USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 949 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 953 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.012) USER MOD Set 2.1: A 929 THR OG1 : rot 89:sc= 1.02 USER MOD Set 2.2: A 935 THR OG1 : rot 180:sc= 0.881 USER MOD Set 3.1: A 910 GLN :FLIP amide:sc= -0.872 F(o=-4.8!,f=-2.4) USER MOD Set 3.2: A 916 GLN : amide:sc= -1.55 K(o=-2.4,f=-3.4!) USER MOD Single : A 889 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 890 SER OG : rot 180:sc= 0 USER MOD Single : A 894 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 895 ASN : amide:sc= -0.047 K(o=-0.047,f=-1.8!) USER MOD Single : A 900 THR OG1 : rot 180:sc= 0 USER MOD Single : A 901 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 903 THR OG1 : rot 180:sc= 0 USER MOD Single : A 904 SER OG : rot -33:sc= 0.444 USER MOD Single : A 912 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 915 SER OG : rot 180:sc= 0 USER MOD Single : A 920 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 924 SER OG : rot 180:sc= 0 USER MOD Single : A 925 SER OG : rot -37:sc= 0.398 USER MOD Single : A 927 SER OG : rot 180:sc= 0 USER MOD Single : A 928 TYR OH : rot 180:sc= -0.107 USER MOD Single : A 930 SER OG : rot 180:sc= 0 USER MOD Single : A 932 ASN : amide:sc=-0.00336 K(o=-0.0034,f=-1.4!) USER MOD Single : A 934 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.1) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 TYR OH : rot 180:sc= 0 USER MOD Single : A 941 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.16) USER MOD Single : A 943 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0292) USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 950 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.22) USER MOD Single : A 951 LYS NZ :NH3+ 158:sc= -0.0863 (180deg=-0.438) USER MOD Single : A 954 CYS SG : rot -22:sc= 0.929 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 889 5.771 8.318 7.441 1.00 0.00 N ATOM 84 CA LYS A 889 5.785 9.356 8.469 1.00 0.00 C ATOM 85 C LYS A 889 4.356 9.657 8.912 1.00 0.00 C ATOM 86 O LYS A 889 4.114 10.119 10.029 1.00 0.00 O ATOM 87 CB LYS A 889 6.465 10.631 7.957 1.00 0.00 C ATOM 88 CG LYS A 889 5.828 11.209 6.704 1.00 0.00 C ATOM 89 CD LYS A 889 6.488 12.514 6.290 1.00 0.00 C ATOM 90 CE LYS A 889 7.970 12.329 6.008 1.00 0.00 C ATOM 91 NZ LYS A 889 8.592 13.583 5.511 1.00 0.00 N ATOM 0 HA LYS A 889 6.358 8.993 9.322 1.00 0.00 H new ATOM 0 HB2 LYS A 889 6.442 11.384 8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 889 7.514 10.415 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 889 5.905 10.488 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 889 4.766 11.378 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 889 5.994 12.905 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 889 6.357 13.254 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 889 8.477 12.006 6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 889 8.105 11.538 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 889 9.603 13.421 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 889 8.124 13.877 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 889 8.485 14.331 6.226 1.00 0.00 H new ATOM 105 N SER A 890 3.418 9.397 8.013 1.00 0.00 N ATOM 106 CA SER A 890 2.008 9.520 8.312 1.00 0.00 C ATOM 107 C SER A 890 1.384 8.131 8.422 1.00 0.00 C ATOM 108 O SER A 890 1.818 7.192 7.751 1.00 0.00 O ATOM 109 CB SER A 890 1.308 10.331 7.219 1.00 0.00 C ATOM 110 OG SER A 890 1.992 11.549 6.969 1.00 0.00 O ATOM 0 H SER A 890 3.617 9.096 7.059 1.00 0.00 H new ATOM 0 HA SER A 890 1.886 10.040 9.262 1.00 0.00 H new ATOM 0 HB2 SER A 890 1.258 9.744 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 890 0.282 10.542 7.519 1.00 0.00 H new ATOM 0 HG SER A 890 1.526 12.048 6.266 1.00 0.00 H new ATOM 116 N VAL A 891 0.376 8.002 9.266 1.00 0.00 N ATOM 117 CA VAL A 891 -0.307 6.735 9.452 1.00 0.00 C ATOM 118 C VAL A 891 -1.732 6.842 8.930 1.00 0.00 C ATOM 119 O VAL A 891 -2.392 7.853 9.130 1.00 0.00 O ATOM 120 CB VAL A 891 -0.359 6.344 10.948 1.00 0.00 C ATOM 121 CG1 VAL A 891 -0.876 4.924 11.123 1.00 0.00 C ATOM 122 CG2 VAL A 891 1.004 6.511 11.605 1.00 0.00 C ATOM 0 H VAL A 891 0.011 8.765 9.837 1.00 0.00 H new ATOM 0 HA VAL A 891 0.245 5.972 8.904 1.00 0.00 H new ATOM 0 HB VAL A 891 -1.056 7.019 11.445 1.00 0.00 H new ATOM 0 HG11 VAL A 891 -0.902 4.675 12.184 1.00 0.00 H new ATOM 0 HG12 VAL A 891 -1.881 4.849 10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 891 -0.216 4.230 10.603 1.00 0.00 H new ATOM 0 HG21 VAL A 891 0.938 6.229 12.656 1.00 0.00 H new ATOM 0 HG22 VAL A 891 1.731 5.872 11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 891 1.320 7.551 11.527 1.00 0.00 H new ATOM 132 N PHE A 892 -2.199 5.816 8.249 1.00 0.00 N ATOM 133 CA PHE A 892 -3.578 5.778 7.802 1.00 0.00 C ATOM 134 C PHE A 892 -4.353 4.751 8.612 1.00 0.00 C ATOM 135 O PHE A 892 -3.934 3.596 8.723 1.00 0.00 O ATOM 136 CB PHE A 892 -3.658 5.475 6.296 1.00 0.00 C ATOM 137 CG PHE A 892 -2.968 4.204 5.872 1.00 0.00 C ATOM 138 CD1 PHE A 892 -1.596 4.174 5.673 1.00 0.00 C ATOM 139 CD2 PHE A 892 -3.696 3.042 5.664 1.00 0.00 C ATOM 140 CE1 PHE A 892 -0.964 3.009 5.278 1.00 0.00 C ATOM 141 CE2 PHE A 892 -3.069 1.877 5.270 1.00 0.00 C ATOM 142 CZ PHE A 892 -1.703 1.860 5.077 1.00 0.00 C ATOM 0 H PHE A 892 -1.646 4.998 7.993 1.00 0.00 H new ATOM 0 HA PHE A 892 -4.029 6.758 7.962 1.00 0.00 H new ATOM 0 HB2 PHE A 892 -4.707 5.417 6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 892 -3.222 6.310 5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 892 -1.014 5.071 5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 892 -4.766 3.049 5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 892 0.105 2.998 5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 892 -3.648 0.979 5.113 1.00 0.00 H new ATOM 0 HZ PHE A 892 -1.212 0.949 4.769 1.00 0.00 H new ATOM 152 N VAL A 893 -5.461 5.164 9.209 1.00 0.00 N ATOM 153 CA VAL A 893 -6.297 4.223 9.930 1.00 0.00 C ATOM 154 C VAL A 893 -7.665 4.110 9.265 1.00 0.00 C ATOM 155 O VAL A 893 -8.413 5.101 9.155 1.00 0.00 O ATOM 156 CB VAL A 893 -6.441 4.598 11.429 1.00 0.00 C ATOM 157 CG1 VAL A 893 -6.964 6.017 11.608 1.00 0.00 C ATOM 158 CG2 VAL A 893 -7.335 3.598 12.152 1.00 0.00 C ATOM 0 H VAL A 893 -5.796 6.127 9.208 1.00 0.00 H new ATOM 0 HA VAL A 893 -5.805 3.251 9.891 1.00 0.00 H new ATOM 0 HB VAL A 893 -5.446 4.558 11.873 1.00 0.00 H new ATOM 0 HG11 VAL A 893 -7.051 6.241 12.671 1.00 0.00 H new ATOM 0 HG12 VAL A 893 -6.273 6.721 11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 893 -7.943 6.106 11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 893 -7.422 3.880 13.201 1.00 0.00 H new ATOM 0 HG22 VAL A 893 -8.324 3.596 11.693 1.00 0.00 H new ATOM 0 HG23 VAL A 893 -6.899 2.601 12.079 1.00 0.00 H new ATOM 168 N LYS A 894 -7.961 2.882 8.811 1.00 0.00 N ATOM 169 CA LYS A 894 -9.217 2.523 8.128 1.00 0.00 C ATOM 170 C LYS A 894 -9.509 3.433 6.933 1.00 0.00 C ATOM 171 O LYS A 894 -10.587 3.371 6.339 1.00 0.00 O ATOM 172 CB LYS A 894 -10.388 2.544 9.113 1.00 0.00 C ATOM 173 CG LYS A 894 -10.216 1.569 10.265 1.00 0.00 C ATOM 174 CD LYS A 894 -11.467 1.474 11.116 1.00 0.00 C ATOM 175 CE LYS A 894 -11.283 0.465 12.236 1.00 0.00 C ATOM 176 NZ LYS A 894 -12.529 0.265 13.016 1.00 0.00 N ATOM 0 H LYS A 894 -7.322 2.094 8.910 1.00 0.00 H new ATOM 0 HA LYS A 894 -9.094 1.512 7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 894 -10.501 3.552 9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 894 -11.308 2.307 8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 894 -9.968 0.583 9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 894 -9.378 1.885 10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 894 -11.701 2.452 