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 934 GLN : amide:sc= 0.722 K(o=1.4,f=-0.094) USER MOD Set 1.2: A 936 THR OG1 : rot -132:sc= 0.644 USER MOD Set 2.1: A 915 SER OG : rot -133:sc= 0.0024 USER MOD Set 2.2: A 928 TYR OH : rot 180:sc= 0.00318 USER MOD Set 3.1: A 890 SER OG : rot 179:sc= 1.03 USER MOD Set 3.2: A 900 THR OG1 : rot -76:sc= 1.19 USER MOD Single : A 889 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 894 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 895 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 901 GLN : amide:sc= -0.0926 K(o=-0.093,f=-1.6) USER MOD Single : A 903 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 904 SER OG : rot 180:sc= 0 USER MOD Single : A 910 GLN : amide:sc= -0.0813 K(o=-0.081,f=-6.2!) USER MOD Single : A 912 ASN : amide:sc= 0.00279 X(o=0.0028,f=0.38) USER MOD Single : A 916 GLN : amide:sc= 0.24 K(o=0.24,f=-2.3!) USER MOD Single : A 920 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 924 SER OG : rot -33:sc= 0.418 USER MOD Single : A 925 SER OG : rot 34:sc= 0.213 USER MOD Single : A 927 SER OG : rot 180:sc= 0 USER MOD Single : A 929 THR OG1 : rot 180:sc= 0 USER MOD Single : A 930 SER OG : rot -23:sc= 0.146 USER MOD Single : A 932 ASN : amide:sc= -0.0436 X(o=-0.044,f=-0.044) USER MOD Single : A 935 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= -0.379 X(o=-0.38,f=-0.17) USER MOD Single : A 943 LYS NZ :NH3+ -157:sc= -0.126 (180deg=-0.601) USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 LYS NZ :NH3+ -162:sc= -0.0497 (180deg=-0.375) USER MOD Single : A 950 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.79) USER MOD Single : A 951 LYS NZ :NH3+ -126:sc= 1.02 (180deg=-0.49) USER MOD Single : A 953 GLN : amide:sc= -0.039 K(o=-0.039,f=-0.81) USER MOD Single : A 954 CYS SG : rot 48:sc= 0.963 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 889 6.544 9.848 7.046 1.00 0.00 N ATOM 84 CA LYS A 889 6.732 10.285 8.424 1.00 0.00 C ATOM 85 C LYS A 889 5.407 10.301 9.177 1.00 0.00 C ATOM 86 O LYS A 889 5.382 10.382 10.403 1.00 0.00 O ATOM 87 CB LYS A 889 7.397 11.661 8.467 1.00 0.00 C ATOM 88 CG LYS A 889 6.613 12.755 7.766 1.00 0.00 C ATOM 89 CD LYS A 889 7.461 14.002 7.609 1.00 0.00 C ATOM 90 CE LYS A 889 6.717 15.108 6.889 1.00 0.00 C ATOM 91 NZ LYS A 889 7.625 16.219 6.510 1.00 0.00 N ATOM 0 HA LYS A 889 7.391 9.571 8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 889 7.546 11.947 9.508 1.00 0.00 H new ATOM 0 HB3 LYS A 889 8.385 11.589 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 889 6.286 12.405 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 889 5.715 12.989 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 889 7.772 14.355 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 889 8.368 13.756 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 889 6.241 14.705 5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 889 5.922 15.489 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 889 7.083 16.958 6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 889 8.060 16.619 7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 889 8.369 15.859 5.879 1.00 0.00 H new ATOM 105 N SER A 890 4.309 10.232 8.439 1.00 0.00 N ATOM 106 CA SER A 890 2.999 10.096 9.050 1.00 0.00 C ATOM 107 C SER A 890 2.659 8.618 9.183 1.00 0.00 C ATOM 108 O SER A 890 2.990 7.823 