.296 1.00 0.00 C ATOM 1026 NE2 HIS A 981 -8.976 -13.233 -3.492 1.00 0.00 N ATOM 0 H HIS A 981 -9.069 -12.200 1.849 1.00 0.00 H new ATOM 0 HA HIS A 981 -8.691 -10.748 -0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 981 -10.468 -12.783 0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 981 -11.329 -11.543 -0.451 1.00 0.00 H new ATOM 0 HD2 HIS A 981 -8.203 -11.583 -2.360 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -10.320 -14.889 -3.950 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -8.335 -13.254 -4.285 1.00 0.00 H new ATOM 1034 N ARG A 982 -11.192 -9.780 1.222 1.00 0.00 N ATOM 1035 CA ARG A 982 -11.947 -8.618 1.656 1.00 0.00 C ATOM 1036 C ARG A 982 -11.003 -7.540 2.192 1.00 0.00 C ATOM 1037 O ARG A 982 -10.923 -6.447 1.634 1.00 0.00 O ATOM 1038 CB ARG A 982 -12.955 -8.990 2.745 1.00 0.00 C ATOM 1039 CG ARG A 982 -13.832 -7.792 3.114 1.00 0.00 C ATOM 1040 CD ARG A 982 -14.742 -7.399 1.949 1.00 0.00 C ATOM 1041 NE ARG A 982 -15.735 -8.468 1.700 1.00 0.00 N ATOM 1042 CZ ARG A 982 -16.490 -8.549 0.596 1.00 0.00 C ATOM 1043 NH1 ARG A 982 -16.370 -7.626 -0.368 1.00 0.00 N ATOM 1044 NH2 ARG A 982 -17.365 -9.554 0.456 1.00 0.00 N ATOM 0 H ARG A 982 -11.619 -10.677 1.455 1.00 0.00 H new ATOM 0 HA ARG A 982 -12.489 -8.234 0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 982 -13.582 -9.811 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 982 -12.426 -9.344 3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 982 -14.438 -8.035 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 982 -13.202 -6.946 3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 982 -15.252 -6.463 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 982 -14.146 -7.229 1.052 1.00 0.00 H new ATOM 0 HE ARG A 982 -15.852 -9.188 2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 982 -15.704 -6.861 -0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 982 -16.945 -7.688 -1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 982 -17.456 -10.257 1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 982 -17.940 -9.616 -0.384 1.00 0.00 H new ATOM 1058 N GLU A 983 -10.311 -7.887 3.267 1.00 0.00 N ATOM 1059 CA GLU A 983 -9.375 -6.963 3.884 1.00 0.00 C ATOM 1060 C GLU A 983 -8.618 -6.178 2.811 1.00 0.00 C ATOM 1061 O GLU A 983 -8.558 -4.950 2.861 1.00 0.00 O ATOM 1062 CB GLU A 983 -8.405 -7.701 4.810 1.00 0.00 C ATOM 1063 CG GLU A 983 -9.141 -8.298 6.011 1.00 0.00 C ATOM 1064 CD GLU A 983 -8.223 -9.221 6.813 1.00 0.00 C ATOM 1065 OE1 GLU A 983 -7.501 -8.688 7.683 1.00 0.00 O ATOM 1066 OE2 GLU A 983 -8.263 -10.440 6.539 1.00 0.00 O ATOM 0 H GLU A 983 -10.380 -8.795 3.726 1.00 0.00 H new ATOM 0 HA GLU A 983 -9.940 -6.257 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 983 -7.901 -8.494 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 983 -7.633 -7.014 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 983 -9.507 -7.497 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 983 -10.013 -8.855 5.668 1.00 0.00 H new ATOM 1073 N ILE A 984 -8.058 -6.919 1.866 1.00 0.00 N ATOM 1074 CA ILE A 984 -7.307 -6.307 0.782 1.00 0.00 C ATOM 1075 C ILE A 984 -8.243 -5.426 -0.047 1.00 0.00 C ATOM 1076 O ILE A 984 -7.880 -4.313 -0.425 1.00 0.00 O ATOM 1077 CB ILE A 984 -6.583 -7.377 -0.038 1.00 0.00 C ATOM 1078 CG1 ILE A 984 -5.246 -7.749 0.606 1.00 0.00 C ATOM 1079 CG2 ILE A 984 -6.415 -6.932 -1.492 1.00 0.00 C ATOM 1080 CD1 ILE A 984 -4.568 -8.889 -0.157 1.00 0.00 C ATOM 0 H ILE A 984 -8.109 -7.937 1.828 1.00 0.00 H new ATOM 0 HA ILE A 984 -6.526 -5.658 1.178 1.00 0.00 H new ATOM 0 HB ILE A 984 -7.198 -8.277 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -4.591 -6.878 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -5.408 -8.046 1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -5.898 -7.710 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -7.396 -6.757 -1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -5.832 -6.012 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -3.620 -9.134 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -5.215 -9.766 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -4.386 -8.580 -1.186 1.00 0.00 H new ATOM 1092 N GLU A 985 -9.429 -5.957 -0.306 1.00 0.00 N ATOM 1093 CA GLU A 985 -10.420 -5.232 -1.083 1.00 0.00 C ATOM 1094 C GLU A 985 -10.834 -3.952 -0.354 1.00 0.00 C ATOM 1095 O GLU A 985 -11.133 -2.941 -0.988 1.00 0.00 O ATOM 1096 CB GLU A 985 -11.635 -6.112 -1.380 1.00 0.00 C ATOM 1097 CG GLU A 985 -12.071 -5.972 -2.839 1.00 0.00 C ATOM 1098 CD GLU A 985 -13.402 -5.224 -2.945 1.00 0.00 C ATOM 1099 OE1 GLU A 985 -14.339 -5.627 -2.222 1.00 0.00 O ATOM 1100 OE2 GLU A 985 -13.453 -4.266 -3.746 1.00 0.00 O ATOM 0 H GLU A 985 -9.726 -6.881 0.008 1.00 0.00 H new ATOM 0 HA GLU A 985 -9.973 -4.954 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 985 -11.395 -7.154 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 985 -12.459 -5.834 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 985 -11.305 -5.439 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 985 -12.168 -6.960 -3.290 1.00 0.00 H new ATOM 1107 N MET A 986 -10.839 -4.037 0.968 1.00 0.00 N ATOM 1108 CA MET A 986 -11.212 -2.899 1.790 1.00 0.00 C ATOM 1109 C MET A 986 -10.036 -1.935 1.958 1.00 0.00 C ATOM 1110 O MET A 986 -10.232 -0.749 2.220 1.00 0.00 O ATOM 1111 CB MET A 986 -11.670 -3.390 3.165 1.00 0.00 C ATOM 1112 CG MET A 986 -13.181 -3.632 3.185 1.00 0.00 C ATOM 1113 SD MET A 986 -13.794 -3.527 4.858 1.00 0.00 S ATOM 1114 CE MET A 986 -14.134 -1.777 4.955 1.00 0.00 C ATOM 0 H MET A 986 -10.590 -4.877 1.490 1.00 0.00 H new ATOM 0 HA MET A 986 -12.025 -2.368 1.295 1.00 0.00 H new ATOM 0 HB2 MET A 986 -11.147 -4.312 3.419 1.00 0.00 H new ATOM 0 HB3 MET A 986 -11.406 -2.654 3.925 1.00 0.00 H new ATOM 0 HG2 MET A 986 -13.684 -2.896 2.558 1.00 0.00 H new ATOM 0 HG3 MET A 986 -13.406 -4.613 2.767 1.00 0.00 H new ATOM 0 HE1 MET A 986 -14.527 -1.537 5.943 1.00 0.00 H new ATOM 0 HE2 MET A 986 -13.214 -1.218 4.785 1.00 0.00 H new ATOM 0 HE3 MET A 986 -14.869 -1.507 4.197 1.00 0.00 H new ATOM 1124 N ALA A 987 -8.838 -2.480 1.799 1.00 0.00 N ATOM 1125 CA ALA A 987 -7.630 -1.683 1.930 1.00 0.00 C ATOM 1126 C ALA A 987 -7.391 -0.911 0.631 1.00 0.00 C ATOM 1127 O ALA A 987 -6.664 0.081 0.620 1.00 0.00 O ATOM 1128 CB ALA A 987 -6.455 -2.593 2.292 1.00 0.00 C ATOM 0 H ALA A 987 -8.679 -3.464 1.581 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.736 -0.953 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.549 -1.995 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.662 -3.096 3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -6.316 -3.337 1.508 1.00 0.00 H new ATOM 1134 N GLN A 988 -8.016 -1.395 -0.432 1.00 0.00 N ATOM 1135 CA GLN A 988 -7.880 -0.763 -1.733 1.00 0.00 C ATOM 1136 C GLN A 988 -8.801 0.455 -1.830 1.00 0.00 C ATOM 1137 O GLN A 988 -8.361 1.542 -2.201 1.00 0.00 O ATOM 1138 CB GLN A 988 -8.167 -1.758 -2.859 1.00 0.00 C ATOM 1139 CG GLN A 988 -7.028 -2.770 -3.000 1.00 0.00 C ATOM 1140 CD GLN A 988 -6.222 -2.514 -4.275 1.00 0.00 C ATOM 1141 OE1 GLN A 988 -5.112 -2.009 -4.247 1.00 0.00 O ATOM 1142 NE2 GLN A 988 -6.841 -2.891 -5.390 1.00 0.00 N ATOM 0 H GLN A 988 -8.618 -2.218 -0.419 1.00 0.00 H new ATOM 0 HA GLN A 988 -6.850 -0.425 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -9.101 -2.282 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 988 -8.300 -1.221 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -6.372 -2.708 -2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 988 -7.435 -3.781 -3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -7.771 -3.308 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -6.386 -2.763 -6.294 1.00 0.00 H new ATOM 1151 N LYS A 989 -10.062 0.232 -1.489 1.00 0.00 N ATOM 1152 CA LYS A 989 -11.049 1.298 -1.533 1.00 0.00 C ATOM 1153 C LYS A 989 -10.592 2.448 -0.633 1.00 0.00 C ATOM 1154 O LYS A 989 -10.689 3.614 -1.012 1.00 0.00 O ATOM 1155 CB LYS A 989 -12.437 0.758 -1.184 1.00 0.00 C ATOM 1156 CG LYS A 989 -13.523 1.481 -1.983 1.00 0.00 C ATOM 1157 CD LYS A 989 -14.031 2.711 -1.228 1.00 0.00 C ATOM 1158 CE LYS A 989 -15.367 2.419 -0.540 1.00 0.00 C ATOM 1159 NZ LYS A 989 -15.617 3.399 0.541 1.00 0.00 N ATOM 0 H LYS A 989 -10.423 -0.671 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 