11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 894 -12.314 1.183 10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 894 -10.962 -0.488 11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 894 -10.489 0.804 12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 894 -12.359 -0.431 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 894 -12.823 1.169 13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 894 -13.280 -0.083 12.387 1.00 0.00 H new ATOM 190 N ASN A 895 -8.535 4.274 6.598 1.00 0.00 N ATOM 191 CA ASN A 895 -8.677 5.311 5.582 1.00 0.00 C ATOM 192 C ASN A 895 -9.806 6.261 5.966 1.00 0.00 C ATOM 193 O ASN A 895 -10.379 6.942 5.118 1.00 0.00 O ATOM 194 CB ASN A 895 -8.924 4.700 4.194 1.00 0.00 C ATOM 195 CG ASN A 895 -7.700 3.984 3.650 1.00 0.00 C ATOM 196 OD1 ASN A 895 -6.877 3.467 4.405 1.00 0.00 O ATOM 197 ND2 ASN A 895 -7.572 3.939 2.334 1.00 0.00 N ATOM 0 H ASN A 895 -7.612 4.254 7.031 1.00 0.00 H new ATOM 0 HA ASN A 895 -7.745 5.874 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -9.756 3.998 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -9.219 5.488 3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -6.772 3.465 1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -8.274 4.378 1.738 1.00 0.00 H new ATOM 204 N VAL A 896 -10.104 6.313 7.263 1.00 0.00 N ATOM 205 CA VAL A 896 -11.090 7.237 7.785 1.00 0.00 C ATOM 206 C VAL A 896 -10.369 8.365 8.497 1.00 0.00 C ATOM 207 O VAL A 896 -10.852 9.497 8.563 1.00 0.00 O ATOM 208 CB VAL A 896 -12.095 6.539 8.738 1.00 0.00 C ATOM 209 CG1 VAL A 896 -11.397 5.966 9.963 1.00 0.00 C ATOM 210 CG2 VAL A 896 -13.211 7.491 9.146 1.00 0.00 C ATOM 0 H VAL A 896 -9.670 5.719 7.970 1.00 0.00 H new ATOM 0 HA VAL A 896 -11.674 7.632 6.954 1.00 0.00 H new ATOM 0 HB VAL A 896 -12.540 5.707 8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 896 -12.132 5.485 10.608 1.00 0.00 H new ATOM 0 HG12 VAL A 896 -10.654 5.233 9.649 1.00 0.00 H new ATOM 0 HG13 VAL A 896 -10.905 6.770 10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 896 -13.902 6.977 9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 896 -12.784 8.353 9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 896 -13.747 7.826 8.258 1.00 0.00 H new ATOM 220 N GLY A 897 -9.192 8.045 9.022 1.00 0.00 N ATOM 221 CA GLY A 897 -8.375 9.060 9.631 1.00 0.00 C ATOM 222 C GLY A 897 -6.918 8.896 9.277 1.00 0.00 C ATOM 223 O GLY A 897 -6.477 7.805 8.901 1.00 0.00 O ATOM 0 H GLY A 897 -8.797 7.105 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 897 -8.718 10.043 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 897 -8.492 9.019 10.714 1.00 0.00 H new ATOM 227 N TRP A 898 -6.175 9.978 9.395 1.00 0.00 N ATOM 228 CA TRP A 898 -4.747 9.965 9.145 1.00 0.00 C ATOM 229 C TRP A 898 -4.025 10.461 10.391 1.00 0.00 C ATOM 230 O TRP A 898 -4.442 11.443 10.995 1.00 0.00 O ATOM 231 CB TRP A 898 -4.409 10.865 7.948 1.00 0.00 C ATOM 232 CG TRP A 898 -5.482 10.885 6.900 1.00 0.00 C ATOM 233 CD1 TRP A 898 -6.495 11.793 6.792 1.00 0.00 C ATOM 234 CD2 TRP A 898 -5.661 9.953 5.825 1.00 0.00 C ATOM 235 NE1 TRP A 898 -7.295 11.487 5.722 1.00 0.00 N ATOM 236 CE2 TRP A 898 -6.805 10.361 5.110 1.00 0.00 C ATOM 237 CE3 TRP A 898 -4.969 8.814 5.397 1.00 0.00 C ATOM 238 CZ2 TRP A 898 -7.267 9.673 3.991 1.00 0.00 C ATOM 239 CZ3 TRP A 898 -5.432 8.132 4.286 1.00 0.00 C ATOM 240 CH2 TRP A 898 -6.571 8.562 3.596 1.00 0.00 C ATOM 0 H TRP A 898 -6.543 10.890 9.666 1.00 0.00 H new ATOM 0 HA TRP A 898 -4.426 8.950 8.912 1.00 0.00 H new ATOM 0 HB2 TRP A 898 -4.238 11.881 8.303 1.00 0.00 H new ATOM 0 HB3 TRP A 898 -3.477 10.524 7.497 1.00 0.00 H new ATOM 0 HD1 TRP A 898 -6.645 12.632 7.455 1.00 0.00 H new ATOM 0 HE1 TRP A 898 -8.120 12.011 5.429 1.00 0.00 H new ATOM 0 HE3 TRP A 898 -4.090 8.474 5.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 898 -8.143 10.004 3.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 898 -4.905 7.253 3.945 1.00 0.00 H new ATOM 0 HH2 TRP A 898 -6.908 8.006 2.734 1.00 0.00 H new ATOM 251 N ALA A 899 -2.950 9.800 10.770 1.00 0.00 N ATOM 252 CA ALA A 899 -2.185 10.216 11.929 1.00 0.00 C ATOM 253 C ALA A 899 -0.837 10.758 11.497 1.00 0.00 C ATOM 254 O ALA A 899 -0.130 10.139 10.711 1.00 0.00 O ATOM 255 CB ALA A 899 -2.009 9.053 12.894 1.00 0.00 C ATOM 0 H ALA A 899 -2.587 8.974 10.294 1.00 0.00 H new ATOM 0 HA ALA A 899 -2.730 11.008 12.443 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.433 9.382 13.759 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -2.987 8.701 13.222 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -1.481 8.241 12.393 1.00 0.00 H new ATOM 261 N THR A 900 -0.500 11.924 11.995 1.00 0.00 N ATOM 262 CA THR A 900 0.785 12.529 11.727 1.00 0.00 C ATOM 263 C THR A 900 1.565 12.676 13.025 1.00 0.00 C ATOM 264 O THR A 900 1.065 13.248 13.994 1.00 0.00 O ATOM 265 CB THR A 900 0.610 13.906 11.061 1.00 0.00 C ATOM 266 OG1 THR A 900 -0.349 13.808 9.998 1.00 0.00 O ATOM 267 CG2 THR A 900 1.933 14.411 10.510 1.00 0.00 C ATOM 0 H THR A 900 -1.107 12.480 12.597 1.00 0.00 H new ATOM 0 HA THR A 900 1.337 11.884 11.044 1.00 0.00 H new ATOM 0 HB THR A 900 0.256 14.612 11.812 1.00 0.00 H new ATOM 0 HG1 THR A 900 -0.461 14.686 9.576 1.00 0.00 H new ATOM 0 HG21 THR A 900 1.785 15.385 10.044 1.00 0.00 H new ATOM 0 HG22 THR A 900 2.654 14.503 11.322 1.00 0.00 H new ATOM 0 HG23 THR A 900 2.310 13.708 9.768 1.00 0.00 H new ATOM 275 N GLN A 901 2.772 12.141 13.056 1.00 0.00 N ATOM 276 CA GLN A 901 3.615 12.262 14.230 1.00 0.00 C ATOM 277 C GLN A 901 4.574 13.436 14.068 1.00 0.00 C ATOM 278 O GLN A 901 5.396 13.467 13.152 1.00 0.00 O ATOM 279 CB GLN A 901 4.375 10.955 14.496 1.00 0.00 C ATOM 280 CG GLN A 901 5.118 10.404 13.287 1.00 0.00 C ATOM 281 CD GLN A 901 5.875 9.128 13.602 1.00 0.00 C ATOM 282 OE1 GLN A 901 5.478 8.354 14.471 1.00 0.00 O ATOM 283 NE2 GLN A 901 6.969 8.896 12.898 1.00 0.00 N ATOM 0 H GLN A 901 3.189 11.620 12.284 1.00 0.00 H new ATOM 0 HA GLN A 901 2.982 12.454 15.096 1.00 0.00 H new ATOM 0 HB2 GLN A 901 5.090 11.122 15.302 1.00 0.00 H new ATOM 0 HB3 GLN A 901 3.669 10.203 14.847 1.00 0.00 H new ATOM 0 HG2 GLN A 901 4.406 10.212 12.484 1.00 0.00 H new ATOM 0 HG3 GLN A 901 5.817 11.156 12.920 1.00 0.00 H new ATOM 0 HE21 GLN A 901 7.267 9.562 12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 901 7.515 8.051 13.068 1.00 0.00 H new ATOM 292 N LEU A 902 4.434 14.419 14.940 1.00 0.00 N ATOM 293 CA LEU A 902 5.295 15.587 14.909 1.00 0.00 C ATOM 294 C LEU A 902 6.444 15.405 15.884 1.00 0.00 C ATOM 295 O LEU A 902 6.243 14.951 17.011 1.00 0.00 O ATOM 296 CB LEU A 902 4.515 16.863 15.260 1.00 0.00 C ATOM 297 CG LEU A 902 3.542 17.380 14.190 1.00 0.00 C ATOM 298 CD1 LEU A 902 4.246 17.529 12.849 1.00 0.00 C ATOM 299 CD2 LEU A 902 2.326 16.472 14.065 1.00 0.00 C ATOM 0 H LEU A 902 3.731 14.431 15.679 1.00 0.00 H new ATOM 0 HA LEU A 902 5.685 15.694 13.897 1.00 0.00 H new ATOM 0 HB2 LEU A 902 3.952 16.679 16.175 1.00 0.00 H new ATOM 0 HB3 LEU A 902 5.233 17.653 15.481 1.00 0.00 H new ATOM 0 HG LEU A 902 3.192 18.363 14.504 1.00 0.00 H new ATOM 0 HD11 LEU A 902 3.539 17.896 12.106 1.00 0.00 H new ATOM 0 HD12 LEU A 902 5.069 18.236 12.947 1.00 0.00 H new ATOM 0 HD13 LEU A 902 4.635 16.561 12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 902 1.656 16.864 13.300 1.00 0.00 H new ATOM 0 HD22 LEU A 902 2.648 15.469 13.786 1.00 0.00 H new ATOM 0 HD23 LEU A 902 1.802 16.432 15.020 1.00 0.00 H new ATOM 311 N THR A 903 7.642 15.774 15.455 1.00 0.00 N ATOM 312 CA THR A 903 8.836 15.650 16.284 1.00 0.00 C ATOM 313 C THR A 903 8.733 16.535 17.533 1.00 0.00 C ATOM 314 O THR A 903 9.436 16.325 18.523 1.00 0.00 O ATOM 315 CB THR A 903 10.105 16.007 15.470 1.00 0.00 C ATOM 316 OG1 THR A 903 11.277 15.907 16.284 1.00 0.00 O ATOM 317 CG2 THR A 903 10.004 