8.302 1.00 0.00 O ATOM 109 CB SER A 890 1.945 10.810 8.203 1.00 0.00 C ATOM 110 OG SER A 890 2.277 12.177 8.024 1.00 0.00 O ATOM 0 H SER A 890 4.301 10.268 7.420 1.00 0.00 H new ATOM 0 HA SER A 890 3.011 10.553 10.039 1.00 0.00 H new ATOM 0 HB2 SER A 890 1.862 10.322 7.232 1.00 0.00 H new ATOM 0 HB3 SER A 890 0.970 10.729 8.684 1.00 0.00 H new ATOM 0 HG SER A 890 1.597 12.608 7.465 1.00 0.00 H new ATOM 116 N VAL A 891 2.001 8.247 10.270 1.00 0.00 N ATOM 117 CA VAL A 891 1.679 6.846 10.526 1.00 0.00 C ATOM 118 C VAL A 891 0.181 6.681 10.762 1.00 0.00 C ATOM 119 O VAL A 891 -0.445 7.519 11.399 1.00 0.00 O ATOM 120 CB VAL A 891 2.454 6.299 11.750 1.00 0.00 C ATOM 121 CG1 VAL A 891 2.219 4.805 11.919 1.00 0.00 C ATOM 122 CG2 VAL A 891 3.944 6.593 11.627 1.00 0.00 C ATOM 0 H VAL A 891 1.678 8.893 10.990 1.00 0.00 H new ATOM 0 HA VAL A 891 1.977 6.276 9.646 1.00 0.00 H new ATOM 0 HB VAL A 891 2.077 6.807 12.637 1.00 0.00 H new ATOM 0 HG11 VAL A 891 2.774 4.445 12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 891 1.155 4.618 12.066 1.00 0.00 H new ATOM 0 HG13 VAL A 891 2.559 4.280 11.026 1.00 0.00 H new ATOM 0 HG21 VAL A 891 4.466 6.199 12.499 1.00 0.00 H new ATOM 0 HG22 VAL A 891 4.335 6.121 10.726 1.00 0.00 H new ATOM 0 HG23 VAL A 891 4.099 7.670 11.568 1.00 0.00 H new ATOM 132 N PHE A 892 -0.387 5.600 10.252 1.00 0.00 N ATOM 133 CA PHE A 892 -1.816 5.352 10.385 1.00 0.00 C ATOM 134 C PHE A 892 -2.122 4.579 11.666 1.00 0.00 C ATOM 135 O PHE A 892 -1.452 3.597 11.989 1.00 0.00 O ATOM 136 CB PHE A 892 -2.345 4.595 9.159 1.00 0.00 C ATOM 137 CG PHE A 892 -1.629 3.302 8.866 1.00 0.00 C ATOM 138 CD1 PHE A 892 -0.479 3.291 8.091 1.00 0.00 C ATOM 139 CD2 PHE A 892 -2.109 2.101 9.360 1.00 0.00 C ATOM 140 CE1 PHE A 892 0.179 2.108 7.816 1.00 0.00 C ATOM 141 CE2 PHE A 892 -1.455 0.914 9.088 1.00 0.00 C ATOM 142 CZ PHE A 892 -0.310 0.919 8.317 1.00 0.00 C ATOM 0 H PHE A 892 0.120 4.878 9.741 1.00 0.00 H new ATOM 0 HA PHE A 892 -2.323 6.315 10.445 1.00 0.00 H new ATOM 0 HB2 PHE A 892 -3.404 4.384 9.307 1.00 0.00 H new ATOM 0 HB3 PHE A 892 -2.269 5.244 8.286 1.00 0.00 H new ATOM 0 HD1 PHE A 892 -0.093 4.220 7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 892 -3.004 2.091 9.964 1.00 0.00 H new ATOM 0 HE1 PHE A 892 1.073 2.114 7.211 1.00 0.00 H new ATOM 0 HE2 PHE A 892 -1.840 -0.017 9.478 1.00 0.00 H new ATOM 0 HZ PHE A 892 0.203 -0.008 8.106 1.00 0.00 H new ATOM 152 N VAL A 893 -3.106 5.046 12.420 1.00 0.00 N ATOM 153 CA VAL A 893 -3.518 4.351 13.624 1.00 0.00 C ATOM 154 C VAL A 893 -4.841 3.624 13.380 1.00 0.00 C ATOM 155 O VAL A 893 -5.850 4.244 12.994 1.00 0.00 O ATOM 156 CB VAL A 893 -3.634 5.312 14.835 1.00 0.00 C ATOM 157 CG1 VAL A 893 -4.597 6.456 14.554 1.00 0.00 C ATOM 158 CG2 VAL A 893 -4.048 4.551 16.083 1.00 0.00 C ATOM 0 H VAL A 893 -3.629 5.898 12.219 1.00 0.00 H new ATOM 0 HA VAL A 893 -2.748 3.619 13.869 1.00 0.00 H new ATOM 0 HB VAL A 893 -2.650 5.749 15.006 1.00 0.00 H new ATOM 0 HG11 VAL A 893 -4.652 7.108 15.426 1.00 0.00 H new ATOM 0 HG12 VAL A 893 -4.243 7.027 13.696 1.00 0.00 H new ATOM 0 HG13 VAL A 893 -5.587 6.054 14.339 1.00 0.00 H new ATOM 0 HG21 VAL A 893 -4.124 5.242 16.922 1.00 0.00 H new ATOM 0 HG22 VAL A 893 -5.015 4.076 15.916 1.00 0.00 H new ATOM 0 HG23 VAL A 893 -3.303 3.788 16.308 1.00 0.00 H new ATOM 168 N LYS A 894 -4.798 2.295 13.572 1.00 