989 -11.133 1.698 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 989 -12.478 -0.311 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 989 -12.622 0.882 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 989 -13.126 1.783 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 989 -14.352 0.800 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 989 -13.294 3.016 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 989 -14.149 3.544 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 989 -16.175 2.459 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 989 -15.359 1.409 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 -16.527 3.187 0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 -14.854 3.341 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 -15.646 4.358 0.140 1.00 0.00 H new ATOM 1173 N LEU A 990 -10.103 2.079 0.542 1.00 0.00 N ATOM 1174 CA LEU A 990 -9.631 3.064 1.499 1.00 0.00 C ATOM 1175 C LEU A 990 -8.507 3.887 0.865 1.00 0.00 C ATOM 1176 O LEU A 990 -8.566 5.115 0.849 1.00 0.00 O ATOM 1177 CB LEU A 990 -9.233 2.388 2.812 1.00 0.00 C ATOM 1178 CG LEU A 990 -9.536 3.173 4.090 1.00 0.00 C ATOM 1179 CD1 LEU A 990 -9.116 2.384 5.332 1.00 0.00 C ATOM 1180 CD2 LEU A 990 -8.892 4.560 4.048 1.00 0.00 C ATOM 0 H LEU A 990 -10.024 1.111 0.853 1.00 0.00 H new ATOM 0 HA LEU A 990 -10.430 3.759 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 990 -9.742 1.426 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 990 -8.163 2.181 2.781 1.00 0.00 H new ATOM 0 HG LEU A 990 -10.614 3.320 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 990 -9.343 2.965 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 990 -9.660 1.440 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 990 -8.045 2.184 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 990 -9.123 5.096 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 990 -7.811 4.457 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 990 -9.282 5.117 3.196 1.00 0.00 H new ATOM 1192 N LEU A 991 -7.510 3.176 0.359 1.00 0.00 N ATOM 1193 CA LEU A 991 -6.375 3.825 -0.274 1.00 0.00 C ATOM 1194 C LEU A 991 -6.881 4.863 -1.277 1.00 0.00 C ATOM 1195 O LEU A 991 -6.501 6.031 -1.212 1.00 0.00 O ATOM 1196 CB LEU A 991 -5.436 2.784 -0.887 1.00 0.00 C ATOM 1197 CG LEU A 991 -4.146 3.326 -1.506 1.00 0.00 C ATOM 1198 CD1 LEU A 991 -3.467 4.328 -0.570 1.00 0.00 C ATOM 1199 CD2 LEU A 991 -3.207 2.185 -1.903 1.00 0.00 C ATOM 0 H LEU A 991 -7.465 2.157 0.375 1.00 0.00 H new ATOM 0 HA LEU A 991 -5.780 4.360 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 991 -5.170 2.064 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 991 -5.983 2.238 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 991 -4.404 3.863 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -2.553 4.698 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 991 -4.141 5.163 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -3.223 3.838 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -2.298 2.597 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -2.952 1.600 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -3.702 1.544 -2.632 1.00 0.00 H new ATOM 1211 N ASN A 992 -7.730 4.400 -2.182 1.00 0.00 N ATOM 1212 CA ASN A 992 -8.292 5.274 -3.198 1.00 0.00 C ATOM 1213 C ASN A 992 -8.976 6.463 -2.520 1.00 0.00 C ATOM 1214 O ASN A 992 -8.542 7.603 -2.673 1.00 0.00 O ATOM 1215 CB ASN A 992 -9.341 4.541 -4.037 1.00 0.00 C ATOM 1216 CG ASN A 992 -9.152 4.833 -5.527 1.00 0.00 C ATOM 1217 OD1 ASN A 992 -8.068 5.142 -5.993 1.00 0.00 O ATOM 1218 ND2 ASN A 992 -10.266 4.717 -6.246 1.00 0.00 N ATOM 0 H ASN A 992 -8.043 3.430 -2.233 1.00 0.00 H new ATOM 0 HA ASN A 992 -7.479 5.604 -3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 992 -9.268 3.468 -3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 992 -10.340 4.848 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 992 -10.245 4.891 -7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 992 -11.141 4.454 -5.792 1.00 0.00 H new ATOM 1225 N SER A 993 -10.036 6.155 -1.786 1.00 0.00 N ATOM 1226 CA SER A 993 -10.784 7.184 -1.084 1.00 0.00 C ATOM 1227 C SER A 993 -9.823 8.202 -0.467 1.00 0.00 C ATOM 1228 O SER A 993 -9.921 9.398 -0.738 1.00 0.00 O ATOM 1229 CB SER A 993 -11.677 6.574 -0.002 1.00 0.00 C ATOM 1230 OG SER A 993 -12.945 7.220 0.070 1.00 0.00 O ATOM 0 H SER A 993 -10.394 5.208 -1.663 1.00 0.00 H new ATOM 0 HA SER A 993 -11.426 7.691 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 993 -11.822 5.513 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 993 -11.177 6.647 0.964 1.00 0.00 H new ATOM 0 HG SER A 993 -13.486 6.801 0.771 1.00 0.00 H new ATOM 1236 N ASP A 994 -8.914 7.690 0.351 1.00 0.00 N ATOM 1237 CA ASP A 994 -7.936 8.539 1.008 1.00 0.00 C ATOM 1238 C ASP A 994 -7.066 9.221 -0.050 1.00 0.00 C ATOM 1239 O ASP A 994 -6.654 10.367 0.125 1.00 0.00 O ATOM 1240 CB ASP A 994 -7.019 7.720 1.918 1.00 0.00 C ATOM 1241 CG ASP A 994 -7.158 8.016 3.413 1.00 0.00 C ATOM 1242 OD1 ASP A 994 -7.654 9.119 3.729 1.00 0.00 O ATOM 1243 OD2 ASP A 994 -6.766 7.132 4.205 1.00 0.00 O ATOM 0 H ASP A 994 -8.835 6.698 0.573 1.00 0.00 H new ATOM 0 HA ASP A 994 -8.475 9.274 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 994 -7.219 6.661 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 994 -5.985 7.899 1.622 1.00 0.00 H new ATOM 1248 N LEU A 995 -6.813 8.488 -1.124 1.00 0.00 N ATOM 1249 CA LEU A 995 -6.000 9.008 -2.210 1.00 0.00 C ATOM 1250 C LEU A 995 -6.637 10.290 -2.751 1.00 0.00 C ATOM 1251 O LEU A 995 -6.022 11.354 -2.720 1.00 0.00 O ATOM 1252 CB LEU A 995 -5.780 7.934 -3.277 1.00 0.00 C ATOM 1253 CG LEU A 995 -5.956 8.384 -4.728 1.00 0.00 C ATOM 1254 CD1 LEU A 995 -5.160 9.660 -5.008 1.00 0.00 C ATOM 1255 CD2 LEU A 995 -5.593 7.258 -5.699 1.00 0.00 C ATOM 0 H LEU A 995 -7.157 7.538 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 995 -5.007 9.273 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 995 -4.772 7.536 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 995 -6.471 7.113 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 995 -7.008 8.620 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -5.303 9.958 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -5.508 10.457 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -4.101 9.476 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -5.727 7.604 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -4.554 6.967 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 995 -6.240 6.399 -5.519 1.00 0.00 H new ATOM 1267 N ALA A 996 -7.863 10.145 -3.233 1.00 0.00 N ATOM 1268 CA ALA A 996 -8.591 11.278 -3.780 1.00 0.00 C ATOM 1269 C ALA A 996 -8.490 12.458 -2.812 1.00 0.00 C ATOM 1270 O ALA A 996 -8.159 13.571 -3.217 1.00 0.00 O ATOM 1271 CB ALA A 996 -10.040 10.870 -4.053 1.00 0.00 C ATOM 0 H ALA A 996 -8.370 9.260 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 996 -8.157 11.592 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 996 -10.586 11.720 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 996 -10.058 10.048 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 996 -10.510 10.552 -3.122 1.00 0.00 H new ATOM 1277 N GLU A 997 -8.781 12.175 -1.551 1.00 0.00 N ATOM 1278 CA GLU A 997 -8.727 13.199 -0.522 1.00 0.00 C ATOM 1279 C GLU A 997 -7.353 13.874 -0.515 1.00 0.00 C ATOM 1280 O GLU A 997 -7.244 15.065 -0.232 1.00 0.00 O ATOM 1281 CB GLU A 997 -9.057 12.614 0.853 1.00 0.00 C ATOM 1282 CG GLU A 997 -9.679 13.673 1.765 1.00 0.00 C ATOM 1283 CD GLU A 997 -11.192 13.479 1.878 1.00 0.00 C ATOM 1284 OE1 GLU A 997 -11.790 13.073 0.858 1.00 0.00 O ATOM 1285 OE2 GLU A 997 -11.717 13.741 2.982 1.00 0.00 O ATOM 0 H GLU A 997 -9.055 11.251 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 997 -9.480 13.954 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 997 -9.746 11.777 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 997 -8.150 12.221 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 997 -9.227 13.616 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 997 -9.465 14.667 1.373 1.00 0.00 H new ATOM 1292 N LEU A 998 -6.339 13.082 -0.831 1.00 0.00 N ATOM 1293 CA LEU A 998 -4.978 13.587 -0.866 1.00 0.00 C ATOM 1294 C LEU A 998 -4.789 14.449 -2.115 1.00 0.00 C ATOM 1295 O LEU A 998 -4.274 15.563 -2.034 1.00 0.00 O ATOM 1296 CB LEU A 998 -3.976 12.436 -0.756 1.00 0.00 C ATOM 1297 CG LEU A 998 -2.568 12.720 -1.283 1.00 0.00 C ATOM 1298 CD1 LEU A 998 -1.551 11.748 -0.680 1.00 0.00 C ATOM 1299 CD2 LEU A 998 -2.540 12.702 -2.812 1.00 0.00 C ATOM 0 H LEU A 998 -6.433 12.094 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 998 -4.788 14.228 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 998 -3.899 12.147 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 998 -4.378 11.578 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 998 -2.282 13.723 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.558 11.971 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 998 -1.546 11.853 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 998 -1.823 10.726 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -1.527 12.907 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 998 -2.856 11.722 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 998 -3.217 13.464 -3.197 1.00 0.00 H new ATOM 1311 N ILE A 999 -5.218 13.901 -3.243 1.00 0.00 N ATOM 1312 CA ILE A 999 -5.103 14.606 -4.509 1.00 0.00 C ATOM 1313 C ILE A 999 -5.795 15.966 -4.394 1.00 0.00 C ATOM 1314 O ILE A 999 -5.279 16.972 -4.879 1.00 0.00 O ATOM 1315 CB ILE A 999 -5.632 13.741 -5.654 1.00 0.00 C ATOM 1316 CG1 ILE A 999 -4.764 12.496 -5.846 1.00 0.00 C ATOM 1317 CG2 ILE A 999 -5.759 14.556 -6.943 1.00 0.00 C ATOM 1318 CD1 ILE A 999 -3.436 12.851 -6.517 1.00 0.00 C ATOM 0 H ILE A 999 -5.646 12.977 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 999 -4.056 14.799 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 999 -6.632 13.398 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -4.574 12.029 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 999 -5.299 11.766 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 999 -6.137 13.918 -7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 999 -6.449 15.384 -6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 999 -4.781 14.947 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -2.838 11.948 -6.641 1.00 0.00 H new ATOM 0 HD12 ILE A 999 -3.629 13.296 -7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -2.893 13.563 -5.895 1.00 0.00 H new ATOM 1330 N ASN A1000 -6.953 15.952 -3.751 1.00 0.00 N ATOM 1331 CA ASN A1000 -7.721 17.172 -3.567 1.00 0.00 C ATOM 1332 C ASN A1000 -6.945 18.127 -2.659 1.00 0.00 C ATOM 1333 O ASN A1000 -6.669 19.264 -3.038 1.00 0.00 O ATOM 1334 CB ASN A1000 -9.069 16.879 -2.904 1.00 0.00 C ATOM 1335 CG ASN A1000 -10.191 17.684 -3.562 1.00 0.00 C ATOM 1336 OD1 ASN A1000 -9.972 18.716 -4.176 1.00 0.00 O ATOM 1337 ND2 ASN A1000 -11.401 17.157 -3.402 1.00 0.00 N ATOM 0 H ASN A1000 -7.378 15.116 -3.351 1.00 0.00 H new ATOM 0 HA ASN A1000 -7.890 17.615 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN A1000 -9.290 15.814 -2.977 1.00 0.00 H new ATOM 0 HB3 ASN A1000 -9.017 17.122 -1.843 1.00 0.00 H new ATOM 0 HD21 ASN A1000 -12.216 17.619 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A1000 -11.514 16.290 -2.876 1.00 0.00 H new ATOM 1344 N LYS A1001 -6.613 17.630 -1.476 1.00 0.00 N ATOM 1345 CA LYS A1001 -5.874 18.425 -0.511 1.00 0.00 C ATOM 1346 C LYS A1001 -4.805 19.241 -1.240 1.00 0.00 C ATOM 1347 O LYS A1001 -4.464 20.344 -0.816 1.00 0.00 O ATOM 1348 CB LYS A1001 -5.315 17.534 0.601 1.00 0.00 C ATOM 1349 CG LYS A1001 -5.999 17.831 1.937 1.00 0.00 C ATOM 1350 CD LYS A1001 -7.127 16.833 2.209 1.00 0.00 C ATOM 1351 CE LYS A1001 -8.108 17.384 3.246 1.00 0.00 C ATOM 1352 NZ LYS A1001 -7.491 17.391 4.591 1.00 0.00 N ATOM 0 H LYS A1001 -6.843 16.686 -1.164 1.00 0.00 H new ATOM 0 HA LYS A1001 -6.536 19.136 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A1001 -5.460 16.486 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A1001 -4.241 17.694 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A1001 -5.266 17.786 2.743 1.00 0.00 H new ATOM 0 HG3 LYS A1001 -6.400 18.845 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A1001 -7.657 16.616 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A1001 -6.707 15.892 2.564 1.00 0.00 H new ATOM 0 HE2 LYS A1001 -8.407 18.396 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A1001 -9.013 16.777 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 -8.170 17.768 5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 -7.228 16.421 4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 -6.641 17.989 4.580 1.00 0.00 H new ATOM 1366 N MET A1002 -4.306 18.667 -2.325 1.00 0.00 N ATOM 1367 CA MET A1002 -3.282 19.327 -3.118 1.00 0.00 C ATOM 1368 C MET A1002 -3.899 20.377 -4.045 1.00 0.00 C ATOM 1369 O MET A1002 -3.472 21.530 -4.053 1.00 0.00 O ATOM 1370 CB MET A1002 -2.532 18.287 -3.952 1.00 0.00 C ATOM 1371 CG MET A1002 -1.633 18.962 -4.990 1.00 0.00 C ATOM 1372 SD MET A1002 -2.101 18.444 -6.633 1.00 0.00 S ATOM 1373 CE MET A1002 -2.773 19.974 -7.260 1.00 0.00 C ATOM 0 H MET A1002 -4.592 17.752 -2.674 1.00 0.00 H new ATOM 0 HA MET A1002 -2.591 19.828 -2.440 1.00 0.00 H new ATOM 0 HB2 MET A1002 -1.929 17.657 -3.298 1.00 0.00 H new ATOM 0 HB3 MET A1002 -3.246 17.634 -4.454 1.00 0.00 H new ATOM 0 HG2 MET A1002 -1.715 20.046 -4.904 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.590 18.705 -4.802 1.00 0.00 H new ATOM 0 HE1 MET A1002 -3.827 19.837 -7.501 1.00 0.00 H new ATOM 0 HE2 MET A1002 -2.672 20.753 -6.504 1.00 0.00 H new ATOM 0 HE3 MET A1002 -2.231 20.268 -8.159 1.00 0.00 H new ATOM 1383 N LYS A1003 -4.894 19.939 -4.802 1.00 0.00 N ATOM 1384 CA LYS A1003 -5.574 20.827 -5.730 1.00 0.00 C ATOM 1385 C LYS A1003 -5.968 22.114 -5.003 1.00 0.00 C ATOM 1386 O LYS A1003 -6.150 23.156 -5.631 1.00 0.00 O ATOM 1387 CB LYS A1003 -6.752 20.109 -6.392 1.00 0.00 C ATOM 1388 CG LYS A1003 -6.397 19.668 -7.814 1.00 0.00 C ATOM 1389 CD LYS A1003 -7.608 19.051 -8.515 1.00 0.00 C ATOM 1390 CE LYS A1003 -7.808 17.596 -8.086 1.00 0.00 C ATOM 1391 NZ LYS A1003 -9.249 17.293 -7.939 1.00 0.00 N ATOM 0 H LYS A1003 -5.246 18.982 -4.792 1.00 0.00 H new ATOM 0 HA LYS A1003 -4.906 21.112 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A1003 -7.033 19.240 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A1003 -7.618 20.771 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A1003 -6.039 20.524 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A1003 -5.583 18.944 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A1003 -8.502 19.629 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A1003 -7.471 19.100 -9.595 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -7.363 16.929 -8.824 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -7.294 17.415 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -9.367 16.302 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -9.663 17.918 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -9.730 17.446 -8.848 1.00 0.00 H new ATOM 1405 N LEU A1004 -6.089 21.999 -3.688 1.00 0.00 N ATOM 1406 CA LEU A1004 -6.459 23.141 -2.869 1.00 0.00 C ATOM 1407 C LEU A1004 -5.195 23.899 -2.458 1.00 0.00 C ATOM 1408 O LEU A1004 -5.169 25.129 -2.481 1.00 0.00 O ATOM 1409 CB LEU A1004 -7.319 22.694 -1.685 1.00 0.00 C ATOM 1410 CG LEU A1004 -8.445 21.710 -2.008 1.00 0.00 C ATOM 1411 CD1 LEU A1004 -8.976 21.047 -0.735 1.00 0.00 C ATOM 1412 CD2 LEU A1004 -9.559 22.393 -2.805 1.00 0.00 C ATOM 0 H LEU A1004 -5.937 21.133 -3.170 1.00 0.00 H new ATOM 0 HA LEU A1004 -7.077 23.835 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A1004 -6.667 22.238 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A1004 -7.758 23.580 -1.225 1.00 0.00 H new ATOM 0 HG LEU A1004 -8.037 20.919 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A1004 -9.775 20.352 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A1004 -8.168 20.505 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A1004 -9.363 21.811 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A1004 -10.347 21.671 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A1004 -9.971 23.216 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A1004 -9.153 22.779 -3.740 1.00 0.00 H new ATOM 1424 N ALA A1005 -4.176 23.134 -2.093 1.00 0.00 N ATOM 1425 CA ALA A1005 -2.912 23.718 -1.679 1.00 0.00 C ATOM 1426 C ALA A1005 -2.453 24.730 -2.731 1.00 