17.410 14.888 1.00 0.00 C ATOM 0 H THR A 903 7.815 16.165 14.529 1.00 0.00 H new ATOM 0 HA THR A 903 8.913 14.612 16.609 1.00 0.00 H new ATOM 0 HB THR A 903 10.181 15.292 14.651 1.00 0.00 H new ATOM 0 HG1 THR A 903 12.067 16.135 15.750 1.00 0.00 H new ATOM 0 HG21 THR A 903 10.908 17.635 14.322 1.00 0.00 H new ATOM 0 HG22 THR A 903 9.138 17.469 14.228 1.00 0.00 H new ATOM 0 HG23 THR A 903 9.894 18.132 15.697 1.00 0.00 H new ATOM 325 N SER A 904 7.822 17.504 17.489 1.00 0.00 N ATOM 326 CA SER A 904 7.607 18.407 18.610 1.00 0.00 C ATOM 327 C SER A 904 6.701 17.763 19.668 1.00 0.00 C ATOM 328 O SER A 904 6.377 18.387 20.676 1.00 0.00 O ATOM 329 CB SER A 904 6.991 19.718 18.105 1.00 0.00 C ATOM 330 OG SER A 904 6.924 20.697 19.129 1.00 0.00 O ATOM 0 H SER A 904 7.220 17.682 16.685 1.00 0.00 H new ATOM 0 HA SER A 904 8.569 18.618 19.077 1.00 0.00 H new ATOM 0 HB2 SER A 904 7.583 20.101 17.274 1.00 0.00 H new ATOM 0 HB3 SER A 904 5.989 19.525 17.721 1.00 0.00 H new ATOM 0 HG SER A 904 6.767 20.258 19.991 1.00 0.00 H new ATOM 336 N GLY A 905 6.282 16.522 19.427 1.00 0.00 N ATOM 337 CA GLY A 905 5.486 15.801 20.408 1.00 0.00 C ATOM 338 C GLY A 905 3.993 15.992 20.217 1.00 0.00 C ATOM 339 O GLY A 905 3.197 15.637 21.089 1.00 0.00 O ATOM 0 H GLY A 905 6.479 16.003 18.571 1.00 0.00 H new ATOM 0 HA2 GLY A 905 5.721 14.738 20.348 1.00 0.00 H new ATOM 0 HA3 GLY A 905 5.764 16.133 21.408 1.00 0.00 H new ATOM 343 N ALA A 906 3.611 16.569 19.089 1.00 0.00 N ATOM 344 CA ALA A 906 2.207 16.759 18.772 1.00 0.00 C ATOM 345 C ALA A 906 1.675 15.572 17.984 1.00 0.00 C ATOM 346 O ALA A 906 2.374 15.024 17.127 1.00 0.00 O ATOM 347 CB ALA A 906 2.008 18.050 17.992 1.00 0.00 C ATOM 0 H ALA A 906 4.255 16.914 18.378 1.00 0.00 H new ATOM 0 HA ALA A 906 1.648 16.831 19.705 1.00 0.00 H new ATOM 0 HB1 ALA A 906 0.950 18.177 17.762 1.00 0.00 H new ATOM 0 HB2 ALA A 906 2.353 18.893 18.590 1.00 0.00 H new ATOM 0 HB3 ALA A 906 2.578 18.006 17.064 1.00 0.00 H new ATOM 353 N VAL A 907 0.453 15.165 18.283 1.00 0.00 N ATOM 354 CA VAL A 907 -0.193 14.106 17.533 1.00 0.00 C ATOM 355 C VAL A 907 -1.288 14.703 16.663 1.00 0.00 C ATOM 356 O VAL A 907 -2.196 15.369 17.162 1.00 0.00 O ATOM 357 CB VAL A 907 -0.798 13.031 18.460 1.00 0.00 C ATOM 358 CG1 VAL A 907 -1.395 11.897 17.642 1.00 0.00 C ATOM 359 CG2 VAL A 907 0.252 12.502 19.428 1.00 0.00 C ATOM 0 H VAL A 907 -0.110 15.553 19.040 1.00 0.00 H new ATOM 0 HA VAL A 907 0.563 13.622 16.914 1.00 0.00 H new ATOM 0 HB VAL A 907 -1.596 13.490 19.043 1.00 0.00 H new ATOM 0 HG11 VAL A 907 -1.817 11.148 18.312 1.00 0.00 H new ATOM 0 HG12 VAL A 907 -2.180 12.289 16.995 1.00 0.00 H new ATOM 0 HG13 VAL A 907 -0.616 11.440 17.031 1.00 0.00 H new ATOM 0 HG21 VAL A 907 -0.196 11.745 20.072 1.00 0.00 H new ATOM 0 HG22 VAL A 907 1.075 12.060 18.866 1.00 0.00 H new ATOM 0 HG23 VAL A 907 0.629 13.322 20.039 1.00 0.00 H new ATOM 369 N TRP A 908 -1.190 14.468 15.367 1.00 0.00 N ATOM 370 CA TRP A 908 -2.103 15.062 14.405 1.00 0.00 C ATOM 371 C TRP A 908 -3.022 13.996 13.813 1.00 0.00 C ATOM 372 O TRP A 908 -2.552 13.083 13.143 1.00 0.00 O ATOM 373 CB TRP A 908 -1.281 15.713 13.288 1.00 0.00 C ATOM 374 CG TRP A 908 -1.914 16.916 12.669 1.00 0.00 C ATOM 375 CD1 TRP A 908 -3.213 17.064 12.286 1.00 0.00 C ATOM 376 CD2 TRP A 908 -1.256 18.147 12.342 1.00 0.00 C ATOM 377 NE1 TRP A 908 -3.404 18.316 11.758 1.00 0.00 N ATOM 378 CE2 TRP A 908 -2.219 18.995 11.777 1.00 0.00 C ATOM 379 CE3 TRP A 908 0.055 18.613 12.482 1.00 0.00 C ATOM 380 CZ2 TRP A 908 -1.917 20.284 11.348 1.00 0.00 C ATOM 381 CZ3 TRP A 908 0.356 19.891 12.053 1.00 0.00 C ATOM 382 CH2 TRP A 908 -0.626 20.714 11.493 1.00 0.00 C ATOM 0 H TRP A 908 -0.480 13.864 14.953 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.720 15.810 14.904 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.308 15.997 13.689 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -1.101 14.972 12.509 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -3.978 16.308 12.383 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -4.289 18.681 11.407 1.00 0.00 H new ATOM 0 HE3 TRP A 908 0.818 17.985 12.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 -2.674 20.922 10.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 1.366 20.261 12.152 1.00 0.00 H new ATOM 0 HH2 TRP A 908 -0.360 21.709 11.168 1.00 0.00 H new ATOM 393 N VAL A 909 -4.320 14.094 14.059 1.00 0.00 N ATOM 394 CA VAL A 909 -5.264 13.192 13.410 1.00 0.00 C ATOM 395 C VAL A 909 -6.141 13.961 12.435 1.00 0.00 C ATOM 396 O VAL A 909 -6.845 14.896 12.807 1.00 0.00 O ATOM 397 CB VAL A 909 -6.163 12.418 14.403 1.00 0.00 C ATOM 398 CG1 VAL A 909 -7.091 11.462 13.648 1.00 0.00 C ATOM 399 CG2 VAL A 909 -5.318 11.656 15.416 1.00 0.00 C ATOM 0 H VAL A 909 -4.740 14.775 14.691 1.00 0.00 H new ATOM 0 HA VAL A 909 -4.660 12.454 12.883 1.00 0.00 H new ATOM 0 HB VAL A 909 -6.775 13.139 14.946 1.00 0.00 H new ATOM 0 HG11 VAL A 909 -7.717 10.925 14.360 1.00 0.00 H new ATOM 0 HG12 VAL A 909 -7.723 12.031 12.966 1.00 0.00 H new ATOM 0 HG13 VAL A 909 -6.494 10.749 13.079 1.00 0.00 H new ATOM 0 HG21 VAL A 909 -5.971 11.119 16.104 1.00 0.00 H new ATOM 0 HG22 VAL A 909 -4.678 10.945 14.894 1.00 0.00 H new ATOM 0 HG23 VAL A 909 -4.700 12.358 15.976 1.00 0.00 H new ATOM 409 N GLN A 910 -6.060 13.581 11.184 1.00 0.00 N ATOM 410 CA GLN A 910 -6.847 14.198 10.138 1.00 0.00 C ATOM 411 C GLN A 910 -7.990 13.268 9.746 1.00 0.00 C ATOM 412 O GLN A 910 -7.824 12.055 9.745 1.00 0.00 O ATOM 413 CB GLN A 910 -5.945 14.486 8.938 1.00 0.00 C ATOM 414 CG GLN A 910 -6.577 15.349 7.859 1.00 0.00 C ATOM 415 CD GLN A 910 -5.589 15.715 6.769 1.00 0.00 C ATOM 416 OE1 GLN A 910 -4.315 15.789 7.127 1.00 0.00 O flip ATOM 417 NE2 GLN A 910 -5.962 15.925 5.618 1.00 0.00 N flip ATOM 0 H GLN A 910 -5.446 12.834 10.859 1.00 0.00 H new ATOM 0 HA GLN A 910 -7.273 15.137 10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 910 -5.039 14.977 9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 910 -5.641 13.538 8.494 1.00 0.00 H new ATOM 0 HG2 GLN A 910 -7.421 14.818 7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 910 -6.973 16.259 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 910 -6.952 15.858 5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 910 -5.282 16.166 4.897 1.00 0.00 H new ATOM 426 N PHE A 911 -9.145 13.829 9.439 1.00 0.00 N ATOM 427 CA PHE A 911 -10.282 13.035 8.993 1.00 0.00 C ATOM 428 C PHE A 911 -10.306 12.939 7.474 1.00 0.00 C ATOM 429 O PHE A 911 -9.554 13.633 6.785 1.00 0.00 O ATOM 430 CB PHE A 911 -11.600 13.643 9.480 1.00 0.00 C ATOM 431 CG PHE A 911 -11.833 13.504 10.953 1.00 0.00 C ATOM 432 CD1 PHE A 911 -12.269 12.303 11.483 1.00 0.00 C ATOM 433 CD2 PHE A 911 -11.627 14.577 11.804 1.00 0.00 C ATOM 434 CE1 PHE A 911 -12.494 12.173 12.838 1.00 0.00 C ATOM 435 CE2 PHE A 911 -11.852 14.453 13.159 1.00 0.00 C ATOM 436 CZ PHE A 911 -12.286 13.248 13.678 1.00 0.00 C ATOM 0 H PHE A 911 -9.324 14.832 9.489 1.00 0.00 H new ATOM 0 HA PHE A 911 -10.173 12.037 9.417 1.00 0.00 H new ATOM 0 HB2 PHE A 911 -11.617 14.701 9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 911 -12.424 13.170 8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 911 -12.435 11.459 10.830 1.00 0.00 H new ATOM 0 HD2 PHE A 911 -11.287 15.520 11.403 1.00 0.00 H new ATOM 0 HE1 PHE A 911 -12.833 11.230 13.241 1.00 0.00 H new ATOM 0 HE2 PHE A 911 -11.689 15.296 13.814 1.00 0.00 H new ATOM 0 HZ PHE A 911 -12.462 13.148 14.739 1.00 0.00 H new ATOM 446 N ASN A 912 -11.187 12.091 6.962 1.00 0.00 N ATOM 447 CA ASN A 912 -11.382 11.944 5.521 1.00 0.00 C ATOM 448 C ASN A 912 -11.928 13.242 4.917 1.00 0.00 C ATOM 449 O ASN A 912 -11.799 13.492 3.721 1.00 0.00 O ATOM 450 CB ASN A 912 -12.349 10.782 5.245 1.00 0.00 C ATOM 451 CG ASN A 912 -12.567 10.523 3.764 1.00 