0.00 N ATOM 169 CA LYS A 894 -5.946 1.386 13.378 1.00 0.00 C ATOM 170 C LYS A 894 -6.606 1.553 12.005 1.00 0.00 C ATOM 171 O LYS A 894 -7.693 1.030 11.765 1.00 0.00 O ATOM 172 CB LYS A 894 -6.989 1.579 14.486 1.00 0.00 C ATOM 173 CG LYS A 894 -6.444 1.332 15.885 1.00 0.00 C ATOM 174 CD LYS A 894 -7.553 1.028 16.884 1.00 0.00 C ATOM 175 CE LYS A 894 -8.561 2.161 16.988 1.00 0.00 C ATOM 176 NZ LYS A 894 -9.680 1.814 17.902 1.00 0.00 N ATOM 0 H LYS A 894 -3.951 1.812 13.871 1.00 0.00 H new ATOM 0 HA LYS A 894 -5.548 0.372 13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 894 -7.381 2.595 14.432 1.00 0.00 H new ATOM 0 HB3 LYS A 894 -7.826 0.904 14.307 1.00 0.00 H new ATOM 0 HG2 LYS A 894 -5.742 0.499 15.859 1.00 0.00 H new ATOM 0 HG3 LYS A 894 -5.887 2.208 16.217 1.00 0.00 H new ATOM 0 HD2 LYS A 894 -8.067 0.114 16.587 1.00 0.00 H new ATOM 0 HD3 LYS A 894 -7.115 0.843 17.865 1.00 0.00 H new ATOM 0 HE2 LYS A 894 -8.062 3.061 17.348 1.00 0.00 H new ATOM 0 HE3 LYS A 894 -8.956 2.390 15.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 894 -10.349 2.609 17.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 894 -10.171 0.970 17.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 894 -9.305 1.620 18.852 1.00 0.00 H new ATOM 190 N ASN A 895 -5.936 2.279 11.119 1.00 0.00 N ATOM 191 CA ASN A 895 -6.470 2.644 9.807 1.00 0.00 C ATOM 192 C ASN A 895 -7.754 3.455 9.953 1.00 0.00 C ATOM 193 O ASN A 895 -8.558 3.542 9.022 1.00 0.00 O ATOM 194 CB ASN A 895 -6.731 1.404 8.938 1.00 0.00 C ATOM 195 CG ASN A 895 -5.457 0.746 8.448 1.00 0.00 C ATOM 196 OD1 ASN A 895 -4.898 1.142 7.424 1.00 0.00 O ATOM 197 ND2 ASN A 895 -4.997 -0.276 9.154 1.00 0.00 N ATOM 0 H ASN A 895 -4.996 2.636 11.290 1.00 0.00 H new ATOM 0 HA ASN A 895 -5.717 3.255 9.310 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -7.310 0.680 9.512 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -7.339 1.690 8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -4.153 -0.764 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -5.487 -0.575 9.997 1.00 0.00 H new ATOM 204 N VAL A 896 -7.927 4.081 11.114 1.00 0.00 N ATOM 205 CA VAL A 896 -9.049 4.973 11.332 1.00 0.00 C ATOM 206 C VAL A 896 -8.557 6.411 11.301 1.00 0.00 C ATOM 207 O VAL A 896 -9.284 7.333 10.923 1.00 0.00 O ATOM 208 CB VAL A 896 -9.777 4.676 12.671 1.00 0.00 C ATOM 209 CG1 VAL A 896 -8.867 4.920 13.867 1.00 0.00 C ATOM 210 CG2 VAL A 896 -11.054 5.499 12.783 1.00 0.00 C ATOM 0 H VAL A 896 -7.302 3.984 11.914 1.00 0.00 H new ATOM 0 HA VAL A 896 -9.774 4.812 10.534 1.00 0.00 H new ATOM 0 HB VAL A 896 -10.047 3.620 12.675 1.00 0.00 H new ATOM 0 HG11 VAL A 896 -9.409 4.702 14.787 1.00 0.00 H new ATOM 0 HG12 VAL A 896 -7.994 4.271 13.798 1.00 0.00 H new ATOM 0 HG13 VAL A 896 -8.546 5.962 13.873 1.00 0.00 H new ATOM 0 HG21 VAL A 896 -11.549 5.276 13.728 1.00 0.00 H new ATOM 0 HG22 VAL A 896 -10.808 6.560 12.744 1.00 0.00 H new ATOM 0 HG23 VAL A 896 -11.721 5.251 11.957 1.00 0.00 H new ATOM 220 N GLY A 897 -7.300 6.588 11.690 1.00 0.00 N ATOM 221 CA GLY A 897 -6.709 7.905 11.688 1.00 0.00 C ATOM 222 C GLY A 897 -5.281 7.887 11.197 1.00 0.00 C ATOM 223 O GLY A 897 -4.646 6.834 11.159 1.00 0.00 O ATOM 0 H GLY A 897 -6.682 5.840 12.006 1.00 0.00 H new ATOM 0 HA2 GLY A 897 -7.301 8.566 11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 897 -6.740 8.317 12.697 