0.00 C ATOM 1427 O ALA A1005 -1.662 25.624 -2.434 1.00 0.00 O ATOM 1428 CB ALA A1005 -1.886 22.606 -1.452 1.00 0.00 C ATOM 0 H ALA A1005 -4.201 22.114 -2.076 1.00 0.00 H new ATOM 0 HA ALA A1005 -3.027 24.253 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A1005 -0.937 23.044 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A1005 -2.246 21.932 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A1005 -1.742 22.049 -2.378 1.00 0.00 H new ATOM 1434 N GLN A1006 -2.970 24.555 -3.939 1.00 0.00 N ATOM 1435 CA GLN A1006 -2.623 25.441 -5.036 1.00 0.00 C ATOM 1436 C GLN A1006 -3.299 26.801 -4.854 1.00 0.00 C ATOM 1437 O GLN A1006 -2.715 27.836 -5.171 1.00 0.00 O ATOM 1438 CB GLN A1006 -2.997 24.819 -6.383 1.00 0.00 C ATOM 1439 CG GLN A1006 -2.455 25.655 -7.544 1.00 0.00 C ATOM 1440 CD GLN A1006 -1.097 25.127 -8.012 1.00 0.00 C ATOM 1441 OE1 GLN A1006 -0.421 24.381 -7.323 1.00 0.00 O ATOM 1442 NE2 GLN A1006 -0.738 25.554 -9.219 1.00 0.00 N ATOM 0 H GLN A1006 -3.626 23.813 -4.181 1.00 0.00 H new ATOM 0 HA GLN A1006 -1.543 25.590 -5.029 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -2.599 23.806 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -4.081 24.740 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -3.163 25.635 -8.373 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -2.358 26.695 -7.233 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -1.352 26.178 -9.743 1.00 0.00 H new ATOM 0 HE22 GLN A1006 0.151 25.258 -9.621 1.00 0.00 H new ATOM 1451 N GLN A1007 -4.521 26.755 -4.344 1.00 0.00 N ATOM 1452 CA GLN A1007 -5.283 27.971 -4.116 1.00 0.00 C ATOM 1453 C GLN A1007 -5.011 28.513 -2.711 1.00 0.00 C ATOM 1454 O GLN A1007 -4.920 29.723 -2.515 1.00 0.00 O ATOM 1455 CB GLN A1007 -6.778 27.730 -4.330 1.00 0.00 C ATOM 1456 CG GLN A1007 -7.456 28.971 -4.913 1.00 0.00 C ATOM 1457 CD GLN A1007 -8.975 28.896 -4.747 1.00 0.00 C ATOM 1458 OE1 GLN A1007 -9.581 27.839 -4.814 1.00 0.00 O ATOM 1459 NE2 GLN A1007 -9.554 30.073 -4.526 1.00 0.00 N ATOM 0 H GLN A1007 -5.002 25.895 -4.082 1.00 0.00 H new ATOM 0 HA GLN A1007 -4.962 28.718 -4.841 1.00 0.00 H new ATOM 0 HB2 GLN A1007 -6.921 26.884 -5.002 1.00 0.00 H new ATOM 0 HB3 GLN A1007 -7.247 27.467 -3.382 1.00 0.00 H new ATOM 0 HG2 GLN A1007 -7.076 29.864 -4.417 1.00 0.00 H new ATOM 0 HG3 GLN A1007 -7.206 29.063 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A1007 -8.987 30.920 -4.482 1.00 0.00 H new ATOM 0 HE22 GLN A1007 -10.565 30.129 -4.401 1.00 0.00 H new ATOM 1468 N TYR A1008 -4.888 27.589 -1.769 1.00 0.00 N ATOM 1469 CA TYR A1008 -4.628 27.958 -0.388 1.00 0.00 C ATOM 1470 C TYR A1008 -3.128 28.134 -0.141 1.00 0.00 C ATOM 1471 O TYR A1008 -2.597 27.640 0.853 1.00 0.00 O ATOM 1472 CB TYR A1008 -5.140 26.794 0.463 1.00 0.00 C ATOM 1473 CG TYR A1008 -6.664 26.720 0.564 1.00 0.00 C ATOM 1474 CD1 TYR A1008 -7.327 27.443 1.535 1.00 0.00 C ATOM 1475 CD2 TYR A1008 -7.377 25.931 -0.316 1.00 0.00 C ATOM 1476 CE1 TYR A1008 -8.763 27.374 1.630 1.00 0.00 C ATOM 1477 CE2 TYR A1008 -8.812 25.862 -0.221 1.00 0.00 C ATOM 1478 CZ TYR A1008 -9.434 26.587 0.748 1.00 0.00 C ATOM 1479 OH TYR A1008 -10.790 26.521 0.837 1.00 0.00 O ATOM 0 H TYR A1008 -4.964 26.585 -1.935 1.00 0.00 H new ATOM 0 HA TYR A1008 -5.117 28.901 -0.144 1.00 0.00 H new ATOM 0 HB2 TYR A1008 -4.768 25.859 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A1008 -4.723 26.880 1.467 1.00 0.00 H new ATOM 0 HD1 TYR A1008 -6.769 28.060 2.224 1.00 0.00 H new ATOM 0 HD2 TYR A1008 -6.858 25.365 -1.076 1.00 0.00 H new ATOM 0 HE1 TYR A1008 -9.294 27.935 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A1008 -9.382 25.249 -0.903 1.00 0.00 H new ATOM 0 HH TYR A1008 -11.135 25.921 0.143 1.00 0.00 H new ATOM 1489 N VAL A1009 -2.488 28.840 -1.061 1.00 0.00 N ATOM 1490 CA VAL A1009 -1.060 29.088 -0.956 1.00 0.00 C ATOM 1491 C VAL A1009 -0.777 30.557 -1.273 1.00 0.00 C ATOM 1492 O VAL A1009 -0.021 31.215 -0.561 1.00 0.00 O ATOM 1493 CB VAL A1009 -0.293 28.122 -1.861 1.00 0.00 C ATOM 1494 CG1 VAL A1009 -0.844 28.154 -3.288 1.00 0.00 C ATOM 1495 CG2 VAL A1009 1.206 28.429 -1.845 1.00 0.00 C ATOM 0 H VAL A1009 -2.932 29.249 -1.883 1.00 0.00 H new ATOM 0 HA VAL A1009 -0.714 28.903 0.061 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.433 27.114 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -0.281 27.459 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.895 27.865 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.749 29.162 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A1009 1.728 27.728 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A1009 1.373 29.446 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A1009 1.586 28.332 -0.828 1.00 0.00 H new ATOM 1505 N MET A1010 -1.400 31.029 -2.344 1.00 0.00 N ATOM 1506 CA MET A1010 -1.224 32.409 -2.764 1.00 0.00 C ATOM 1507 C MET A1010 -0.902 33.309 -1.570 1.00 0.00 C ATOM 1508 O MET A1010 0.260 33.631 -1.326 1.00 0.00 O ATOM 1509 CB MET A1010 -2.502 32.902 -3.445 1.00 0.00 C ATOM 1510 CG MET A1010 -3.734 32.190 -2.880 1.00 0.00 C ATOM 1511 SD MET A1010 -5.050 33.367 -2.615 1.00 0.00 S ATOM 1512 CE MET A1010 -5.975 32.516 -1.347 1.00 0.00 C ATOM 0 H MET A1010 -2.027 30.480 -2.933 1.00 0.00 H new ATOM 0 HA MET A1010 -0.389 32.453 -3.463 1.00 0.00 H new ATOM 0 HB2 MET A1010 -2.602 33.978 -3.303 1.00 0.00 H new ATOM 0 HB3 MET A1010 -2.437 32.727 -4.519 1.00 0.00 H new ATOM 0 HG2 MET A1010 -4.063 31.413 -3.570 1.00 0.00 H new ATOM 0 HG3 MET A1010 -3.481 31.697 -1.941 1.00 0.00 H new ATOM 0 HE1 MET A1010 -6.915 32.154 -1.763 1.00 0.00 H new ATOM 0 HE2 MET A1010 -5.393 31.672 -0.977 1.00 0.00 H new ATOM 0 HE3 MET A1010 -6.182 33.202 -0.526 1.00 0.00 H new ATOM 1522 N THR A1011 -1.951 33.690 -0.857 1.00 0.00 N ATOM 1523 CA THR A1011 -1.794 34.547 0.306 1.00 0.00 C ATOM 1524 C THR A1011 -0.644 34.049 1.184 1.00 0.00 C ATOM 1525 O THR A1011 0.439 34.632 1.184 1.00 0.00 O ATOM 1526 CB THR A1011 -3.137 34.602 1.037 1.00 0.00 C ATOM 1527 OG1 THR A1011 -2.786 34.890 2.388 1.00 0.00 O ATOM 1528 CG2 THR A1011 -3.819 33.235 1.113 1.00 0.00 C ATOM 0 H THR A1011 -2.913 33.421 -1.062 1.00 0.00 H new ATOM 0 HA THR A1011 -1.524 35.562 0.016 1.00 0.00 H new ATOM 0 HB THR A1011 -3.796 35.309 0.532 1.00 0.00 H new ATOM 0 HG1 THR A1011 -3.599 34.945 2.933 1.00 0.00 H new ATOM 0 HG21 THR A1011 -4.768 33.331 1.641 1.00 0.00 H new ATOM 0 HG22 THR A1011 -4.001 32.863 0.105 1.00 0.00 H new ATOM 0 HG23 THR A1011 -3.175 32.536 1.647 1.00 0.00 H new ATOM 1536 N SER A1012 -0.919 32.977 1.912 1.00 0.00 N ATOM 1537 CA SER A1012 0.079 32.394 2.793 1.00 0.00 C ATOM 1538 C SER A1012 -0.573 31.356 3.708 1.00 0.00 C ATOM 1539 O SER A1012 -0.154 31.180 4.851 1.00 0.00 O ATOM 1540 CB SER A1012 0.775 33.473 3.626 1.00 0.00 C ATOM 1541 OG SER A1012 -0.134 34.478 4.066 1.00 0.00 O ATOM 0 H SER A1012 -1.819 32.497 1.910 1.00 0.00 H new ATOM 0 HA SER A1012 0.834 31.904 2.178 1.00 0.00 H new ATOM 0 HB2 SER A1012 1.252 33.012 4.491 1.00 0.00 H new ATOM 0 HB3 SER A1012 1.566 33.934 3.034 1.00 0.00 H new ATOM 0 HG SER A1012 0.349 35.147 4.595 1.00 0.00 H new ATOM 1547 N LEU A1013 -1.588 30.694 3.171 1.00 0.00 N ATOM 1548 CA LEU A1013 -2.302 29.678 3.924 1.00 0.00 C ATOM 1549 C LEU A1013 -1.556 28.347 3.810 1.00 0.00 C ATOM 1550 O LEU A1013 -1.847 27.403 4.543 1.00 0.00 O ATOM 1551 CB LEU A1013 -3.762 29.604 3.475 1.00 0.00 C ATOM 1552 CG LEU A1013 -4.794 29.374 4.581 1.00 0.00 C ATOM 1553 CD1 LEU A1013 -4.505 30.263 5.793 1.00 0.00 C ATOM 1554 CD2 LEU A1013 -6.217 29.569 4.054 1.00 0.00 C ATOM 0 H LEU A1013 -1.933 30.842 2.222 1.00 0.00 H new ATOM 0 HA LEU A1013 -2.331 29.939 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A1013 -4.011 30.533 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A1013 -3.856 28.800 2.745 1.00 0.00 H new ATOM 0 HG LEU A1013 -4.713 28.339 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A1013 -5.253 30.080 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A1013 -3.515 30.032 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A1013 -4.542 31.310 5.493 1.00 0.00 H new ATOM 0 HD21 LEU A1013 -6.930 29.399 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A1013 -6.330 30.586 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A1013 -6.407 28.861 3.247 1.00 0.00 H new ATOM 1566 N GLN A1014 -0.607 28.314 2.886 1.00 0.00 N ATOM 1567 CA GLN A1014 0.183 27.114 2.667 1.00 0.00 C ATOM 1568 C GLN A1014 0.459 26.410 3.997 1.00 0.00 C ATOM 1569 O GLN A1014 -0.144 25.380 4.295 1.00 0.00 O ATOM 1570 CB GLN A1014 1.488 27.443 1.939 1.00 0.00 C ATOM 1571 CG GLN A1014 2.311 26.177 1.691 1.00 0.00 C ATOM 1572 CD GLN A1014 3.787 26.408 2.023 1.00 0.00 C ATOM 1573 OE1 GLN A1014 4.027 26.593 3.318 1.00 0.00 O flip ATOM 1574 NE2 GLN A1014 4.650 26.419 1.161 1.00 0.00 N flip ATOM 0 H GLN A1014 -0.367 29.099 2.280 1.00 0.00 H new ATOM 0 HA GLN A1014 -0.388 26.437 2.032 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.266 27.929 0.989 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.070 28.150 2.530 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.921 25.361 2.299 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.212 25.873 0.649 1.00 0.00 H new ATOM 0 HE21 GLN A1014 4.397 26.270 0.184 1.00 0.00 H new ATOM 0 HE22 GLN A1014 5.625 26.577 1.417 1.00 0.00 H new ATOM 1583 N GLN A1015 1.371 26.994 4.761 1.00 0.00 N ATOM 1584 CA GLN A1015 1.734 26.435 6.052 1.00 0.00 C ATOM 1585 C GLN A1015 0.520 25.773 6.704 1.00 0.00 C ATOM 1586 O GLN A1015 0.649 24.743 7.364 1.00 0.00 O ATOM 1587 CB GLN A1015 2.331 27.508 6.965 1.00 0.00 C ATOM 1588 CG GLN A1015 1.463 28.769 6.969 1.00 0.00 C ATOM 1589 CD GLN A1015 2.179 29.925 7.671 1.00 0.00 C ATOM 1590 OE1 GLN A1015 2.473 29.881 8.854 1.00 0.00 O ATOM 1591 NE2 GLN A1015 2.443 30.959 6.877 1.00 0.00 N ATOM 0 H GLN A1015 1.869 27.848 4.511 1.00 0.00 H new ATOM 0 HA GLN A1015 2.497 25.673 5.895 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.419 27.119 7.980 1.00 0.00 H new ATOM 0 HB3 GLN A1015 3.338 27.756 6.630 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.224 29.053 5.944 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.518 28.563 7.472 1.00 0.00 H new ATOM 0 HE21 GLN A1015 2.169 30.931 5.895 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.919 31.780 7.250 1.00 0.00 H new ATOM 1600 N GLU A1016 -0.634 26.391 6.498 1.00 0.00 N ATOM 1601 CA GLU A1016 -1.871 25.874 7.058 1.00 0.00 C ATOM 1602 C GLU A1016 -2.231 24.538 6.406 1.00 0.00 C ATOM 1603 O GLU A1016 -2.207 23.497 7.061 1.00 0.00 O ATOM 1604 CB GLU A1016 -3.009 26.885 6.900 1.00 0.00 C ATOM 1605 CG GLU A1016 -3.893 26.914 8.148 1.00 0.00 C ATOM 1606 CD GLU A1016 -5.038 27.916 7.986 1.00 0.00 C ATOM 1607 OE1 GLU A1016 -4.806 29.100 8.314 1.00 0.00 O ATOM 1608 OE2 GLU A1016 -6.118 27.476 7.539 1.00 0.00 O ATOM 0 H GLU A1016 -0.738 27.245 5.951 1.00 0.00 H new ATOM 0 HA GLU A1016 -1.722 25.707 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A1016 -2.596 27.877 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A1016 -3.611 26.627 6.029 1.00 0.00 H new ATOM 0 HG2 GLU A1016 -4.299 25.920 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A1016 -3.292 27.180 9.017 1.00 0.00 H new ATOM 1615 N TYR A1017 -2.557 24.610 5.123 1.00 0.00 N ATOM 1616 CA TYR A1017 -2.921 23.419 4.376 1.00 0.00 C ATOM 1617 C TYR A1017 -1.753 22.433 4.310 1.00 0.00 C ATOM 1618 O TYR A1017 -1.960 21.223 4.236 1.00 0.00 O ATOM 1619 CB TYR A1017 -3.251 23.894 2.959 1.00 0.00 C ATOM 1620 CG TYR A1017 -4.750 24.023 2.680 1.00 0.00 C ATOM 1621 CD1 TYR A1017 -5.472 25.051 3.251 1.00 0.00 C ATOM 1622 CD2 TYR A1017 -5.380 23.112 1.857 1.00 0.00 C ATOM 1623 CE1 TYR A1017 -6.883 25.173 2.987 1.00 0.00 C ATOM 1624 CE2 TYR A1017 -6.790 23.233 1.594 1.00 0.00 C ATOM 1625 CZ TYR A1017 -7.472 24.258 2.172 1.00 0.00 C ATOM 1626 OH TYR A1017 -8.804 24.372 1.923 1.00 0.00 O ATOM 0 H TYR A1017 -2.576 25.475 4.583 1.00 0.00 H new ATOM 0 HA TYR A1017 -3.758 22.909 4.853 1.00 0.00 H new ATOM 0 HB2 TYR A1017 -2.776 24.860 2.791 1.00 0.00 H new ATOM 0 HB3 TYR A1017 -2.817 23.197 2.243 1.00 0.00 H new ATOM 0 HD1 TYR A1017 -4.979 25.764 3.896 1.00 0.00 H new ATOM 0 HD2 TYR A1017 -4.815 22.308 1.410 1.00 0.00 H new ATOM 0 HE1 TYR A1017 -7.460 25.973 3.427 1.00 0.00 H new ATOM 0 HE2 TYR A1017 -7.295 22.526 0.952 1.00 0.00 H new ATOM 0 HH TYR A1017 -8.991 25.255 1.542 1.00 0.00 H new ATOM 1636 N LYS A1018 -0.550 22.988 4.341 1.00 0.00 N ATOM 1637 CA LYS A1018 0.652 22.173 4.286 1.00 0.00 C ATOM 1638 C LYS A1018 0.558 21.063 5.335 1.00 0.00 C ATOM 1639 O LYS A1018 0.759 19.890 5.022 1.00 0.00 O ATOM 1640 CB LYS A1018 1.899 23.048 4.426 1.00 0.00 C ATOM 1641 CG LYS A1018 2.922 22.723 3.335 1.00 0.00 C ATOM 1642 CD LYS A1018 4.027 21.812 3.872 1.00 0.00 C ATOM 1643 CE LYS A1018 3.478 20.423 4.207 1.00 0.00 C ATOM 1644 NZ LYS A1018 2.659 19.906 3.087 1.00 0.00 N ATOM 0 H LYS A1018 -0.382 23.992 4.403 1.00 0.00 H new ATOM 0 HA LYS A1018 0.739 21.687 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.619 24.100 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.347 22.894 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A1018 2.422 22.239 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A1018 3.360 23.646 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A1018 4.822 21.724 3.132 1.00 0.00 H new ATOM 0 HD3 LYS A1018 4.469 22.257 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A1018 4.302 19.739 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A1018 2.875 20.473 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 1.665 19.842 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 2.736 20.550 2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 3.000 18.962 2.814 1.00 0.00 H new ATOM 1658 N LYS A1019 0.253 21.472 6.557 1.00 0.00 N ATOM 1659 CA LYS A1019 0.130 20.527 7.654 1.00 0.00 C ATOM 1660 C LYS A1019 -1.025 19.566 7.366 1.00 0.00 C ATOM 1661 O LYS A1019 -0.922 18.369 7.630 1.00 0.00 O ATOM 1662 CB LYS A1019 -0.002 21.266 8.987 1.00 0.00 C ATOM 1663 CG LYS A1019 1.316 21.237 9.763 1.00 0.00 C ATOM 1664 CD LYS A1019 2.228 22.390 9.340 1.00 0.00 C ATOM 1665 CE LYS A1019 3.071 22.004 8.123 1.00 0.00 C ATOM 1666 NZ LYS A1019 4.511 22.016 8.464 1.00 0.00 N ATOM 0 H LYS A1019 0.087 22.446 6.812 1.00 0.00 H new ATOM 0 HA LYS A1019 1.034 19.924 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A1019 -0.299 22.299 8.806 1.00 0.00 H new ATOM 0 HB3 LYS A1019 -0.790 20.808 9.584 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.114 21.302 10.832 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.822 20.287 9.592 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.626 23.268 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.882 22.664 10.168 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.783 21.013 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A1019 2.879 22.699 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 5.068 21.752 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.786 22.969 8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 4.692 21.335 9.229 1.00 0.00 H new ATOM 1680 N GLN A1020 -2.099 20.126 6.830 1.00 0.00 N ATOM 1681 CA GLN A1020 -3.273 19.334 6.504 1.00 0.00 C ATOM 1682 C GLN A1020 -2.878 18.128 5.650 1.00 0.00 C ATOM 1683 O GLN A1020 -3.232 16.994 5.969 1.00 0.00 O ATOM 1684 CB GLN A1020 -4.329 20.185 5.796 1.00 0.00 C ATOM 1685 CG GLN A1020 -4.710 21.402 6.642 1.00 0.00 C ATOM 1686 CD GLN A1020 -5.118 20.981 8.055 1.00 0.00 C ATOM 1687 OE1 GLN A1020 -5.875 20.046 8.258 1.00 0.00 O ATOM 1688 NE2 GLN A1020 -4.576 21.722 9.018 1.00 0.00 N ATOM 0 H GLN A1020 -2.181 21.119 6.613 1.00 0.00 H new ATOM 0 HA GLN A1020 -3.711 18.969 7.433 1.00 0.00 H new ATOM 0 HB2 GLN A1020 -3.948 20.515 4.830 1.00 0.00 H new ATOM 0 HB3 GLN A1020 -5.216 19.582 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A1020 -3.868 22.092 6.693 1.00 0.00 H new ATOM 0 HG3 GLN A1020 -5.532 21.937 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A1020 -3.950 22.491 8.779 1.00 0.00 H new ATOM 0 HE22 GLN A1020 -4.787 21.521 9.996 1.00 0.00 H new ATOM 1697 N MET A1021 -2.151 18.413 4.580 1.00 0.00 N ATOM 1698 CA MET A1021 -1.705 17.365 3.677 1.00 0.00 C ATOM 1699 C MET A1021 -1.002 16.243 4.444 1.00 0.00 C ATOM 1700 O MET A1021 -1.275 15.066 4.216 1.00 0.00 O ATOM 1701 CB MET A1021 -0.744 17.957 2.644 1.00 0.00 C ATOM 1702 CG MET A1021 -1.247 17.706 1.221 1.00 0.00 C ATOM 1703 SD MET A1021 -1.222 15.957 0.864 1.00 0.00 S ATOM 1704 CE MET A1021 0.483 15.588 1.241 1.00 0.00 C ATOM 0 H MET A1021 -1.859 19.355 4.318 1.00 0.00 H new ATOM 0 HA MET