0.00 C ATOM 452 OD1 ASN A 912 -11.672 10.718 2.944 1.00 0.00 O ATOM 453 ND2 ASN A 912 -13.765 10.075 3.411 1.00 0.00 N ATOM 0 H ASN A 912 -11.785 11.488 7.527 1.00 0.00 H new ATOM 0 HA ASN A 912 -10.420 11.728 5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.961 9.877 5.712 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -13.309 10.997 5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -13.968 9.880 2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -14.483 9.925 4.120 1.00 0.00 H new ATOM 460 N ASP A 913 -12.527 14.074 5.764 1.00 0.00 N ATOM 461 CA ASP A 913 -13.127 15.332 5.320 1.00 0.00 C ATOM 462 C ASP A 913 -12.101 16.462 5.280 1.00 0.00 C ATOM 463 O ASP A 913 -12.436 17.606 4.963 1.00 0.00 O ATOM 464 CB ASP A 913 -14.279 15.724 6.249 1.00 0.00 C ATOM 465 CG ASP A 913 -15.407 14.715 6.245 1.00 0.00 C ATOM 466 OD1 ASP A 913 -16.316 14.838 5.399 1.00 0.00 O ATOM 467 OD2 ASP A 913 -15.393 13.797 7.094 1.00 0.00 O ATOM 0 H ASP A 913 -12.611 13.900 6.766 1.00 0.00 H new ATOM 0 HA ASP A 913 -13.504 15.176 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 913 -13.899 15.833 7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 913 -14.667 16.697 5.948 1.00 0.00 H new ATOM 472 N GLY A 914 -10.854 16.142 5.603 1.00 0.00 N ATOM 473 CA GLY A 914 -9.790 17.130 5.547 1.00 0.00 C ATOM 474 C GLY A 914 -9.703 17.982 6.799 1.00 0.00 C ATOM 475 O GLY A 914 -8.914 18.924 6.860 1.00 0.00 O ATOM 0 H GLY A 914 -10.559 15.213 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 914 -8.838 16.622 5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 914 -9.948 17.777 4.684 1.00 0.00 H new ATOM 479 N SER A 915 -10.509 17.653 7.798 1.00 0.00 N ATOM 480 CA SER A 915 -10.473 18.357 9.071 1.00 0.00 C ATOM 481 C SER A 915 -9.565 17.606 10.040 1.00 0.00 C ATOM 482 O SER A 915 -9.401 16.397 9.916 1.00 0.00 O ATOM 483 CB SER A 915 -11.888 18.481 9.625 1.00 0.00 C ATOM 484 OG SER A 915 -12.758 19.032 8.645 1.00 0.00 O ATOM 0 H SER A 915 -11.197 16.901 7.751 1.00 0.00 H new ATOM 0 HA SER A 915 -10.072 19.361 8.932 1.00 0.00 H new ATOM 0 HB2 SER A 915 -12.252 17.501 9.933 1.00 0.00 H new ATOM 0 HB3 SER A 915 -11.884 19.113 10.513 1.00 0.00 H new ATOM 0 HG SER A 915 -13.663 19.104 9.014 1.00 0.00 H new ATOM 490 N GLN A 916 -8.959 18.311 10.986 1.00 0.00 N ATOM 491 CA GLN A 916 -7.892 17.718 11.786 1.00 0.00 C ATOM 492 C GLN A 916 -8.053 18.016 13.277 1.00 0.00 C ATOM 493 O GLN A 916 -8.742 18.958 13.656 1.00 0.00 O ATOM 494 CB GLN A 916 -6.553 18.264 11.296 1.00 0.00 C ATOM 495 CG GLN A 916 -6.387 18.208 9.783 1.00 0.00 C ATOM 496 CD GLN A 916 -5.238 19.057 9.283 1.00 0.00 C ATOM 497 OE1 GLN A 916 -4.895 20.072 9.885 1.00 0.00 O ATOM 498 NE2 GLN A 916 -4.641 18.656 8.175 1.00 0.00 N ATOM 0 H GLN A 916 -9.182 19.279 11.217 1.00 0.00 H new ATOM 0 HA GLN A 916 -7.938 16.636 11.666 1.00 0.00 H new ATOM 0 HB2 GLN A 916 -6.449 19.298 11.626 1.00 0.00 H new ATOM 0 HB3 GLN A 916 -5.747 17.698 11.763 1.00 0.00 H new ATOM 0 HG2 GLN A 916 -6.227 17.174 9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 916 -7.311 18.540 9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 916 -4.956 17.807 7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 916 -3.865 19.195 7.790 1.00 0.00 H new ATOM 507 N LEU A 917 -7.420 17.203 14.118 1.00 0.00 N ATOM 508 CA LEU A 917 -7.299 17.510 15.540 1.00 0.00 C ATOM 509 C LEU A 917 -5.890 17.180 16.025 1.00 0.00 C ATOM 510 O LEU A 917 -5.331 16.140 15.674 1.00 0.00 O ATOM 511 CB LEU A 917 -8.333 16.742 16.381 1.00 0.00 C ATOM 512 CG LEU A 917 -8.242 15.213 16.317 1.00 0.00 C ATOM 513 CD1 LEU A 917 -8.809 14.589 17.579 1.00 0.00 C ATOM 514 CD2 LEU A 917 -8.990 14.686 15.110 1.00 0.00 C ATOM 0 H LEU A 917 -6.982 16.325 13.839 1.00 0.00 H new ATOM 0 HA LEU A 917 -7.492 18.575 15.666 1.00 0.00 H new ATOM 0 HB2 LEU A 917 -8.228 17.050 17.421 1.00 0.00 H new ATOM 0 HB3 LEU A 917 -9.330 17.042 16.059 1.00 0.00 H new ATOM 0 HG LEU A 917 -7.190 14.942 16.230 1.00 0.00 H new ATOM 0 HD11 LEU A 917 -8.735 13.504 17.513 1.00 0.00 H new ATOM 0 HD12 LEU A 917 -8.245 14.939 18.443 1.00 0.00 H new ATOM 0 HD13 LEU A 917 -9.855 14.875 17.688 1.00 0.00 H new ATOM 0 HD21 LEU A 917 -8.914 13.599 15.081 1.00 0.00 H new ATOM 0 HD22 LEU A 917 -10.039 14.975 15.177 1.00 0.00 H new ATOM 0 HD23 LEU A 917 -8.556 15.104 14.202 1.00 0.00 H new ATOM 526 N VAL A 918 -5.316 18.076 16.813 1.00 0.00 N ATOM 527 CA VAL A 918 -3.993 17.862 17.387 1.00 0.00 C ATOM 528 C VAL A 918 -4.055 17.736 18.904 1.00 0.00 C ATOM 529 O VAL A 918 -4.645 18.575 19.587 1.00 0.00 O ATOM 530 CB VAL A 918 -3.003 18.987 17.014 1.00 0.00 C ATOM 531 CG1 VAL A 918 -2.584 18.861 15.561 1.00 0.00 C ATOM 532 CG2 VAL A 918 -3.604 20.360 17.280 1.00 0.00 C ATOM 0 H VAL A 918 -5.747 18.964 17.072 1.00 0.00 H new ATOM 0 HA VAL A 918 -3.630 16.926 16.961 1.00 0.00 H new ATOM 0 HB VAL A 918 -2.119 18.882 17.643 1.00 0.00 H new ATOM 0 HG11 VAL A 918 -1.886 19.661 15.313 1.00 0.00 H new ATOM 0 HG12 VAL A 918 -2.101 17.896 15.404 1.00 0.00 H new ATOM 0 HG13 VAL A 918 -3.463 18.935 14.921 1.00 0.00 H new ATOM 0 HG21 VAL A 918 -2.884 21.131 17.008 1.00 0.00 H new ATOM 0 HG22 VAL A 918 -4.509 20.482 16.685 1.00 0.00 H new ATOM 0 HG23 VAL A 918 -3.850 20.451 18.338 1.00 0.00 H new ATOM 542 N VAL A 919 -3.469 16.676 19.424 1.00 0.00 N ATOM 543 CA VAL A 919 -3.300 16.533 20.858 1.00 0.00 C ATOM 544 C VAL A 919 -1.811 16.475 21.184 1.00 0.00 C ATOM 545 O VAL A 919 -1.038 15.827 20.477 1.00 0.00 O ATOM 546 CB VAL A 919 -4.034 15.290 21.420 1.00 0.00 C ATOM 547 CG1 VAL A 919 -3.470 14.002 20.847 1.00 0.00 C ATOM 548 CG2 VAL A 919 -3.979 15.268 22.940 1.00 0.00 C ATOM 0 H VAL A 919 -3.101 15.899 18.875 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.751 17.401 21.340 1.00 0.00 H new ATOM 0 HB VAL A 919 -5.078 15.361 21.113 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -4.009 13.151 21.264 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -3.582 14.006 19.763 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -2.413 13.922 21.102 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.501 14.386 23.310 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.939 15.238 23.266 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -4.457 16.165 23.334 1.00 0.00 H new ATOM 558 N GLN A 920 -1.401 17.179 22.224 1.00 0.00 N ATOM 559 CA GLN A 920 0.005 17.232 22.584 1.00 0.00 C ATOM 560 C GLN A 920 0.319 16.143 23.597 1.00 0.00 C ATOM 561 O GLN A 920 -0.489 15.867 24.484 1.00 0.00 O ATOM 562 CB GLN A 920 0.351 18.608 23.155 1.00 0.00 C ATOM 563 CG GLN A 920 -0.180 19.755 22.308 1.00 0.00 C ATOM 564 CD GLN A 920 0.213 21.123 22.834 1.00 0.00 C ATOM 565 OE1 GLN A 920 0.429 21.307 24.033 1.00 0.00 O ATOM 566 NE2 GLN A 920 0.285 22.099 21.943 1.00 0.00 N ATOM 0 H GLN A 920 -2.017 17.719 22.831 1.00 0.00 H new ATOM 0 HA GLN A 920 0.608 17.067 21.691 1.00 0.00 H new ATOM 0 HB2 GLN A 920 -0.056 18.690 24.163 1.00 0.00 H new ATOM 0 HB3 GLN A 920 1.434 18.698 23.240 1.00 0.00 H new ATOM 0 HG2 GLN A 920 0.190 19.646 21.288 1.00 0.00 H new ATOM 0 HG3 GLN A 920 -1.267 19.690 22.262 1.00 0.00 H new ATOM 0 HE21 GLN A 920 0.099 21.906 20.959 1.00 0.00 H new ATOM 0 HE22 GLN A 920 0.527 23.044 22.240 1.00 0.00 H new ATOM 575 N ALA A 921 1.480 15.516 23.459 1.00 0.00 N ATOM 576 CA ALA A 921 1.884 14.461 24.379 1.00 0.00 C ATOM 577 C ALA A 921 1.944 14.989 25.808 1.00 0.00 C ATOM 578 O ALA A 921 2.567 16.017 26.072 1.00 0.00 O ATOM 579 CB ALA A 921 3.234 13.891 23.973 1.00 0.00 C ATOM 0 H ALA A 921 2.156 15.718 22.722 1.00 0.00 H new ATOM 0 HA ALA A 921 1.140 13.665 24.335 1.00 0.00 H new ATOM 0 HB1 ALA A 921 3.521 13.104 24.670 1.00 0.00 H new ATOM 0 HB2 ALA A 921 3.167 13.477 22.967 1.00 0.00 H new ATOM 0 HB3 ALA A 921 3.983 14.682 23.990 1.00 0.00 H new ATOM 585 N