1.00 0.00 H new ATOM 227 N TRP A 898 -4.780 9.044 10.817 1.00 0.00 N ATOM 228 CA TRP A 898 -3.387 9.195 10.439 1.00 0.00 C ATOM 229 C TRP A 898 -2.747 10.187 11.399 1.00 0.00 C ATOM 230 O TRP A 898 -3.342 11.218 11.704 1.00 0.00 O ATOM 231 CB TRP A 898 -3.261 9.719 9.000 1.00 0.00 C ATOM 232 CG TRP A 898 -4.415 9.363 8.105 1.00 0.00 C ATOM 233 CD1 TRP A 898 -5.479 10.161 7.797 1.00 0.00 C ATOM 234 CD2 TRP A 898 -4.621 8.134 7.399 1.00 0.00 C ATOM 235 NE1 TRP A 898 -6.333 9.505 6.949 1.00 0.00 N ATOM 236 CE2 TRP A 898 -5.829 8.262 6.685 1.00 0.00 C ATOM 237 CE3 TRP A 898 -3.902 6.942 7.294 1.00 0.00 C ATOM 238 CZ2 TRP A 898 -6.335 7.241 5.888 1.00 0.00 C ATOM 239 CZ3 TRP A 898 -4.406 5.929 6.500 1.00 0.00 C ATOM 240 CH2 TRP A 898 -5.610 6.086 5.803 1.00 0.00 C ATOM 0 H TRP A 898 -5.324 9.905 10.761 1.00 0.00 H new ATOM 0 HA TRP A 898 -2.889 8.227 10.488 1.00 0.00 H new ATOM 0 HB2 TRP A 898 -3.161 10.804 9.029 1.00 0.00 H new ATOM 0 HB3 TRP A 898 -2.343 9.326 8.562 1.00 0.00 H new ATOM 0 HD1 TRP A 898 -5.627 11.164 8.168 1.00 0.00 H new ATOM 0 HE1 TRP A 898 -7.204 9.883 6.575 1.00 0.00 H new ATOM 0 HE3 TRP A 898 -2.969 6.814 7.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 898 -7.267 7.357 5.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 898 -3.861 5.000 6.416 1.00 0.00 H new ATOM 0 HH2 TRP A 898 -5.973 5.278 5.186 1.00 0.00 H new ATOM 251 N ALA A 899 -1.553 9.891 11.879 1.00 0.00 N ATOM 252 CA ALA A 899 -0.892 10.773 12.825 1.00 0.00 C ATOM 253 C ALA A 899 0.432 11.267 12.270 1.00 0.00 C ATOM 254 O ALA A 899 1.248 10.486 11.782 1.00 0.00 O ATOM 255 CB ALA A 899 -0.680 10.061 14.151 1.00 0.00 C ATOM 0 H ALA A 899 -1.024 9.054 11.633 1.00 0.00 H new ATOM 0 HA ALA A 899 -1.534 11.638 12.992 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -0.184 10.734 14.850 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.644 9.759 14.560 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -0.060 9.178 13.995 1.00 0.00 H new ATOM 261 N THR A 900 0.623 12.571 12.333 1.00 0.00 N ATOM 262 CA THR A 900 1.859 13.194 11.907 1.00 0.00 C ATOM 263 C THR A 900 2.532 13.890 13.084 1.00 0.00 C ATOM 264 O THR A 900 1.913 14.719 13.755 1.00 0.00 O ATOM 265 CB THR A 900 1.593 14.222 10.790 1.00 0.00 C ATOM 266 OG1 THR A 900 0.773 13.630 9.772 1.00 0.00 O ATOM 267 CG2 THR A 900 2.895 14.717 10.176 1.00 0.00 C ATOM 0 H THR A 900 -0.076 13.228 12.681 1.00 0.00 H new ATOM 0 HA THR A 900 2.516 12.414 11.523 1.00 0.00 H new ATOM 0 HB THR A 900 1.077 15.076 11.229 1.00 0.00 H new ATOM 0 HG1 THR A 900 1.317 13.027 9.224 1.00 0.00 H new ATOM 0 HG21 THR A 900 2.675 15.441 9.391 1.00 0.00 H new ATOM 0 HG22 THR A 900 3.504 15.191 10.946 1.00 0.00 H new ATOM 0 HG23 THR A 900 3.440 13.874 9.750 1.00 0.00 H new ATOM 275 N GLN A 901 3.784 13.549 13.340 1.00 0.00 N ATOM 276 CA GLN A 901 4.557 14.226 14.369 1.00 0.00 C ATOM 277 C GLN A 901 5.324 15.386 13.746 1.00 0.00 C ATOM 278 O GLN A 901 6.184 15.180 12.889 1.00 0.00 O ATOM 279 CB GLN A 901 5.530 13.253 15.045 1.00 0.00 C ATOM 280 CG GLN A 901 4.853 12.112 15.793 1.00 0.00 C ATOM 281 CD GLN A 901 4.019 12.587 16.972 1.00 0.00 C ATOM 282 OE1 GLN A 901 4.315 13.609 17.587 1.00 0.00 O ATOM 283 NE2 GLN A 901 2.986 11.832 17.312 1.00 0.00 N ATOM 0 H GLN A 901 4.287 12.809 12.851 1.00 0.00 H new ATOM 0 HA GLN A 901 3.875 14.607 15.129 1.00 0.00 H new