A1021 -2.578 16.946 3.177 1.00 0.00 H new ATOM 0 HB2 MET A1021 -0.638 19.029 2.813 1.00 0.00 H new ATOM 0 HB3 MET A1021 0.245 17.516 2.767 1.00 0.00 H new ATOM 0 HG2 MET A1021 -2.260 18.094 1.111 1.00 0.00 H new ATOM 0 HG3 MET A1021 -0.622 18.240 0.506 1.00 0.00 H new ATOM 0 HE1 MET A1021 0.786 14.686 0.710 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.113 16.421 0.929 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.593 15.432 2.314 1.00 0.00 H new ATOM 1714 N LEU A1022 -0.113 16.648 5.339 1.00 0.00 N ATOM 1715 CA LEU A1022 0.631 15.691 6.141 1.00 0.00 C ATOM 1716 C LEU A1022 -0.351 14.763 6.859 1.00 0.00 C ATOM 1717 O LEU A1022 -0.118 13.558 6.950 1.00 0.00 O ATOM 1718 CB LEU A1022 1.594 16.416 7.083 1.00 0.00 C ATOM 1719 CG LEU A1022 3.014 15.852 7.154 1.00 0.00 C ATOM 1720 CD1 LEU A1022 4.052 16.947 6.903 1.00 0.00 C ATOM 1721 CD2 LEU A1022 3.252 15.130 8.482 1.00 0.00 C ATOM 0 H LEU A1022 0.109 17.626 5.527 1.00 0.00 H new ATOM 0 HA LEU A1022 1.256 15.064 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.654 17.460 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.168 16.403 8.086 1.00 0.00 H new ATOM 0 HG LEU A1022 3.128 15.113 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A1022 5.053 16.519 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A1022 3.896 17.376 5.913 1.00 0.00 H new ATOM 0 HD13 LEU A1022 3.948 17.727 7.657 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.269 14.739 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.112 15.829 9.306 1.00 0.00 H new ATOM 0 HD23 LEU A1022 2.544 14.307 8.581 1.00 0.00 H new ATOM 1733 N THR A1023 -1.427 15.359 7.351 1.00 0.00 N ATOM 1734 CA THR A1023 -2.445 14.600 8.058 1.00 0.00 C ATOM 1735 C THR A1023 -2.897 13.403 7.219 1.00 0.00 C ATOM 1736 O THR A1023 -3.033 12.295 7.735 1.00 0.00 O ATOM 1737 CB THR A1023 -3.584 15.557 8.416 1.00 0.00 C ATOM 1738 OG1 THR A1023 -2.925 16.783 8.720 1.00 0.00 O ATOM 1739 CG2 THR A1023 -4.281 15.174 9.723 1.00 0.00 C ATOM 0 H THR A1023 -1.616 16.358 7.274 1.00 0.00 H new ATOM 0 HA THR A1023 -2.053 14.178 8.983 1.00 0.00 H new ATOM 0 HB THR A1023 -4.314 15.572 7.606 1.00 0.00 H new ATOM 0 HG1 THR A1023 -3.567 17.411 9.113 1.00 0.00 H new ATOM 0 HG21 THR A1023 -5.081 15.885 9.931 1.00 0.00 H new ATOM 0 HG22 THR A1023 -4.701 14.172 9.632 1.00 0.00 H new ATOM 0 HG23 THR A1023 -3.559 15.192 10.539 1.00 0.00 H new ATOM 1747 N ALA A1024 -3.118 13.668 5.940 1.00 0.00 N ATOM 1748 CA ALA A1024 -3.553 12.626 5.024 1.00 0.00 C ATOM 1749 C ALA A1024 -2.352 11.762 4.636 1.00 0.00 C ATOM 1750 O ALA A1024 -2.397 10.539 4.758 1.00 0.00 O ATOM 1751 CB ALA A1024 -4.230 13.264 3.810 1.00 0.00 C ATOM 0 H ALA A1024 -3.004 14.589 5.516 1.00 0.00 H new ATOM 0 HA ALA A1024 -4.286 11.976 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -4.556 12.483 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -5.093 13.843 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -3.523 13.921 3.303 1.00 0.00 H new ATOM 1757 N ALA A1025 -1.306 12.431 4.174 1.00 0.00 N ATOM 1758 CA ALA A1025 -0.095 11.740 3.767 1.00 0.00 C ATOM 1759 C ALA A1025 0.395 10.857 4.916 1.00 0.00 C ATOM 1760 O ALA A1025 1.137 9.901 4.697 1.00 0.00 O ATOM 1761 CB ALA A1025 0.955 12.763 3.330 1.00 0.00 C ATOM 0 H ALA A1025 -1.272 13.445 4.073 1.00 0.00 H new ATOM 0 HA ALA A1025 -0.293 11.091 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A1025 1.864 12.244 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.570 13.344 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.181 13.431 4.161 1.00 0.00 H new ATOM 1767 N HIS A1026 -0.041 11.208 6.117 1.00 0.00 N ATOM 1768 CA HIS A1026 0.343 10.460 7.302 1.00 0.00 C ATOM 1769 C HIS A1026 -0.426 9.138 7.346 1.00 0.00 C ATOM 1770 O HIS A1026 0.174 8.069 7.435 1.00 0.00 O ATOM 1771 CB HIS A1026 0.148 11.302 8.564 1.00 0.00 C ATOM 1772 CG HIS A1026 0.333 10.533 9.850 1.00 0.00 C ATOM 1773 ND1 HIS A1026 1.451 9.760 10.108 1.00 0.00 N ATOM 1774 CD2 HIS A1026 -0.470 10.427 10.948 1.00 0.00 C ATOM 1775 CE1 HIS A1026 1.317 9.217 11.309 1.00 0.00 C ATOM 1776 NE2 HIS A1026 0.126 9.632 11.828 1.00 0.00 N ATOM 0 H HIS A1026 -0.657 12.001 6.295 1.00 0.00 H new ATOM 0 HA HIS A1026 1.405 10.221 7.257 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.852 12.134 8.546 1.00 0.00 H new ATOM 0 HB3 HIS A1026 -0.854 11.732 8.551 1.00 0.00 H new ATOM 0 HD2 HIS A1026 -1.428 10.908 11.079 1.00 0.00 H new ATOM 0 HE1 HIS A1026 2.026 8.561 11.792 1.00 0.00 H new ATOM 0 HE2 HIS A1026 -0.246 9.374 12.742 1.00 0.00 H new ATOM 1784 N ALA A1027 -1.744 9.256 7.281 1.00 0.00 N ATOM 1785 CA ALA A1027 -2.603 8.084 7.313 1.00 0.00 C ATOM 1786 C ALA A1027 -2.485 7.335 5.984 1.00 0.00 C ATOM 1787 O ALA A1027 -2.557 6.108 5.950 1.00 0.00 O ATOM 1788 CB ALA A1027 -4.040 8.511 7.617 1.00 0.00 C ATOM 0 H ALA A1027 -2.238 10.145 7.206 1.00 0.00 H new ATOM 0 HA ALA A1027 -2.293 7.402 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A1027 -4.684 7.632 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A1027 -4.074 9.012 8.585 1.00 0.00 H new ATOM 0 HB3 ALA A1027 -4.388 9.194 6.842 1.00 0.00 H new ATOM 1794 N LEU A1028 -2.307 8.106 4.921 1.00 0.00 N ATOM 1795 CA LEU A1028 -2.179 7.531 3.592 1.00 0.00 C ATOM 1796 C LEU A1028 -0.976 6.586 3.564 1.00 0.00 C ATOM 1797 O LEU A1028 -1.131 5.386 3.342 1.00 0.00 O ATOM 1798 CB LEU A1028 -2.119 8.635 2.535 1.00 0.00 C ATOM 1799 CG LEU A1028 -3.467 9.140 2.014 1.00 0.00 C ATOM 1800 CD1 LEU A1028 -3.865 8.412 0.729 1.00 0.00 C ATOM 1801 CD2 LEU A1028 -4.547 9.030 3.093 1.00 0.00 C ATOM 0 H LEU A1028 -2.248 9.124 4.953 1.00 0.00 H new ATOM 0 HA LEU A1028 -3.058 6.935 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A1028 -1.573 9.481 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A1028 -1.539 8.268 1.688 1.00 0.00 H new ATOM 0 HG LEU A1028 -3.364 10.197 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A1028 -4.826 8.789 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A1028 -3.108 8.584 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -3.945 7.343 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -5.495 9.395 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -4.656 7.988 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -4.260 9.629 3.958 1.00 0.00 H new ATOM 1813 N ALA A1029 0.194 7.163 3.792 1.00 0.00 N ATOM 1814 CA ALA A1029 1.423 6.387 3.795 1.00 0.00 C ATOM 1815 C ALA A1029 1.192 5.077 4.552 1.00 0.00 C ATOM 1816 O ALA A1029 1.601 4.011 4.094 1.00 0.00 O ATOM 1817 CB ALA A1029 2.552 7.221 4.404 1.00 0.00 C ATOM 0 H ALA A1029 0.318 8.159 3.976 1.00 0.00 H new ATOM 0 HA ALA A1029 1.719 6.132 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A1029 3.474 6.639 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A1029 2.695 8.126 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.292 7.493 5.427 1.00 0.00 H new ATOM 1823 N VAL A1030 0.537 5.201 5.697 1.00 0.00 N ATOM 1824 CA VAL A1030 0.247 4.040 6.522 1.00 0.00 C ATOM 1825 C VAL A1030 -0.792 3.166 5.816 1.00 0.00 C ATOM 1826 O VAL A1030 -0.634 1.948 5.740 1.00 0.00 O ATOM 1827 CB VAL A1030 -0.195 4.487 7.917 1.00 0.00 C ATOM 1828 CG1 VAL A1030 -1.066 3.420 8.583 1.00 0.00 C ATOM 1829 CG2 VAL A1030 1.012 4.833 8.790 1.00 0.00 C ATOM 0 H VAL A1030 0.199 6.087 6.073 1.00 0.00 H new ATOM 0 HA VAL A1030 1.143 3.434 6.659 1.00 0.00 H new ATOM 0 HB VAL A1030 -0.796 5.389 7.805 1.00 0.00 H new ATOM 0 HG11 VAL A1030 -1.367 3.762 9.573 1.00 0.00 H new ATOM 0 HG12 VAL A1030 -1.953 3.243 7.975 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -0.499 2.494 8.676 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.670 5.148 9.776 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.652 3.956 8.891 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.576 5.642 8.327 1.00 0.00 H new ATOM 1839 N ASP A1031 -1.830 3.821 5.319 1.00 0.00 N ATOM 1840 CA ASP A1031 -2.894 3.118 4.622 1.00 0.00 C ATOM 1841 C ASP A1031 -2.282 2.126 3.632 1.00 0.00 C ATOM 1842 O ASP A1031 -2.566 0.931 3.689 1.00 0.00 O ATOM 1843 CB ASP A1031 -3.773 4.091 3.834 1.00 0.00 C ATOM 1844 CG ASP A1031 -5.231 3.659 3.670 1.00 0.00 C ATOM 1845 OD1 ASP A1031 -5.495 2.903 2.710 1.00 0.00 O ATOM 1846 OD2 ASP A1031 -6.050 4.094 4.509 1.00 0.00 O ATOM 0 H ASP A1031 -1.957 4.831 5.385 1.00 0.00 H new