GLY A 922 1.283 14.289 26.720 1.00 0.00 N ATOM 586 CA GLY A 922 1.268 14.698 28.114 1.00 0.00 C ATOM 587 C GLY A 922 0.124 15.646 28.425 1.00 0.00 C ATOM 588 O GLY A 922 -0.107 15.995 29.585 1.00 0.00 O ATOM 0 H GLY A 922 0.754 13.440 26.519 1.00 0.00 H new ATOM 0 HA2 GLY A 922 1.188 13.815 28.748 1.00 0.00 H new ATOM 0 HA3 GLY A 922 2.214 15.181 28.359 1.00 0.00 H new ATOM 592 N VAL A 923 -0.599 16.057 27.390 1.00 0.00 N ATOM 593 CA VAL A 923 -1.706 16.988 27.544 1.00 0.00 C ATOM 594 C VAL A 923 -3.028 16.283 27.257 1.00 0.00 C ATOM 595 O VAL A 923 -3.149 15.545 26.283 1.00 0.00 O ATOM 596 CB VAL A 923 -1.547 18.207 26.604 1.00 0.00 C ATOM 597 CG1 VAL A 923 -2.647 19.229 26.846 1.00 0.00 C ATOM 598 CG2 VAL A 923 -0.178 18.846 26.784 1.00 0.00 C ATOM 0 H VAL A 923 -0.435 15.756 26.429 1.00 0.00 H new ATOM 0 HA VAL A 923 -1.703 17.347 28.573 1.00 0.00 H new ATOM 0 HB VAL A 923 -1.633 17.854 25.576 1.00 0.00 H new ATOM 0 HG11 VAL A 923 -2.512 20.075 26.173 1.00 0.00 H new ATOM 0 HG12 VAL A 923 -3.618 18.769 26.661 1.00 0.00 H new ATOM 0 HG13 VAL A 923 -2.601 19.576 27.878 1.00 0.00 H new ATOM 0 HG21 VAL A 923 -0.085 19.701 26.115 1.00 0.00 H new ATOM 0 HG22 VAL A 923 -0.065 19.179 27.816 1.00 0.00 H new ATOM 0 HG23 VAL A 923 0.598 18.117 26.551 1.00 0.00 H new ATOM 608 N SER A 924 -4.011 16.508 28.113 1.00 0.00 N ATOM 609 CA SER A 924 -5.305 15.860 27.982 1.00 0.00 C ATOM 610 C SER A 924 -6.254 16.712 27.142 1.00 0.00 C ATOM 611 O SER A 924 -7.374 16.303 26.845 1.00 0.00 O ATOM 612 CB SER A 924 -5.898 15.602 29.367 1.00 0.00 C ATOM 613 OG SER A 924 -4.982 14.892 30.186 1.00 0.00 O ATOM 0 H SER A 924 -3.936 17.139 28.911 1.00 0.00 H new ATOM 0 HA SER A 924 -5.169 14.906 27.472 1.00 0.00 H new ATOM 0 HB2 SER A 924 -6.155 16.550 29.839 1.00 0.00 H new ATOM 0 HB3 SER A 924 -6.823 15.033 29.271 1.00 0.00 H new ATOM 0 HG SER A 924 -5.382 14.740 31.068 1.00 0.00 H new ATOM 619 N SER A 925 -5.803 17.906 26.779 1.00 0.00 N ATOM 620 CA SER A 925 -6.611 18.825 25.990 1.00 0.00 C ATOM 621 C SER A 925 -6.278 18.689 24.503 1.00 0.00 C ATOM 622 O SER A 925 -5.107 18.705 24.115 1.00 0.00 O ATOM 623 CB SER A 925 -6.367 20.264 26.451 1.00 0.00 C ATOM 624 OG SER A 925 -6.514 20.388 27.859 1.00 0.00 O ATOM 0 H SER A 925 -4.878 18.261 27.020 1.00 0.00 H new ATOM 0 HA SER A 925 -7.662 18.577 26.135 1.00 0.00 H new ATOM 0 HB2 SER A 925 -5.364 20.576 26.159 1.00 0.00 H new ATOM 0 HB3 SER A 925 -7.067 20.932 25.950 1.00 0.00 H new ATOM 0 HG SER A 925 -7.247 19.813 28.163 1.00 0.00 H new ATOM 630 N ILE A 926 -7.304 18.570 23.670 1.00 0.00 N ATOM 631 CA ILE A 926 -7.098 18.372 22.242 1.00 0.00 C ATOM 632 C ILE A 926 -7.588 19.597 21.475 1.00 0.00 C ATOM 633 O ILE A 926 -8.556 20.239 21.873 1.00 0.00 O ATOM 634 CB ILE A 926 -7.834 17.111 21.710 1.00 0.00 C ATOM 635 CG1 ILE A 926 -7.572 15.889 22.600 1.00 0.00 C ATOM 636 CG2 ILE A 926 -7.407 16.802 20.282 1.00 0.00 C ATOM 637 CD1 ILE A 926 -8.507 15.778 23.787 1.00 0.00 C ATOM 0 H ILE A 926 -8.282 18.607 23.957 1.00 0.00 H new ATOM 0 HA ILE A 926 -6.029 18.227 22.087 1.00 0.00 H new ATOM 0 HB ILE A 926 -8.902 17.328 21.728 1.00 0.00 H new ATOM 0 HG12 ILE A 926 -7.661 14.986 21.995 1.00 0.00 H new ATOM 0 HG13 ILE A 926 -6.545 15.930 22.962 1.00 0.00 H new ATOM 0 HG21 ILE A 926 -7.934 15.916 19.928 1.00 0.00 H new ATOM 0 HG22 ILE A 926 -7.648 17.648 19.639 1.00 0.00 H new ATOM 0 HG23 ILE A 926 -6.333 16.620 20.255 1.00 0.00 H new ATOM 0 HD11 ILE A 926 -8.257 14.889 24.366 1.00 0.00 H new ATOM 0 HD12 ILE A 926 -8.402 16.662 24.416 1.00 0.00 H new ATOM 0 HD13 ILE A 926 -9.536 15.703 23.434 1.00 0.00 H new ATOM 649 N SER A 927 -6.926 19.919 20.380 1.00 0.00 N ATOM 650 CA SER A 927 -7.292 21.079 19.591 1.00 0.00 C ATOM 651 C SER A 927 -7.774 20.640 18.214 1.00 0.00 C ATOM 652 O SER A 927 -7.021 20.049 17.446 1.00 0.00 O ATOM 653 CB SER A 927 -6.091 22.017 19.460 1.00 0.00 C ATOM 654 OG SER A 927 -5.527 22.305 20.733 1.00 0.00 O ATOM 0 H SER A 927 -6.131 19.393 20.017 1.00 0.00 H new ATOM 0 HA SER A 927 -8.101 21.612 20.091 1.00 0.00 H new ATOM 0 HB2 SER A 927 -5.337 21.560 18.819 1.00 0.00 H new ATOM 0 HB3 SER A 927 -6.400 22.944 18.977 1.00 0.00 H new ATOM 0 HG SER A 927 -4.760 22.905 20.623 1.00 0.00 H new ATOM 660 N TYR A 928 -9.026 20.920 17.908 1.00 0.00 N ATOM 661 CA TYR A 928 -9.589 20.536 16.627 1.00 0.00 C ATOM 662 C TYR A 928 -9.506 21.713 15.668 1.00 0.00 C ATOM 663 O TYR A 928 -9.957 22.812 15.985 1.00 0.00 O ATOM 664 CB TYR A 928 -11.048 20.094 16.815 1.00 0.00 C ATOM 665 CG TYR A 928 -11.734 19.623 15.549 1.00 0.00 C ATOM 666 CD1 TYR A 928 -12.304 20.531 14.666 1.00 0.00 C ATOM 667 CD2 TYR A 928 -11.820 18.272 15.244 1.00 0.00 C ATOM 668 CE1 TYR A 928 -12.938 20.107 13.516 1.00 0.00 C ATOM 669 CE2 TYR A 928 -12.451 17.839 14.094 1.00 0.00 C ATOM 670 CZ TYR A 928 -13.008 18.760 13.232 1.00 0.00 C ATOM 671 OH TYR A 928 -13.646 18.336 12.092 1.00 0.00 O ATOM 0 H TYR A 928 -9.672 21.411 18.527 1.00 0.00 H new ATOM 0 HA TYR A 928 -9.025 19.701 16.211 1.00 0.00 H new ATOM 0 HB2 TYR A 928 -11.078 19.289 17.549 1.00 0.00 H new ATOM 0 HB3 TYR A 928 -11.615 20.927 17.231 1.00 0.00 H new ATOM 0 HD1 TYR A 928 -12.250 21.588 14.883 1.00 0.00 H new ATOM 0 HD2 TYR A 928 -11.386 17.547 15.917 1.00 0.00 H new ATOM 0 HE1 TYR A 928 -13.377 20.827 12.842 1.00 0.00 H new ATOM 0 HE2 TYR A 928 -12.508 16.784 13.871 1.00 0.00 H new ATOM 0 HH TYR A 928 -13.606 17.358 12.039 1.00 0.00 H new ATOM 681 N THR A 929 -8.934 21.484 14.503 1.00 0.00 N ATOM 682 CA THR A 929 -8.782 22.535 13.522 1.00 0.00 C ATOM 683 C THR A 929 -9.622 22.248 12.282 1.00 0.00 C ATOM 684 O THR A 929 -9.600 21.139 11.732 1.00 0.00 O ATOM 685 CB THR A 929 -7.297 22.750 13.143 1.00 0.00 C ATOM 686 OG1 THR A 929 -7.173 23.840 12.225 1.00 0.00 O ATOM 687 CG2 THR A 929 -6.682 21.498 12.539 1.00 0.00 C ATOM 0 H THR A 929 -8.567 20.577 14.214 1.00 0.00 H new ATOM 0 HA THR A 929 -9.143 23.459 13.974 1.00 0.00 H new ATOM 0 HB THR A 929 -6.756 22.982 14.060 1.00 0.00 H new ATOM 0 HG1 THR A 929 -7.065 24.677 12.723 1.00 0.00 H new ATOM 0 HG21 THR A 929 -5.639 21.690 12.287 1.00 0.00 H new ATOM 0 HG22 THR A 929 -6.736 20.682 13.260 1.00 0.00 H new ATOM 0 HG23 THR A 929 -7.229 21.223 11.637 1.00 0.00 H new ATOM 695 N SER A 930 -10.382 23.240 11.861 1.00 0.00 N ATOM 696 CA SER A 930 -11.183 23.123 10.663 1.00 0.00 C ATOM 697 C SER A 930 -10.724 24.160 9.642 1.00 0.00 C ATOM 698 O SER A 930 -10.893 25.363 9.860 1.00 0.00 O ATOM 699 CB SER A 930 -12.667 23.312 10.997 1.00 0.00 C ATOM 700 OG SER A 930 -13.491 23.030 9.877 1.00 0.00 O ATOM 0 H SER A 930 -10.460 24.140 12.335 1.00 0.00 H new ATOM 0 HA SER A 930 -11.055 22.127 10.238 1.00 0.00 H new ATOM 0 HB2 SER A 930 -12.941 22.659 11.825 1.00 0.00 H new ATOM 0 HB3 SER A 930 -12.839 24.336 11.328 1.00 0.00 H new ATOM 0 HG SER A 930 -14.431 23.158 10.122 1.00 0.00 H new ATOM 706 N PRO A 931 -10.108 23.702 8.535 1.00 0.00 N ATOM 707 CA PRO A 931 -9.653 24.577 7.446 1.00 0.00 C ATOM 708 C PRO A 931 -10.801 25.387 6.861 1.00 0.00 C ATOM 709 O PRO A 931 -11.933 24.899 6.786 1.00 0.00 O ATOM 710 CB PRO A 931 -9.090 23.603 6.405 1.00 0.00 C ATOM 711 CG PRO A 931 -8.772 22.368 7.172 1.00 0.00 C ATOM 712 CD PRO A 931 -9.805 22.288 8.259 1.00 0.00 C ATOM 0 HA PRO A 931 -8.921 25.311 7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 931 -9.816 23.403 5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 931 -8.201 24.009 5.923 1.00 0.00 H new ATOM 0 HG2 PRO A 931 -8.810 21.488 6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 931 -7.766 22.415 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 931 -10.691 21.742 7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 931 -9.422 21.778 9.143 1.00 0.00 H new ATOM 720 N ASN A 932 -10.503 26.622 6.460 1.00 0.00 N ATOM 721 CA ASN A 932 -11.519 27.576 6.003 1.00 0.00 C ATOM 722 C ASN A 932 -12.460 27.937 7.145 1.00 0.00 C ATOM 723 O ASN A 932 -13.502 28.560 6.940 1.00 0.00 O ATOM 724 CB ASN A 932 -12.318 27.034 4.806 1.00 0.00 C ATOM 725 CG ASN A 932 -11.506 26.992 3.523 1.00 0.00 C ATOM 726 OD1 ASN A 932 -10.288 26.827 3.544 1.00 0.00 O ATOM 727 ND2 ASN A 932 -12.181 27.140 2.393 1.00 0.00 N ATOM 0 H ASN A 932 -9.552 26.991 6.442 1.00 0.00 H new ATOM 0 HA ASN A 932 -10.998 28.474 5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 932 -12.674 26.030 5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 932 -13.199 27.657 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 932 -11.690 27.119 1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 932 -13.192 27.275 2.417 1.00 0.00 H new ATOM 734 N GLY A 933 -12.068 27.567 8.354 1.00 0.00 N ATOM 735 CA GLY A 933 -12.873 27.835 9.519 1.00 0.00 C ATOM 736 C GLY A 933 -12.054 28.454 10.627 1.00 0.00 C ATOM 737 O GLY A 933 -11.885 29.671 10.652 1.00 0.00 O ATOM 0 H GLY A 933 -11.193 27.079 8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 933 -13.690 28.505 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 933 -13.323 26.908 9.873 1.00 0.00 H new ATOM 741 N GLN A 934 -11.511 27.602 11.498 1.00 0.00 N ATOM 742 CA GLN A 934 -10.763 28.024 12.691 1.00 0.00 C ATOM 743 C GLN A 934 -10.326 26.802 13.488 1.00 0.00 C ATOM 744 O GLN A 934 -10.775 25.686 13.218 1.00 0.00 O ATOM 745 CB GLN A 934 -11.611 28.928 13.599 1.00 0.00 C ATOM 746 CG GLN A 934 -11.426 30.415 13.352 1.00 0.00 C ATOM 747 CD GLN A 934 -12.421 31.258 14.116 1.00 0.00 C ATOM 748 OE1 GLN A 934 -13.535 30.818 14.407 1.00 0.00 O ATOM 749 NE2 GLN A 934 -12.032 32.479 14.432 1.00 0.00 N ATOM 0 H GLN A 934 -11.577 26.589 11.397 1.00 0.00 H new ATOM 0 HA GLN A 934 -9.894 28.587 12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 934 -12.663 28.677 13.461 1.00 0.00 H new ATOM 0 HB3 GLN A 934 -11.365 28.711 14.639 1.00 0.00 H new ATOM 0 HG2 GLN A 934 -10.415 30.704 13.638 1.00 0.00 H new ATOM 0 HG3 GLN A 934 -11.526 30.618 12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 934 -11.100 32.801 14.171 1.00 0.00 H new ATOM 0 HE22 GLN A 934 -12.663 33.101 14.938 1.00 0.00 H new ATOM 758 N THR A 935 -9.440 27.006 14.453 1.00 0.00 N ATOM 759 CA THR A 935 -9.057 25.941 15.364 1.00 0.00 C ATOM 760 C THR A 935 -9.703 26.155 16.735 1.00 0.00 C ATOM 761 O THR A 935 -9.568 27.225 17.334 1.00 0.00 O ATOM 762 CB THR A 935 -7.525 25.867 15.518 1.00 0.00 C ATOM 763 OG1 THR A 935 -6.916 25.728 14.226 1.00 0.00 O ATOM 764 CG2 THR A 935 -7.118 24.697 16.406 1.00 0.00 C ATOM 0 H THR A 935 -8.975 27.898 14.624 1.00 0.00 H new ATOM 0 HA THR A 935 -9.409 24.999 14.943 1.00 0.00 H new ATOM 0 HB THR A 935 -7.184 26.789 15.989 1.00 0.00 H new ATOM 0 HG1 THR A 935 -5.942 25.683 14.327 1.00 0.00 H new ATOM 0 HG21 THR A 935 -6.032 24.670 16.497 1.00 0.00 H new ATOM 0 HG22 THR A 935 -7.562 24.819 17.394 1.00 0.00 H new ATOM 0 HG23 THR A 935 -7.469 23.765 15.963 1.00 0.00 H new ATOM 772 N THR A 936 -10.406 25.144 17.224 1.00 0.00 N ATOM 773 CA THR A 936 -11.027 25.202 18.539 1.00 0.00 C ATOM 774 C THR A 936 -10.463 24.106 19.444 1.00 0.00 C ATOM 775 O THR A 936 -10.424 22.935 19.063 1.00 0.00 O ATOM 776 CB THR A 936 -12.558 25.057 18.425 1.00 0.00 C ATOM 777 OG1 THR A 936 -13.055 25.990 17.455 1.00 0.00 O ATOM 778 CG2 THR A 936 -13.229 25.313 19.765 1.00 0.00 C ATOM 0 H THR A 936 -10.561 24.268 16.726 1.00 0.00 H new ATOM 0 HA THR A 936 -10.802 26.173 18.979 1.00 0.00 H new ATOM 0 HB THR A 936 -12.787 24.038 18.113 1.00 0.00 H new ATOM 0 HG1 THR A 936 -14.028 25.897 17.381 1.00 0.00 H new ATOM 0 HG21 THR A 936 -14.308 25.205 19.658 1.00 0.00 H new ATOM 0 HG22 THR A 936 -12.863 24.594 20.498 1.00 0.00 H new ATOM 0 HG23 THR A 936 -12.997 26.324 20.101 1.00 0.00 H new ATOM 786 N ARG A 937 -10.021 24.476 20.636 1.00 0.00 N ATOM 787 CA ARG A 937 -9.462 23.504 21.559 1.00 0.00 C ATOM 788 C ARG A 937 -10.484 23.088 22.610 1.00 0.00 C ATOM 789 O ARG A 937 -11.093 23.924 23.278 1.00 0.00 O ATOM 790 CB ARG A 937 -8.201 24.059 22.228 1.00 0.00 C ATOM 791 CG ARG A 937 -8.407 25.396 22.927 1.00 0.00 C ATOM 792 CD ARG A 937 -7.153 25.838 23.662 1.00 0.00 C ATOM 793 NE ARG A 937 -6.809 24.921 24.749 1.00 0.00 N ATOM 794 CZ ARG A 937 -5.603 24.378 24.920 1.00 0.00 C ATOM 795 NH1 ARG A 937 -4.627 24.628 24.056 1.00 0.00 N ATOM 796 NH2 ARG A 937 -5.365 23.588 25.962 1.00 0.00 N ATOM 0 H ARG A 937 -10.039 25.435 20.984 1.00 0.00 H new ATOM 0 HA ARG A 937 -9.191 22.618 20.985 1.00 0.00 H new ATOM 0 HB2 ARG A 937 -7.839 23.333 22.955 1.00 0.00 H new ATOM 0 HB3 ARG A 937 -7.422 24.171 21.474 1.00 0.00 H new ATOM 0 HG2 ARG A 937 -8.686 26.152 22.193 1.00 0.00 H new ATOM 0 HG3 ARG A 937 -9.234 25.316 23.632 1.00 0.00 H new ATOM 0 HD2 ARG A 937 -6.322 25.897 22.960 1.00 0.00 H new ATOM 0 HD3 ARG A 937 -7.302 26.840 24.065 1.00 0.00 H new ATOM 0 HE ARG A 937 -7.539 24.681 25.420 1.00 0.00 H new ATOM 0 HH11 ARG A 937 -4.797 25.238 23.257 1.00 0.00 H new ATOM 0 HH12 ARG A 937 -3.706 24.210 24.192 1.00 0.00 H new ATOM 0 HH21 ARG A 937 -6.106 23.395 26.635 1.00 0.00 H new ATOM 0 HH22 ARG A 937 -4.441 23.175 26.088 1.00 0.00 H new ATOM 810 N TYR A 938 -10.676 21.788 22.745 1.00 0.00 N ATOM 811 CA TYR A 938 -11.542 21.248 23.775 1.00 0.00 C ATOM 812 C TYR A 938 -10.712 20.533 24.831 1.00 0.00 C ATOM 813 O TYR A 938 -9.755 19.824 24.513 1.00 0.00 O ATOM 814 CB TYR A 938 -12.612 20.322 23.182 1.00 0.00 C ATOM 815 CG TYR A 938 -12.087 19.256 22.243 1.00 0.00 C ATOM 816 CD1 TYR A 938 -11.904 19.528 20.893 1.00 0.00 C ATOM 817 CD2 TYR A 938 -11.794 17.975 22.699 1.00 0.00 C ATOM 818 CE1 TYR A 938 -11.439 18.559 20.026 1.00 0.00 C ATOM 819 CE2 TYR A 938 -11.331 17.000 21.835 1.00 0.00 C ATOM 820 CZ TYR A 938 -11.155 17.296 20.501 1.00 0.00 C ATOM 821 OH TYR A 938 -10.697 16.328 19.638 1.00 0.00 O ATOM 0 H TYR A 938 -10.240 21.084 22.150 1.00 0.00 H new ATOM 0 HA TYR A 938 -12.068 22.076 24.251 1.00 0.00 H new ATOM 0 HB2 TYR A 938 -13.143 19.835 24.000 1.00 0.00 H new ATOM 0 HB3 TYR A 938 -13.341 20.930 22.646 1.00 0.00 H new ATOM 0 HD1 TYR A 938 -12.129 20.514 20.515 1.00 0.00 H new ATOM 0 HD2 TYR A 938 -11.930 17.738 23.744 1.00 0.00 H new ATOM 0 HE1 TYR A 938 -11.298 18.789 18.980 1.00 0.00 H new ATOM 0 HE2 TYR A 938 -11.108 16.010 22.204 1.00 0.00 H new ATOM 0 HH TYR A 938 -10.544 15.495 20.132 1.00 0.00 H new ATOM 831 N GLY A 939 -11.072 20.729 26.086 1.00 0.00 N ATOM 832 CA GLY A 939 -10.291 20.181 27.172 1.00 0.00 C ATOM 833 C GLY A 939 -10.757 18.805 27.586 1.00 0.00 C ATOM 834 O GLY A 939 -11.714 18.267 27.028 1.00 0.00 O ATOM 0 H GLY A 939 -11.894 21.260 26.374 1.00 0.00 H new ATOM 0 HA2 GLY A 939 -9.244 20.131 26.873 1.00 0.00 H new ATOM 0 HA3 GLY A 939 -10.346 20.852 28.029 1.00 0.00 H new ATOM 838 N GLU A 940 -10.089 18.245 28.581 1.00 0.00 N ATOM 839 CA GLU A 940 -10.423 16.931 29.105 1.00 0.00 C ATOM 840 C GLU A 940 -11.794 16.940 29.786 1.00 0.00 C ATOM 841 O GLU A 940 -12.361 15.885 30.078 1.00 0.00 O ATOM 842 CB GLU A 940 -9.337 16.444 30.081 1.00 0.00 C ATOM 843 CG GLU A 940 -8.935 17.454 31.149 1.00 0.00 C ATOM 844 CD GLU A 940 -7.856 18.426 30.690 1.00 0.00 C ATOM 845 OE1 GLU A 940 -8.175 19.373 29.942 1.00 0.00 O ATOM 846 OE2 GLU A 940 -6.683 18.258 31.093 1.00 0.00 O ATOM 0 H GLU A 940 -9.299 18.689 29.049 1.00 0.00 H new ATOM 0 HA GLU A 940 -10.469 16.237 28.265 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -9.691 15.538 30.573 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -8.451 16.170 29.509 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -9.816 18.019 31.454 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -8.580 16.918 32.029 1.00 0.00 H new ATOM 853 N ASN A 941 -12.321 18.136 30.032 1.00 0.00 N ATOM 854 CA ASN A 941 -13.636 18.289 30.647 1.00 0.00 C ATOM 855 C ASN A 941 -14.728 18.391 29.579 1.00 0.00 C ATOM 856 O ASN A 941 -15.912 18.473 29.893 1.00 0.00 O ATOM 857 CB ASN A 941 -13.636 19.549 31.531 1.00 0.00 C ATOM 858 CG ASN A 941 -14.925 19.759 32.309 1.00 0.00 C ATOM 859 OD1 ASN A 941 -15.083 19.254 33.419 1.00 0.00 O ATOM 860 ND2 ASN A 941 -15.840 20.532 31.745 1.00 0.00 N ATOM 0 H ASN A 941 -11.855 19.017 29.814 1.00 0.00 H new ATOM 0 HA ASN A 941 -13.847 17.412 31.259 1.00 0.00 H new ATOM 0 HB2 ASN A 941 -12.805 19.487 32.234 1.00 0.00 H new ATOM 0 HB3 ASN A 941 -13.457 20.421 30.902 1.00 0.00 H new ATOM 0 HD21 ASN A 941 -16.714 20.727 32.233 1.00 0.00 H new ATOM 0 HD22 ASN A 941 -15.671 20.932 30.822 1.00 0.00 H new ATOM 867 N GLU A 942 -14.340 18.332 28.310 1.00 0.00 N ATOM 868 CA GLU A 942 -15.306 18.461 27.229 1.00 0.00 C ATOM 869 C GLU A 942 -15.807 17.097 26.793 1.00 0.00 C ATOM 870 O GLU A 942 -15.045 16.129 26.742 1.00 0.00 O ATOM 871 CB GLU A 942 -14.711 19.216 26.041 1.00 0.00 C ATOM 872 CG GLU A 942 -14.491 20.699 26.307 1.00 0.00 C ATOM 873 CD GLU A 942 -15.764 21.418 26.717 1.00 0.00 C ATOM 874 OE1 GLU A 942 -16.731 21.436 25.923 1.00 0.00 O ATOM 875 OE2 GLU A 942 -15.800 21.974 27.835 1.00 0.00 O ATOM 0 H GLU A 942 -13.375 18.197 28.008 1.00 0.00 H new ATOM 0 HA GLU A 942 -16.151 19.038 27.605 1.00 0.00 H new ATOM 0 HB2 GLU A 942 -13.759 18.759 25.771 1.00 0.00 H new ATOM 0 HB3 GLU A 942 -15.373 19.104 25.182 1.00 0.00 H new ATOM 0 HG2 GLU A 942 -13.744 20.816 27.092 1.00 0.00 H new ATOM 0 HG3 GLU A 942 -14.087 21.168 25.410 1.00 0.00 H new ATOM 882 N LYS A 943 -17.092 17.027 26.494 1.00 0.00 N ATOM 883 CA LYS A 943 -17.728 15.775 26.116 1.00 0.00 C ATOM 884 C LYS A 943 -17.720 15.614 24.603 1.00 0.00 C ATOM 885 O LYS A 943 -18.219 16.476 23.877 1.00 0.00 O ATOM 886 CB LYS A 943 -19.171 15.750 26.622 1.00 0.00 C ATOM 887 CG LYS A 943 -19.338 16.269 28.042 1.00 0.00 C ATOM 888 CD LYS A 943 -20.807 16.421 28.405 1.00 0.00 C ATOM 889 CE LYS A 943 -21.542 17.304 27.406 1.00 0.00 C ATOM 890 NZ LYS A 943 -20.999 18.690 27.363 1.00 0.00 N ATOM 0 H LYS A 943 -17.721 17.830 26.506 1.00 0.00 H new ATOM 0 HA LYS A 943 -17.171 14.953 26.565 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -19.790 16.347 25.953 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -19.544 14.727 26.574 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -18.857 15.584 28.741 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -18.835 17.231 28.142 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -21.278 15.438 28.438 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -20.893 16.850 29.403 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -21.473 16.859 26.413 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -22.600 17.339 27.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -21.575 19.269 26.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -21.026 19.103 28.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -20.017 18.668 27.023 1.00 0.00 H new ATOM 904 N LEU A 944 -17.151 14.519 24.130 1.00 0.00 N ATOM 905 CA LEU A 944 -17.142 14.227 22.705 1.00 0.00 C ATOM 906 C LEU A 944 -18.289 13.286 22.356 1.00 0.00 C ATOM 907 O LEU A 944 -18.535 12.310 23.066 1.00 0.00 O ATOM 908 CB LEU A 944 -15.803 13.619 22.267 1.00 0.00 C ATOM 909 CG LEU A 944 -14.591 14.558 22.335 1.00 0.00 C ATOM 910 CD1 LEU A 944 -14.924 15.913 21.731 1.00 0.00 C ATOM 911 CD2 LEU A 944 -14.090 14.711 23.762 1.00 0.00 C ATOM 0 H LEU A 944 -16.690 13.818 24.710 1.00 0.00 H new ATOM 0 HA LEU A 944 -17.274 15.166 22.168 1.00 0.00 H new ATOM 0 HB2 LEU A 944 -15.600 12.748 22.890 1.00 0.00 H new ATOM 0 HB3 LEU A 944 -15.905 13.262 21.242 1.00 0.00 H new ATOM 0 HG LEU A 944 -13.789 14.109 21.748 1.00 0.00 H new ATOM 0 HD11 LEU A 944 -14.050 16.562 21.790 1.00 0.00 H new ATOM 0 HD12 LEU A 944 -15.211 15.785 20.687 1.00 0.00 H new ATOM 0 HD13 LEU A 944 -15.749 16.364 22.282 1.00 0.00 H new ATOM 0 HD21 LEU A 944 -13.231 15.382 23.776 1.00 0.00 H new ATOM 0 HD22 LEU A 944 -14.884 15.125 24.384 1.00 0.00 H new ATOM 0 HD23 LEU A 944 -13.795 13.736 24.151 1.00 0.00 H new ATOM 923 N PRO A 945 -19.008 13.576 21.260 1.00 0.00 N ATOM 924 CA PRO A 945 -20.187 12.804 20.853 1.00 0.00 C ATOM 925 C PRO A 945 -19.870 11.340 20.545 1.00 0.00 C ATOM 926 O PRO A 945 -20.200 10.445 21.330 1.00 0.00 O ATOM 927 CB PRO A 945 -20.683 13.526 19.592 1.00 0.00 C ATOM 928 CG PRO A 945 -20.061 14.879 19.652 1.00 0.00 C ATOM 929 CD PRO A 945 -18.742 14.693 20.340 1.00 0.00 C ATOM 0 HA PRO A 945 -20.926 12.762 21.653 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -20.384 12.994 18.689 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -21.771 13.592 19.577 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -19.926 15.292 18.652 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -20.694 15.576 20.202 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -17.947 14.454 19.633 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -18.434 15.592 20.874 1.00 0.00 H new ATOM 937 N ASP A 946 -19.223 11.090 19.412 1.00 0.00 N ATOM 938 CA ASP A 946 -18.916 9.723 19.015 1.00 0.00 C ATOM 939 C ASP A 946 -17.587 9.627 18.280 1.00 0.00 C ATOM 940 O ASP A 946 -16.606 9.133 18.828 1.00 0.00 O ATOM 941 CB ASP A 946 -20.025 9.158 18.130 1.00 0.00 C ATOM 942 CG ASP A 946 -19.792 7.699 17.798 1.00 0.00 C ATOM 943 OD1 ASP A 946 -19.850 6.866 18.729 1.00 0.00 O ATOM 944 OD2 ASP A 946 -19.560 7.380 16.613 1.00 0.00 O ATOM 0 H ASP A 946 -18.905 11.807 18.760 1.00 0.00 H new ATOM 0 HA ASP A 946 -18.842 9.137 19.931 1.00 0.00 H new ATOM 0 HB2 ASP A 946 -20.984 9.267 18.636 1.00 0.00 H new ATOM 0 HB3 ASP A 946 -20.084 9.736 17.208 1.00 0.00 H new ATOM 949 N TYR A 947 -17.553 10.131 17.051 1.00 0.00 N ATOM 950 CA TYR A 947 -16.411 9.921 16.166 1.00 0.00 C ATOM 951 C TYR A 947 -15.148 10.569 16.715 1.00 0.00 C ATOM 952 O TYR A 947 -14.047 10.043 16.545 1.00 0.00 O ATOM 953 CB TYR A 947 -16.718 10.482 14.775 1.00 0.00 C ATOM 954 CG TYR A 947 -17.920 9.840 14.119 1.00 0.00 C ATOM 955 CD1 TYR A 947 -17.781 8.691 13.357 1.00 0.00 C ATOM 956 CD2 TYR A 947 -19.194 10.374 14.274 1.00 0.00 C ATOM 957 CE1 TYR A 947 -18.875 8.087 12.770 1.00 0.00 C ATOM 958 CE2 TYR A 947 -20.294 9.778 13.686 1.00 0.00 C ATOM 959 CZ TYR A 947 -20.129 8.633 12.937 1.00 0.00 C ATOM 960 OH TYR A 947 -21.221 8.025 12.359 1.00 0.00 O ATOM 0 H TYR A 947 -18.304 10.689 16.644 1.00 0.00 H new ATOM 0 HA TYR A 947 -16.236 8.847 16.099 1.00 0.00 H new ATOM 0 HB2 TYR A 947 -16.887 11.556 14.854 1.00 0.00 H new ATOM 0 HB3 TYR A 947 -15.847 10.343 14.135 1.00 0.00 H new ATOM 0 HD1 TYR A 947 -16.800 8.261 13.220 1.00 0.00 H new ATOM 0 HD2 TYR A 947 -19.327 11.269 14.863 1.00 0.00 H new ATOM 0 HE1 TYR A 947 -18.748 7.190 12.182 1.00 0.00 H new ATOM 0 HE2 TYR A 947 -21.277 10.207 13.813 1.00 0.00 H new ATOM 0 HH TYR A 947 -22.030 8.534 12.573 1.00 0.00 H new ATOM 970 N ILE A 948 -15.307 11.687 17.410 1.00 0.00 N ATOM 971 CA ILE A 948 -14.164 12.365 18.004 1.00 0.00 C ATOM 972 C ILE A 948 -13.602 11.516 19.134 1.00 0.00 C ATOM 973 O ILE A 948 -12.394 11.326 19.247 1.00 0.00 O ATOM 974 CB ILE A 948 -14.535 13.763 18.545 1.00 0.00 C ATOM 975 CG1 ILE A 948 -15.291 14.569 17.483 1.00 0.00 C ATOM 976 CG2 ILE A 948 -13.280 14.510 18.979 1.00 0.00 C ATOM 977 CD1 ILE A 948 -14.496 14.808 16.214 1.00 0.00 C ATOM 0 H ILE A 948 -16.206 12.139 17.575 1.00 0.00 H new ATOM 0 HA ILE A 948 -13.416 12.500 17.223 1.00 0.00 H new ATOM 0 HB ILE A 948 -15.186 13.637 19.410 1.00 0.00 H new ATOM 0 HG12 ILE A 948 -16.212 14.044 17.230 1.00 0.00 H new ATOM 0 HG13 ILE A 948 -15.578 15.531 17.907 1.00 0.00 H new ATOM 0 HG21 ILE A 948 -13.555 15.494 19.358 1.00 0.00 H new ATOM 0 HG22 ILE A 948 -12.774 13.947 19.764 1.00 0.00 H new ATOM 0 HG23 ILE