ATOM 0 HB2 GLN A 901 6.192 12.834 14.287 1.00 0.00 H new ATOM 0 HB3 GLN A 901 6.156 13.809 15.743 1.00 0.00 H new ATOM 0 HG2 GLN A 901 4.215 11.560 15.103 1.00 0.00 H new ATOM 0 HG3 GLN A 901 5.613 11.417 16.149 1.00 0.00 H new ATOM 0 HE21 GLN A 901 2.771 10.990 16.777 1.00 0.00 H new ATOM 0 HE22 GLN A 901 2.405 12.092 18.109 1.00 0.00 H new ATOM 292 N LEU A 902 5.001 16.602 14.160 1.00 0.00 N ATOM 293 CA LEU A 902 5.631 17.785 13.592 1.00 0.00 C ATOM 294 C LEU A 902 6.865 18.184 14.386 1.00 0.00 C ATOM 295 O LEU A 902 6.954 17.931 15.591 1.00 0.00 O ATOM 296 CB LEU A 902 4.653 18.968 13.521 1.00 0.00 C ATOM 297 CG LEU A 902 3.591 18.894 12.414 1.00 0.00 C ATOM 298 CD1 LEU A 902 4.230 18.555 11.077 1.00 0.00 C ATOM 299 CD2 LEU A 902 2.507 17.887 12.762 1.00 0.00 C ATOM 0 H LEU A 902 4.309 16.796 14.884 1.00 0.00 H new ATOM 0 HA LEU A 902 5.933 17.528 12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 902 4.144 19.052 14.481 1.00 0.00 H new ATOM 0 HB3 LEU A 902 5.229 19.883 13.385 1.00 0.00 H new ATOM 0 HG LEU A 902 3.124 19.875 12.332 1.00 0.00 H new ATOM 0 HD11 LEU A 902 3.460 18.508 10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 902 4.957 19.324 10.816 1.00 0.00 H new ATOM 0 HD13 LEU A 902 4.732 17.590 11.148 1.00 0.00 H new ATOM 0 HD21 LEU A 902 1.769 17.856 11.961 1.00 0.00 H new ATOM 0 HD22 LEU A 902 2.953 16.900 12.883 1.00 0.00 H new ATOM 0 HD23 LEU A 902 2.021 18.182 13.692 1.00 0.00 H new ATOM 311 N THR A 903 7.800 18.830 13.705 1.00 0.00 N ATOM 312 CA THR A 903 9.055 19.251 14.308 1.00 0.00 C ATOM 313 C THR A 903 8.835 20.337 15.362 1.00 0.00 C ATOM 314 O THR A 903 9.676 20.556 16.232 1.00 0.00 O ATOM 315 CB THR A 903 10.016 19.767 13.221 1.00 0.00 C ATOM 316 OG1 THR A 903 9.325 20.687 12.363 1.00 0.00 O ATOM 317 CG2 THR A 903 10.570 18.615 12.396 1.00 0.00 C ATOM 0 H THR A 903 7.710 19.077 12.719 1.00 0.00 H new ATOM 0 HA THR A 903 9.494 18.384 14.802 1.00 0.00 H new ATOM 0 HB THR A 903 10.849 20.274 13.709 1.00 0.00 H new ATOM 0 HG1 THR A 903 9.939 21.015 11.673 1.00 0.00 H new ATOM 0 HG21 THR A 903 11.246 19.005 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 903 11.113 17.929 13.047 1.00 0.00 H new ATOM 0 HG23 THR A 903 9.749 18.084 11.914 1.00 0.00 H new ATOM 325 N SER A 904 7.691 21.005 15.283 1.00 0.00 N ATOM 326 CA SER A 904 7.353 22.065 16.224 1.00 0.00 C ATOM 327 C SER A 904 6.719 21.497 17.496 1.00 0.00 C ATOM 328 O SER A 904 6.305 22.244 18.382 1.00 0.00 O ATOM 329 CB SER A 904 6.400 23.055 15.559 1.00 0.00 C ATOM 330 OG SER A 904 6.921 23.505 14.318 1.00 0.00 O ATOM 0 H SER A 904 6.979 20.830 14.574 1.00 0.00 H new ATOM 0 HA SER A 904 8.272 22.578 16.509 1.00 0.00 H new ATOM 0 HB2 SER A 904 5.431 22.582 15.401 1.00 0.00 H new ATOM 0 HB3 SER A 904 6.235 23.907 16.219 1.00 0.00 H new ATOM 0 HG SER A 904 6.293 24.137 13.909 1.00 0.00 H new ATOM 336 N GLY A 905 6.646 20.174 17.578 1.00 0.00 N ATOM 337 CA GLY A 905 6.068 19.534 18.744 1.00 0.00 C ATOM 338 C GLY A 905 4.559 19.416 18.650 1.00 0.00 C ATOM 339 O GLY A 905 3.885 19.115 19.636 1.00 0.00 O ATOM 0 H GLY A 905 6.977 19.533 16.857 1.00 0.00 H new ATOM 0 HA2 GLY A 905 6.501 18.541 18.862 1.00 0.00 H new ATOM 0 HA3 GLY A 905 6.330 20.104 19.635 1.00 0.00 H new ATOM 343 N ALA A 906 4.030 19.686 17.468 1.00 0.00 N ATOM 344 CA ALA A 906 2.606 19.556 17.217 1.00 0.00 C ATOM 345 C ALA