ATOM 0 HA ASP A1031 -3.502 2.604 5.367 1.00 0.00 H new ATOM 0 HB2 ASP A1031 -3.751 5.061 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A1031 -3.338 4.230 2.844 1.00 0.00 H new ATOM 1851 N ALA A1032 -1.452 2.658 2.747 1.00 0.00 N ATOM 1852 CA ALA A1032 -0.797 1.834 1.746 1.00 0.00 C ATOM 1853 C ALA A1032 -0.067 0.681 2.438 1.00 0.00 C ATOM 1854 O ALA A1032 -0.029 -0.434 1.921 1.00 0.00 O ATOM 1855 CB ALA A1032 0.145 2.701 0.908 1.00 0.00 C ATOM 0 H ALA A1032 -1.218 3.650 2.702 1.00 0.00 H new ATOM 0 HA ALA A1032 -1.531 1.399 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A1032 0.637 2.083 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.427 3.487 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.897 3.152 1.556 1.00 0.00 H new ATOM 1861 N LYS A1033 0.495 0.990 3.598 1.00 0.00 N ATOM 1862 CA LYS A1033 1.221 -0.006 4.366 1.00 0.00 C ATOM 1863 C LYS A1033 0.234 -1.035 4.922 1.00 0.00 C ATOM 1864 O LYS A1033 0.324 -2.220 4.605 1.00 0.00 O ATOM 1865 CB LYS A1033 2.078 0.666 5.441 1.00 0.00 C ATOM 1866 CG LYS A1033 3.389 1.188 4.849 1.00 0.00 C ATOM 1867 CD LYS A1033 4.426 0.068 4.740 1.00 0.00 C ATOM 1868 CE LYS A1033 5.839 0.603 4.979 1.00 0.00 C ATOM 1869 NZ LYS A1033 6.214 1.567 3.921 1.00 0.00 N ATOM 0 H LYS A1033 0.462 1.916 4.024 1.00 0.00 H new ATOM 0 HA LYS A1033 1.919 -0.546 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.524 1.490 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A1033 2.293 -0.046 6.238 1.00 0.00 H new ATOM 0 HG2 LYS A1033 3.203 1.613 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A1033 3.780 1.991 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A1033 4.201 -0.712 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A1033 4.369 -0.390 3.753 1.00 0.00 H new ATOM 0 HE2 LYS A1033 5.891 1.086 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A1033 6.549 -0.224 4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 7.219 1.817 4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 6.054 1.137 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 5.633 2.425 4.011 1.00 0.00 H new ATOM 1883 N ASN A1034 -0.685 -0.544 5.740 1.00 0.00 N ATOM 1884 CA ASN A1034 -1.688 -1.406 6.343 1.00 0.00 C ATOM 1885 C ASN A1034 -2.209 -2.387 5.291 1.00 0.00 C ATOM 1886 O ASN A1034 -2.444 -3.557 5.590 1.00 0.00 O ATOM 1887 CB ASN A1034 -2.876 -0.592 6.859 1.00 0.00 C ATOM 1888 CG ASN A1034 -3.620 -1.347 7.962 1.00 0.00 C ATOM 1889 OD1 ASN A1034 -3.168 -2.360 8.470 1.00 0.00 O ATOM 1890 ND2 ASN A1034 -4.782 -0.798 8.304 1.00 0.00 N ATOM 0 H ASN A1034 -0.756 0.440 6.000 1.00 0.00 H new ATOM 0 HA ASN A1034 -1.223 -1.933 7.176 1.00 0.00 H new ATOM 0 HB2 ASN A1034 -2.526 0.366 7.242 1.00 0.00 H new ATOM 0 HB3 ASN A1034 -3.558 -0.377 6.037 1.00 0.00 H new ATOM 0 HD21 ASN A1034 -5.354 -1.226 9.032 1.00 0.00 H new ATOM 0 HD22 ASN A1034 -5.102 0.051 7.838 1.00 0.00 H new ATOM 1897 N LEU A1035 -2.374 -1.875 4.080 1.00 0.00 N ATOM 1898 CA LEU A1035 -2.863 -2.692 2.982 1.00 0.00 C ATOM 1899 C LEU A1035 -1.999 -3.949 2.863 1.00 0.00 C ATOM 1900 O LEU A1035 -2.483 -5.061 3.068 1.00 0.00 O ATOM 1901 CB LEU A1035 -2.933 -1.870 1.693 1.00 0.00 C ATOM 1902 CG LEU A1035 -3.355 -2.631 0.435 1.00 0.00 C ATOM 1903 CD1 LEU A1035 -4.171 -1.736 -0.500 1.00 0.00 C ATOM 1904 CD2 LEU A1035 -2.141 -3.240 -0.270 1.00 0.00 C ATOM 0 H LEU A1035 -2.178 -0.905 3.835 1.00 0.00 H new ATOM 0 HA LEU A1035 -3.883 -3.023 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A1035 -3.631 -1.047 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A1035 -1.953 -1.427 1.514 1.00 0.00 H new ATOM 0 HG LEU A1035 -4.001 -3.456 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -4.458 -2.302 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A1035 -5.067 -1.391 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A1035 -3.570 -0.877 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -2.468 -3.775 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A1035 -1.451 -2.447 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -1.638 -3.932 0.405 1.00 0.00 H new ATOM 1916 N LEU A1036 -0.734 -3.730 2.532 1.00 0.00 N ATOM 1917 CA LEU A1036 0.202 -4.832 2.383 1.00 0.00 C ATOM 1918 C LEU A1036 0.328 -5.572 3.716 1.00 0.00 C ATOM 1919 O LEU A1036 0.426 -6.797 3.743 1.00 0.00 O ATOM 1920 CB LEU A1036 1.537 -4.329 1.830 1.00 0.00 C ATOM 1921 CG LEU A1036 2.574 -5.405 1.500 1.00 0.00 C ATOM 1922 CD1 LEU A1036 3.550 -4.915 0.429 1.00 0.00 C ATOM 1923 CD2 LEU A1036 3.297 -5.875 2.764 1.00 0.00 C ATOM 0 H LEU A1036 -0.336 -2.806 2.363 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.169 -5.551 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A1036 1.339 -3.753 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A1036 1.973 -3.643 2.556 1.00 0.00 H new ATOM 0 HG LEU A1036 2.052 -6.269 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A1036 4.276 -5.698 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A1036 3.000 -4.669 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A1036 4.070 -4.027 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A1036 4.028 -6.639 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A1036 3.806 -5.030 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A1036 2.573 -6.291 3.464 1.00 0.00 H new ATOM 1935 N ASP A1037 0.320 -4.796 4.791 1.00 0.00 N ATOM 1936 CA ASP A1037 0.433 -5.362 6.124 1.00 0.00 C ATOM 1937 C ASP A1037 -0.467 -6.595 6.227 1.00 0.00 C ATOM 1938 O ASP A1037 -0.037 -7.645 6.703 1.00 0.00 O ATOM 1939 CB ASP A1037 -0.017 -4.359 7.188 1.00 0.00 C ATOM 1940 CG ASP A1037 0.564 -4.594 8.584 1.00 0.00 C ATOM 1941 OD1 ASP A1037 0.856 -5.771 8.887 1.00 0.00 O ATOM 1942 OD2 ASP A1037 0.703 -3.591 9.317 1.00 0.00 O ATOM 0 H ASP A1037 0.237 -3.780 4.765 1.00 0.00 H new ATOM 0 HA ASP A1037 1.478 -5.622 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A1037 0.258 -3.356 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.105 -4.386 7.254 1.00 0.00 H new ATOM 1947 N VAL A1038 -1.700 -6.428 5.772 1.00 0.00 N ATOM 1948 CA VAL A1038 -2.665 -7.515 5.807 1.00 0.00 C ATOM 1949 C VAL A1038 -2.187 -8.645 4.893 1.00 0.00 C ATOM 1950 O VAL A1038 -2.350 -9.820 5.215 1.00 0.00 O ATOM 1951 CB VAL A1038 -4.054 -6.993 5.436 1.00 0.00 C ATOM 1952 CG1 VAL A1038 -5.130 -8.039 5.735 1.00 0.00 C ATOM 1953 CG2 VAL A1038 -4.356 -5.677 6.155 1.00 0.00 C ATOM 0 H VAL A1038 -2.053 -5.557 5.377 1.00 0.00 H new ATOM 0 HA VAL A1038 -2.744 -7.923 6.814 1.00 0.00 H new ATOM 0 HB VAL A1038 -4.063 -6.799 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A1038 -6.108 -7.643 5.462 1.00 0.00 H new ATOM 0 HG12 VAL A1038 -4.930 -8.942 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A1038 -5.119 -8.278 6.798 1.00 0.00 H new ATOM 0 HG21 VAL A1038 -5.350 -5.328 5.873 1.00 0.00 H new ATOM 0 HG22 VAL A1038 -4.319 -5.834 7.233 1.00 0.00 H new ATOM 0 HG23 VAL A1038 -3.615 -4.929 5.872 1.00 0.00 H new ATOM 1963 N ILE A1039 -1.606 -8.248 3.769 1.00 0.00 N ATOM 1964 CA ILE A1039 -1.103 -9.213 2.806 1.00 0.00 C ATOM 1965 C ILE A1039 -0.040 -10.088 3.474 1.00 0.00 C ATOM 1966 O ILE A1039 -0.138 -11.314 3.454 1.00 0.00 O ATOM 1967 CB ILE A1039 -0.611 -8.503 1.544 1.00 0.00 C ATOM 1968 CG1 ILE A1039 -1.721 -8.417 0.494 1.00 0.00 C ATOM 1969 CG2 ILE A1039 0.648 -9.175 0.992 1.00 0.00 C ATOM 1970 CD1 ILE A1039 -1.292 -7.547 -0.689 1.00 0.00 C ATOM 0 H ILE A1039 -1.473 -7.272 3.504 1.00 0.00 H new ATOM 0 HA ILE A1039 -1.903 -9.877 2.479 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.341 -7.481 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.971 -9.418 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.622 -8.003 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.977 -8.651 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.438 -9.140 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.428 -10.213 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -2.099 -7.503 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -1.066 -6.540 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.405 -7.977 -1.154 1.00 0.00 H new ATOM 1982 N ASP A1040 0.951 -9.423 4.049 1.00 0.00 N ATOM 1983 CA ASP A1040 2.031 -10.124 4.722 1.00 0.00 C ATOM 1984 C ASP A1040 1.442 -11.166 5.674 1.00 0.00 C ATOM 1985 O ASP A1040 1.907 -12.304 5.720 1.00 0.00 O ATOM 1986 