A 948 -12.611 14.624 18.126 1.00 0.00 H new ATOM 0 HD11 ILE A 948 -15.097 15.385 15.511 1.00 0.00 H new ATOM 0 HD12 ILE A 948 -13.587 15.361 16.453 1.00 0.00 H new ATOM 0 HD13 ILE A 948 -14.231 13.851 15.765 1.00 0.00 H new ATOM 989 N LYS A 949 -14.508 10.969 19.937 1.00 0.00 N ATOM 990 CA LYS A 949 -14.142 10.083 21.031 1.00 0.00 C ATOM 991 C LYS A 949 -13.494 8.818 20.477 1.00 0.00 C ATOM 992 O LYS A 949 -12.525 8.311 21.036 1.00 0.00 O ATOM 993 CB LYS A 949 -15.391 9.755 21.864 1.00 0.00 C ATOM 994 CG LYS A 949 -15.133 8.974 23.150 1.00 0.00 C ATOM 995 CD LYS A 949 -15.035 7.475 22.904 1.00 0.00 C ATOM 996 CE LYS A 949 -15.036 6.684 24.205 1.00 0.00 C ATOM 997 NZ LYS A 949 -13.828 6.944 25.037 1.00 0.00 N ATOM 0 H LYS A 949 -15.512 11.127 19.847 1.00 0.00 H new ATOM 0 HA LYS A 949 -13.417 10.574 21.680 1.00 0.00 H new ATOM 0 HB2 LYS A 949 -15.892 10.689 22.120 1.00 0.00 H new ATOM 0 HB3 LYS A 949 -16.081 9.183 21.244 1.00 0.00 H new ATOM 0 HG2 LYS A 949 -14.209 9.326 23.607 1.00 0.00 H new ATOM 0 HG3 LYS A 949 -15.936 9.172 23.860 1.00 0.00 H new ATOM 0 HD2 LYS A 949 -15.871 7.154 22.283 1.00 0.00 H new ATOM 0 HD3 LYS A 949 -14.123 7.257 22.348 1.00 0.00 H new ATOM 0 HE2 LYS A 949 -15.928 6.936 24.778 1.00 0.00 H new ATOM 0 HE3 LYS A 949 -15.094 5.619 23.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 949 -13.880 6.381 25.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 949 -12.975 6.678 24.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 949 -13.784 7.954 25.279 1.00 0.00 H new ATOM 1011 N GLN A 950 -14.035 8.320 19.369 1.00 0.00 N ATOM 1012 CA GLN A 950 -13.491 7.134 18.715 1.00 0.00 C ATOM 1013 C GLN A 950 -12.049 7.361 18.275 1.00 0.00 C ATOM 1014 O GLN A 950 -11.196 6.490 18.449 1.00 0.00 O ATOM 1015 CB GLN A 950 -14.339 6.738 17.506 1.00 0.00 C ATOM 1016 CG GLN A 950 -15.712 6.193 17.863 1.00 0.00 C ATOM 1017 CD GLN A 950 -15.642 4.999 18.792 1.00 0.00 C ATOM 1018 OE1 GLN A 950 -15.513 3.856 18.348 1.00 0.00 O ATOM 1019 NE2 GLN A 950 -15.758 5.250 20.082 1.00 0.00 N ATOM 0 H GLN A 950 -14.851 8.720 18.905 1.00 0.00 H new ATOM 0 HA GLN A 950 -13.512 6.323 19.443 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -14.462 7.608 16.861 1.00 0.00 H new ATOM 0 HB3 GLN A 950 -13.801 5.987 16.928 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -16.300 6.981 18.334 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -16.234 5.908 16.950 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -15.863 6.211 20.407 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -15.743 4.483 20.754 1.00 0.00 H new ATOM 1028 N LYS A 951 -11.776 8.523 17.695 1.00 0.00 N ATOM 1029 CA LYS A 951 -10.415 8.855 17.290 1.00 0.00 C ATOM 1030 C LYS A 951 -9.511 9.047 18.501 1.00 0.00 C ATOM 1031 O LYS A 951 -8.359 8.629 18.489 1.00 0.00 O ATOM 1032 CB LYS A 951 -10.384 10.074 16.364 1.00 0.00 C ATOM 1033 CG LYS A 951 -10.592 9.707 14.899 1.00 0.00 C ATOM 1034 CD LYS A 951 -11.972 9.119 14.654 1.00 0.00 C ATOM 1035 CE LYS A 951 -12.020 8.296 13.381 1.00 0.00 C ATOM 1036 NZ LYS A 951 -11.186 7.071 13.492 1.00 0.00 N ATOM 0 H LYS A 951 -12.469 9.244 17.496 1.00 0.00 H new ATOM 0 HA LYS A 951 -10.026 8.010 16.721 1.00 0.00 H new ATOM 0 HB2 LYS A 951 -11.158 10.778 16.671 1.00 0.00 H new ATOM 0 HB3 LYS A 951 -9.427 10.584 16.474 1.00 0.00 H new ATOM 0 HG2 LYS A 951 -10.460 10.594 14.280 1.00 0.00 H new ATOM 0 HG3 LYS A 951 -9.831 8.989 14.593 1.00 0.00 H new ATOM 0 HD2 LYS A 951 -12.256 8.494 15.501 1.00 0.00 H new ATOM 0 HD3 LYS A 951 -12.704 9.924 14.593 1.00 0.00 H new ATOM 0 HE2 LYS A 951 -13.051 8.017 13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 951 -11.672 8.900 12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 951 -11.512 6.365 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 951 -10.192 7.309 13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 951 -11.269 6.680 14.452 1.00 0.00 H new ATOM 1050 N LEU A 952 -10.033 9.659 19.550 1.00 0.00 N ATOM 1051 CA LEU A 952 -9.282 9.794 20.793 1.00 0.00 C ATOM 1052 C LEU A 952 -8.983 8.420 21.389 1.00 0.00 C ATOM 1053 O LEU A 952 -7.956 8.216 22.034 1.00 0.00 O ATOM 1054 CB LEU A 952 -10.048 10.653 21.802 1.00 0.00 C ATOM 1055 CG LEU A 952 -10.275 12.104 21.374 1.00 0.00 C ATOM 1056 CD1 LEU A 952 -11.047 12.859 22.442 1.00 0.00 C ATOM 1057 CD2 LEU A 952 -8.948 12.791 21.086 1.00 0.00 C ATOM 0 H LEU A 952 -10.967 10.069 19.570 1.00 0.00 H new ATOM 0 HA LEU A 952 -8.338 10.290 20.566 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -11.016 10.190 21.990 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -9.504 10.649 22.747 1.00 0.00 H new ATOM 0 HG LEU A 952 -10.866 12.104 20.458 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -11.199 13.889 22.121 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -12.014 12.381 22.598 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -10.482 12.849 23.374 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -9.130 13.822 20.783 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -8.330 12.780 21.984 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -8.432 12.263 20.284 1.00 0.00 H new ATOM 1069 N GLN A 953 -9.892 7.480 21.162 1.00 0.00 N ATOM 1070 CA GLN A 953 -9.754 6.127 21.676 1.00 0.00 C ATOM 1071 C GLN A 953 -8.616 5.375 20.978 1.00 0.00 C ATOM 1072 O GLN A 953 -7.902 4.597 21.611 1.00 0.00 O ATOM 1073 CB GLN A 953 -11.074 5.373 21.475 1.00 0.00 C ATOM 1074 CG GLN A 953 -11.111 3.991 22.107 1.00 0.00 C ATOM 1075 CD GLN A 953 -11.077 4.042 23.619 1.00 0.00 C ATOM 1076 OE1 GLN A 953 -12.120 4.123 24.269 1.00 0.00 O ATOM 1077 NE2 GLN A 953 -9.884 3.998 24.188 1.00 0.00 N ATOM 0 H GLN A 953 -10.741 7.635 20.619 1.00 0.00 H new ATOM 0 HA GLN A 953 -9.513 6.186 22.738 1.00 0.00 H new ATOM 0 HB2 GLN A 953 -11.886 5.970 21.889 1.00 0.00 H new ATOM 0 HB3 GLN A 953 -11.263 5.275 20.406 1.00 0.00 H new ATOM 0 HG2 GLN A 953 -12.014 3.472 21.785 1.00 0.00 H new ATOM 0 HG3 GLN A 953 -10.263 3.408 21.748 1.00 0.00 H new ATOM 0 HE21 GLN A 953 -9.046 3.931 23.611 1.00 0.00 H new ATOM 0 HE22 GLN A 953 -9.802 4.031 25.204 1.00 0.00 H new ATOM 1086 N CYS A 954 -8.434 5.615 19.678 1.00 0.00 N ATOM 1087 CA CYS A 954 -7.387 4.926 18.923 1.00 0.00 C ATOM 1088 C CYS A 954 -5.993 5.443 19.292 1.00 0.00 C ATOM 1089 O CYS A 954 -4.983 4.835 18.932 1.00 0.00 O ATOM 1090 CB CYS A 954 -7.623 5.012 17.405 1.00 0.00 C ATOM 1091 SG CYS A 954 -7.497 6.668 16.690 1.00 0.00 S ATOM 0 H CYS A 954 -8.990 6.273 19.132 1.00 0.00 H new ATOM 0 HA CYS A 954 -7.437 3.874 19.203 1.00 0.00 H new ATOM 0 HB2 CYS A 954 -6.903 4.364 16.906 1.00 0.00 H new ATOM 0 HB3 CYS A 954 -8.614 4.615 17.186 1.00 0.00 H new ATOM 0 HG CYS A 954 -7.682 7.557 17.620 1.00 0.00 H new ATOM 1097 N LEU A 955 -5.944 6.561 20.022 1.00 0.00 N ATOM 1098 CA LEU A 955 -4.675 7.123 20.494 1.00 0.00 C ATOM 1099 C LEU A 955 -3.989 6.170 21.470 1.00 0.00 C ATOM 1100 O LEU A 955 -2.787 6.267 21.709 1.00 0.00 O ATOM 1101 CB LEU A 955 -4.895 8.487 21.165 1.00 0.00 C ATOM 1102 CG LEU A 955 -4.630 9.720 20.287 1.00 0.00 C ATOM 1103 CD1 LEU A 955 -3.189 9.735 19.810 1.00 0.00 C ATOM 1104 CD2 LEU A 955 -5.582 9.770 19.103 1.00 0.00 C ATOM 0 H LEU A 955 -6.768 7.095 20.299 1.00 0.00 H new ATOM 0 HA LEU A 955 -4.031 7.261 19.626 1.00 0.00 H new ATOM 0 HB2 LEU A 955 -5.924 8.533 21.520 1.00 0.00 H new ATOM 0 HB3 LEU A 955 -4.252 8.546 22.043 1.00 0.00 H new ATOM 0 HG LEU A 955 -4.806 10.607 20.896 1.00 0.00 H new ATOM 0 HD11 LEU A 955 -3.020 10.615 19.190 1.00 0.00 H new ATOM 0 HD12 LEU A 955 -2.521 9.764 20.671 1.00 0.00 H new ATOM 0 HD13 LEU A 955 -2.990 8.836 19.226 1.00 0.00 H new ATOM 0 HD21 LEU A 955 -5.369 10.654 18.502 1.00 0.00 H new ATOM 0 HD22 LEU A 955 -5.452 8.876 18.493 1.00 0.00 H new ATOM 0 HD23 LEU A 955 -6.609 9.816 19.464 1.00 0.00 H new