A 906 2.288 18.169 16.681 1.00 0.00 C ATOM 346 O ALA A 906 3.114 17.555 16.004 1.00 0.00 O ATOM 347 CB ALA A 906 2.140 20.628 16.241 1.00 0.00 C ATOM 0 H ALA A 906 4.571 19.999 16.662 1.00 0.00 H new ATOM 0 HA ALA A 906 2.072 19.692 18.158 1.00 0.00 H new ATOM 0 HB1 ALA A 906 1.070 20.518 16.063 1.00 0.00 H new ATOM 0 HB2 ALA A 906 2.338 21.614 16.662 1.00 0.00 H new ATOM 0 HB3 ALA A 906 2.678 20.521 15.299 1.00 0.00 H new ATOM 353 N VAL A 907 1.103 17.678 16.990 1.00 0.00 N ATOM 354 CA VAL A 907 0.642 16.409 16.457 1.00 0.00 C ATOM 355 C VAL A 907 -0.545 16.651 15.534 1.00 0.00 C ATOM 356 O VAL A 907 -1.547 17.241 15.940 1.00 0.00 O ATOM 357 CB VAL A 907 0.234 15.431 17.582 1.00 0.00 C ATOM 358 CG1 VAL A 907 -0.122 14.068 17.004 1.00 0.00 C ATOM 359 CG2 VAL A 907 1.345 15.304 18.616 1.00 0.00 C ATOM 0 H VAL A 907 0.439 18.141 17.610 1.00 0.00 H new ATOM 0 HA VAL A 907 1.464 15.956 15.903 1.00 0.00 H new ATOM 0 HB VAL A 907 -0.649 15.833 18.080 1.00 0.00 H new ATOM 0 HG11 VAL A 907 -0.407 13.393 17.812 1.00 0.00 H new ATOM 0 HG12 VAL A 907 -0.955 14.174 16.309 1.00 0.00 H new ATOM 0 HG13 VAL A 907 0.740 13.660 16.477 1.00 0.00 H new ATOM 0 HG21 VAL A 907 1.036 14.611 19.398 1.00 0.00 H new ATOM 0 HG22 VAL A 907 2.249 14.929 18.135 1.00 0.00 H new ATOM 0 HG23 VAL A 907 1.546 16.281 19.056 1.00 0.00 H new ATOM 369 N TRP A 908 -0.428 16.214 14.295 1.00 0.00 N ATOM 370 CA TRP A 908 -1.499 16.397 13.333 1.00 0.00 C ATOM 371 C TRP A 908 -2.159 15.059 13.051 1.00 0.00 C ATOM 372 O TRP A 908 -1.532 14.160 12.494 1.00 0.00 O ATOM 373 CB TRP A 908 -0.940 16.989 12.037 1.00 0.00 C ATOM 374 CG TRP A 908 -1.949 17.743 11.228 1.00 0.00 C ATOM 375 CD1 TRP A 908 -2.974 17.225 10.491 1.00 0.00 C ATOM 376 CD2 TRP A 908 -2.017 19.163 11.069 1.00 0.00 C ATOM 377 NE1 TRP A 908 -3.677 18.240 9.886 1.00 0.00 N ATOM 378 CE2 TRP A 908 -3.110 19.437 10.228 1.00 0.00 C ATOM 379 CE3 TRP A 908 -1.260 20.231 11.560 1.00 0.00 C ATOM 380 CZ2 TRP A 908 -3.464 20.732 9.867 1.00 0.00 C ATOM 381 CZ3 TRP A 908 -1.614 21.516 11.200 1.00 0.00 C ATOM 382 CH2 TRP A 908 -2.707 21.756 10.362 1.00 0.00 C ATOM 0 H TRP A 908 0.394 15.732 13.931 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.239 17.084 13.742 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.113 17.656 12.281 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.530 16.183 11.428 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -3.200 16.173 10.397 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -4.489 18.120 9.281 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.415 20.054 12.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 -4.307 20.922 9.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -1.037 22.350 11.572 1.00 0.00 H new ATOM 0 HH2 TRP A 908 -2.958 22.773 10.100 1.00 0.00 H new ATOM 393 N VAL A 909 -3.412 14.923 13.449 1.00 0.00 N ATOM 394 CA VAL A 909 -4.138 13.683 13.234 1.00 0.00 C ATOM 395 C VAL A 909 -5.312 13.902 12.295 1.00 0.00 C ATOM 396 O VAL A 909 -6.222 14.668 12.590 1.00 0.00 O ATOM 397 CB VAL A 909 -4.651 13.071 14.558 1.00 0.00 C ATOM 398 CG1 VAL A 909 -5.300 11.713 14.312 1.00 0.00 C ATOM 399 CG2 VAL A 909 -3.521 12.944 15.569 1.00 0.00 C ATOM 0 H VAL A 909 -3.946 15.653 13.921 1.00 0.00 H new ATOM 0 HA VAL A 909 -3.434 12.983 12.785 1.00 0.00 H new ATOM 0 HB VAL A 909 -5.405 13.743 14.968 1.00 0.00 