CB ASP A1040 2.885 -9.159 5.546 1.00 0.00 C ATOM 1987 CG ASP A1040 4.149 -9.772 6.154 1.00 0.00 C ATOM 1988 OD1 ASP A1040 4.427 -10.945 5.823 1.00 0.00 O ATOM 1989 OD2 ASP A1040 4.808 -9.053 6.936 1.00 0.00 O ATOM 0 H ASP A1040 1.029 -8.406 4.063 1.00 0.00 H new ATOM 0 HA ASP A1040 2.653 -10.595 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A1040 3.175 -8.321 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A1040 2.273 -8.753 6.351 1.00 0.00 H new ATOM 1994 N GLN A1041 0.427 -10.740 6.412 1.00 0.00 N ATOM 1995 CA GLN A1041 -0.231 -11.622 7.361 1.00 0.00 C ATOM 1996 C GLN A1041 -0.915 -12.777 6.626 1.00 0.00 C ATOM 1997 O GLN A1041 -1.200 -13.814 7.222 1.00 0.00 O ATOM 1998 CB GLN A1041 -1.233 -10.851 8.223 1.00 0.00 C ATOM 1999 CG GLN A1041 -0.611 -10.454 9.563 1.00 0.00 C ATOM 2000 CD GLN A1041 -1.285 -9.203 10.131 1.00 0.00 C ATOM 2001 OE1 GLN A1041 -0.756 -8.105 10.082 1.00 0.00 O ATOM 2002 NE2 GLN A1041 -2.478 -9.430 10.672 1.00 0.00 N ATOM 0 H GLN A1041 0.044 -9.795 6.372 1.00 0.00 H new ATOM 0 HA GLN A1041 0.526 -12.037 8.026 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -1.563 -9.958 7.692 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -2.117 -11.464 8.396 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -0.708 -11.277 10.271 1.00 0.00 H new ATOM 0 HG3 GLN A1041 0.455 -10.270 9.433 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -2.863 -10.374 10.680 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -3.008 -8.660 11.079 1.00 0.00 H new ATOM 2011 N ALA A1042 -1.158 -12.558 5.342 1.00 0.00 N ATOM 2012 CA ALA A1042 -1.803 -13.567 4.520 1.00 0.00 C ATOM 2013 C ALA A1042 -0.752 -14.559 4.019 1.00 0.00 C ATOM 2014 O ALA A1042 -0.858 -15.759 4.266 1.00 0.00 O ATOM 2015 CB ALA A1042 -2.557 -12.888 3.374 1.00 0.00 C ATOM 0 H ALA A1042 -0.920 -11.696 4.851 1.00 0.00 H new ATOM 0 HA ALA A1042 -2.533 -14.127 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A1042 -3.041 -13.646 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A1042 -3.312 -12.216 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -1.856 -12.318 2.765 1.00 0.00 H new ATOM 2021 N ARG A1043 0.239 -14.021 3.324 1.00 0.00 N ATOM 2022 CA ARG A1043 1.309 -14.843 2.785 1.00 0.00 C ATOM 2023 C ARG A1043 1.652 -15.972 3.760 1.00 0.00 C ATOM 2024 O ARG A1043 1.816 -17.121 3.352 1.00 0.00 O ATOM 2025 CB ARG A1043 2.564 -14.010 2.519 1.00 0.00 C ATOM 2026 CG ARG A1043 3.474 -14.699 1.500 1.00 0.00 C ATOM 2027 CD ARG A1043 4.338 -13.678 0.758 1.00 0.00 C ATOM 2028 NE ARG A1043 5.758 -13.843 1.140 1.00 0.00 N ATOM 2029 CZ ARG A1043 6.738 -13.008 0.768 1.00 0.00 C ATOM 2030 NH1 ARG A1043 6.458 -11.944 0.003 1.00 0.00 N ATOM 2031 NH2 ARG A1043 7.999 -13.236 1.162 1.00 0.00 N ATOM 0 H ARG A1043 0.324 -13.025 3.121 1.00 0.00 H new ATOM 0 HA ARG A1043 0.961 -15.264 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A1043 2.279 -13.025 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A1043 3.107 -13.856 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A1043 4.113 -15.421 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A1043 2.869 -15.257 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A1043 4.225 -13.808 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A1043 4.005 -12.667 0.994 1.00 0.00 H new ATOM 0 HE ARG A1043 6.007 -14.642 1.723 1.00 0.00 H new ATOM 0 HH11 ARG A1043 5.499 -11.769 -0.296 1.00 0.00 H new ATOM 0 HH12 ARG A1043 7.204 -11.309 -0.280 1.00 0.00 H new ATOM 0 HH21 ARG A1043 8.213 -14.045 1.745 1.00 0.00 H new ATOM 0 HH22 ARG A1043 8.745 -12.600 0.879 1.00 0.00 H new ATOM 2045 N LEU A1044 1.751 -15.605 5.029 1.00 0.00 N ATOM 2046 CA LEU A1044 2.071 -16.572 6.065 1.00 0.00 C ATOM 2047 C LEU A1044 0.902 -17.545 6.228 1.00 0.00 C ATOM 2048 O LEU A1044 1.095 -18.760 6.228 1.00 0.00 O ATOM 2049 CB LEU A1044 2.464 -15.860 7.361 1.00 0.00 C ATOM 2050 CG LEU A1044 1.460 -14.835 7.893 1.00 0.00 C ATOM 2051 CD1 LEU A1044 0.451 -15.495 8.836 1.00 0.00 C ATOM 2052 CD2 LEU A1044 2.177 -13.657 8.556 1.00 0.00 C ATOM 0 H LEU A1044 1.615 -14.651 5.363 1.00 0.00 H new ATOM 0 HA LEU A1044 2.940 -17.163 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.627 -16.614 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.417 -15.356 7.201 1.00 0.00 H new ATOM 0 HG LEU A1044 0.899 -14.436 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.251 -14.745 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.094 -16.272 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.978 -15.938 9.681 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.440 -12.944 8.925 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.780 -14.020 9.389 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.823 -13.167 7.827 1.00 0.00 H new ATOM 2064 N LYS A1045 -0.286 -16.974 6.364 1.00 0.00 N ATOM 2065 CA LYS A1045 -1.487 -17.776 6.527 1.00 0.00 C ATOM 2066 C LYS A1045 -1.410 -18.996 5.607 1.00 0.00 C ATOM 2067 O LYS A1045 -1.940 -20.057 5.932 1.00 0.00 O ATOM 2068 CB LYS A1045 -2.736 -16.919 6.311 1.00 0.00 C ATOM 2069 CG LYS A1045 -3.261 -16.370 7.639 1.00 0.00 C ATOM 2070 CD LYS A1045 -4.785 -16.236 7.613 1.00 0.00 C ATOM 2071 CE LYS A1045 -5.286 -15.436 8.817 1.00 0.00 C ATOM 2072 NZ LYS A1045 -5.288 -16.278 10.034 1.00 0.00 N ATOM 0 H LYS A1045 -0.443 -15.966 6.365 1.00 0.00 H new ATOM 0 HA LYS A1045 -1.559 -18.152 7.548 1.00 0.00 H new ATOM 0 HB2 LYS A1045 -2.503 -16.093 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A1045 -3.511 -17.514 5.828 1.00 0.00 H new ATOM 0 HG2 LYS A1045 -2.964 -17.032 8.453 1.00 0.00 H new ATOM 0 HG3 LYS A1045 -2.810 -15.398 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A1045 -5.095 -15.744 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A1045 -5.241 -17.226 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A1045 -4.650 -14.564 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A1045 -6.293 -15.066 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 -5.631 -15.720 10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 -5.913 -17.097 9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 -4.322 -16.610 10.228 1.00 0.00 H new ATOM 2086 N MET A1046 -0.747 -18.803 4.476 1.00 0.00 N ATOM 2087 CA MET A1046 -0.594 -19.874 3.507 1.00 0.00 C ATOM 2088 C MET A1046 0.588 -20.776 3.868 1.00 0.00 C ATOM 2089 O MET A1046 0.439 -21.994 3.958 1.00 0.00 O ATOM 2090 CB MET A1046 -0.374 -19.276 2.116 1.00 0.00 C ATOM 2091 CG MET A1046 0.461 -20.214 1.242 1.00 0.00 C ATOM 2092 SD MET A1046 0.557 -19.574 -0.422 1.00 0.00 S ATOM 2093 CE MET A1046 1.440 -18.053 -0.118 1.00 0.00 C ATOM 0 H MET A1046 -0.310 -17.921 4.209 1.00 0.00 H new ATOM 0 HA MET A1046 -1.502 -20.477 3.514 1.00 0.00 H new ATOM 0 HB2 MET A1046 -1.337 -19.090 1.640 1.00 0.00 H new ATOM 0 HB3 MET A1046 0.129 -18.313 2.206 1.00 0.00 H new ATOM 0 HG2 MET A1046 1.463 -20.317 1.659 1.00 0.00 H new ATOM 0 HG3 MET A1046 0.015 -21.209 1.233 1.00 0.00 H new ATOM 0 HE1 MET A1046 1.909 -17.713 -1.042 1.00 0.00 H new ATOM 0 HE2 MET A1046 0.744 -17.293 0.236 1.00 0.00 H new ATOM 0 HE3 MET A1046 2.208 -18.223 0.637 1.00 0.00 H new ATOM 2103 N ILE A1047 1.735 -20.144 4.064 1.00 0.00 N ATOM 2104 CA ILE A1047 2.942 -20.874 4.413 1.00 0.00 C ATOM 2105 C ILE A1047 2.656 -21.779 5.613 1.00 0.00 C ATOM 2106 O ILE A1047 2.598 -23.000 5.474 1.00 0.00 O ATOM 2107 CB ILE A1047 4.107 -19.908 4.636 1.00 0.00 C ATOM 2108 CG1 ILE A1047 4.671 -19.412 3.303 1.00 0.00 C ATOM 2109 CG2 ILE A1047 5.187 -20.544 5.514 1.00 0.00 C ATOM 2110 CD1 ILE A1047 4.750 -17.884 3.276 1.00 0.00 C ATOM 0 H ILE A1047 1.855 -19.134 3.988 1.00 0.00 H new ATOM 0 HA ILE A1047 3.247 -21.521 3.590 1.00 0.00 H new ATOM 0 HB ILE A1047 3.730 -19.036 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A1047 5.663 -19.834 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A1047 4.041 -19.762 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A1047 6.003 -19.836 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A1047 4.761 -20.806 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A1047 5.567 -21.443 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A1047 5.154 -17.557 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A1047 3.753 -17.466 3.411 1.00 0.00 H new ATOM 0 HD13 ILE A1047 5.400 -17.539 4.080 1.00 0.00 H new