H new ATOM 0 HG11 VAL A 909 -5.653 11.302 15.258 1.00 0.00 H new ATOM 0 HG12 VAL A 909 -6.142 11.830 13.630 1.00 0.00 H new ATOM 0 HG13 VAL A 909 -4.569 11.035 13.872 1.00 0.00 H new ATOM 0 HG21 VAL A 909 -3.906 12.511 16.492 1.00 0.00 H new ATOM 0 HG22 VAL A 909 -2.741 12.300 15.164 1.00 0.00 H new ATOM 0 HG23 VAL A 909 -3.106 13.930 15.776 1.00 0.00 H new ATOM 409 N GLN A 910 -5.276 13.236 11.164 1.00 0.00 N ATOM 410 CA GLN A 910 -6.381 13.266 10.226 1.00 0.00 C ATOM 411 C GLN A 910 -7.171 11.976 10.381 1.00 0.00 C ATOM 412 O GLN A 910 -6.604 10.947 10.729 1.00 0.00 O ATOM 413 CB GLN A 910 -5.883 13.413 8.779 1.00 0.00 C ATOM 414 CG GLN A 910 -4.892 14.554 8.564 1.00 0.00 C ATOM 415 CD GLN A 910 -3.440 14.115 8.695 1.00 0.00 C ATOM 416 OE1 GLN A 910 -3.115 13.177 9.423 1.00 0.00 O ATOM 417 NE2 GLN A 910 -2.553 14.786 7.980 1.00 0.00 N ATOM 0 H GLN A 910 -4.487 12.661 10.867 1.00 0.00 H new ATOM 0 HA GLN A 910 -7.013 14.128 10.440 1.00 0.00 H new ATOM 0 HB2 GLN A 910 -5.413 12.478 8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 910 -6.742 13.567 8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 910 -5.048 14.982 7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 910 -5.093 15.344 9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 910 -2.856 15.558 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 910 -1.566 14.531 8.022 1.00 0.00 H new ATOM 426 N PHE A 911 -8.467 12.018 10.149 1.00 0.00 N ATOM 427 CA PHE A 911 -9.282 10.828 10.328 1.00 0.00 C ATOM 428 C PHE A 911 -9.944 10.395 9.035 1.00 0.00 C ATOM 429 O PHE A 911 -10.100 11.185 8.101 1.00 0.00 O ATOM 430 CB PHE A 911 -10.329 11.041 11.421 1.00 0.00 C ATOM 431 CG PHE A 911 -9.751 10.975 12.806 1.00 0.00 C ATOM 432 CD1 PHE A 911 -9.525 9.751 13.416 1.00 0.00 C ATOM 433 CD2 PHE A 911 -9.427 12.131 13.495 1.00 0.00 C ATOM 434 CE1 PHE A 911 -8.986 9.682 14.686 1.00 0.00 C ATOM 435 CE2 PHE A 911 -8.887 12.068 14.766 1.00 0.00 C ATOM 436 CZ PHE A 911 -8.667 10.842 15.362 1.00 0.00 C ATOM 0 H PHE A 911 -8.975 12.847 9.841 1.00 0.00 H new ATOM 0 HA PHE A 911 -8.613 10.026 10.639 1.00 0.00 H new ATOM 0 HB2 PHE A 911 -10.805 12.011 11.277 1.00 0.00 H new ATOM 0 HB3 PHE A 911 -11.109 10.286 11.322 1.00 0.00 H new ATOM 0 HD1 PHE A 911 -9.773 8.840 12.892 1.00 0.00 H new ATOM 0 HD2 PHE A 911 -9.598 13.093 13.035 1.00 0.00 H new ATOM 0 HE1 PHE A 911 -8.814 8.722 15.149 1.00 0.00 H new ATOM 0 HE2 PHE A 911 -8.637 12.977 15.293 1.00 0.00 H new ATOM 0 HZ PHE A 911 -8.246 10.791 16.355 1.00 0.00 H new ATOM 446 N ASN A 912 -10.343 9.130 9.006 1.00 0.00 N ATOM 447 CA ASN A 912 -10.959 8.518 7.832 1.00 0.00 C ATOM 448 C ASN A 912 -12.297 9.187 7.509 1.00 0.00 C ATOM 449 O ASN A 912 -12.825 9.055 6.405 1.00 0.00 O ATOM 450 CB ASN A 912 -11.163 7.022 8.086 1.00 0.00 C ATOM 451 CG ASN A 912 -11.086 6.184 6.823 1.00 0.00 C ATOM 452 OD1 ASN A 912 -11.427 6.636 5.730 1.00 0.00 O ATOM 453 ND2 ASN A 912 -10.622 4.951 6.968 1.00 0.00 N ATOM 0 H ASN A 912 -10.249 8.495 9.799 1.00 0.00 H new ATOM 0 HA ASN A 912 -10.298 8.654 6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -10.409 6.674 8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -12.134 6.869 8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -10.537 4.339 6.156 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.350 4.614 7.891 1.00 0.00 H new ATOM 460 N ASP A 913 -12.836 9.915 8.486 1.00 0.00 N ATOM 461 CA ASP A 913 -14.097 10.637 8.311 1.00 0.00 C ATOM 462 C ASP A 913 -13.880 11.910 7.497 1.00 0.00 C ATOM 463 O ASP A 913 -14.812 12.684 7.270 1.00 0.00 O ATOM 464 CB ASP A 913 -14.695 11.016 9.672 1.00 0.00 C ATOM 465 CG ASP A 913 -14.868 9.833 10.602 1.00 0.00 C ATOM 466 OD1 ASP A 913 -15.871 9.102 10.468 1.00 0.00 O ATOM 467 OD2 ASP A 913 -14.006 9.640 11.487 1.00 0.00 O ATOM 0 H ASP A 913 -12.418 10.021 9.410 1.00 0.00 H new ATOM 0 HA ASP A 913 -14.785 9.979 7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 913 -14.052 11.754 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 913 -15.664 11.491 9.516 1.00 0.00 H new ATOM 472 N GLY A 914 -12.642 12.130 7.070 1.00 0.00 N ATOM 473 CA GLY A 914 -12.325 13.289 6.260 1.00 0.00 C ATOM 474 C GLY A 914 -12.073 14.522 7.102 1.00 0.00 C ATOM 475 O GLY A 914 -11.884 15.618 6.574 1.00 0.00 O ATOM 0 H GLY A 914 -11.849 11.522 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 914 -11.443 13.078 5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 914 -13.146 13.484 5.570 1.00 0.00 H new ATOM 479 N SER A 915 -12.065 14.336 8.411 1.00 0.00 N ATOM 480 CA SER A 915 -11.872 15.432 9.348 1.00 0.00 C ATOM 481 C SER A 915 -10.416 15.499 9.784 1.00 0.00 C ATOM 482 O SER A 915 -9.700 14.497 9.716 1.00 0.00 O ATOM 483 CB SER A 915 -12.769 15.223 10.564 1.00 0.00 C ATOM 484 OG SER A 915 -14.083 14.876 10.165 1.00 0.00 O ATOM 0 H SER A 915 -12.191 13.426 8.854 1.00 0.00 H new ATOM 0 HA SER A 915 -12.134 16.371 8.860 1.00 0.00 H new ATOM 0 HB2 SER A 915 -12.356 14.436 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 915 -12.794 16.133 11.164 1.00 0.00 H new ATOM 0 HG SER A 915 -14.730 15.415 10.666 1.00 0.00 H new ATOM 490 N GLN A 916 -9.971 16.665 10.235 1.00 0.00 N ATOM 491 CA GLN A 916 -8.603 16.792 10.718 1.00 0.00 C ATOM 492 C GLN A 916 -8.583 17.304 12.150 1.00 0.00 C ATOM 493 O GLN A 916 -9.496 18.006 12.575 1.00 0.00 O ATOM 494 CB GLN A 916 -7.801 17.734 9.819 1.00 0.00 C ATOM 495 CG GLN A 916 -7.651 17.232 8.393 1.00 0.00 C ATOM 496 CD GLN A 916 -6.862 18.184 7.517 1.00 0.00 C ATOM 497 OE1 GLN A 916 -5.984 18.907 7.993 1.00 0.00 O ATOM 498 NE2 GLN A 916 -7.171 18.189 6.230 1.00 0.00 N ATOM 0 H GLN A 916 -10.525 17.520 10.276 1.00 0.00 H new ATOM 0 HA GLN A 916 -8.144 15.804 10.693 1.00 0.00 H new ATOM 0 HB2 GLN A 916 -8.288 18.709 9.803 1.00 0.00 H new ATOM 0 HB3 GLN A 916 -6.811 17.879 10.250 1.00 0.00 H new ATOM 0 HG2 GLN A 916 -7.156 16.261 8.404 1.00 0.00 H new ATOM 0 HG3 GLN A 916 -8.640 17.081 7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 916 -7.905 17.574 5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 916 -6.675 18.808 5.589 1.00 0.00 H new ATOM 507 N LEU A 917 -7.541 16.948 12.884 1.00 0.00 N ATOM 508 CA LEU A 917 -7.358 17.399 14.256 1.00 0.00 C ATOM 509 C LEU A 917 -5.924 17.870 14.468 1.00 0.00 C ATOM 510 O LEU A 917 -4.976 17.222 14.022 1.00 0.00 O ATOM 511 CB LEU A 917 -7.660 16.271 15.259 1.00 0.00 C ATOM 512 CG LEU A 917 -9.133 16.052 15.643 1.00 0.00 C ATOM 513 CD1 LEU A 917 -9.948 15.521 14.473 1.00 0.00 C ATOM 514 CD2 LEU A 917 -9.224 15.090 16.817 1.00 0.00 C ATOM 0 H LEU A 917 -6.797 16.338 12.546 1.00 0.00 H new ATOM 0 HA LEU A 917 -8.052 18.222 14.426 1.00 0.00 H new ATOM 0 HB2 LEU A 917 -7.276 15.339 14.845 1.00 0.00 H new ATOM 0 HB3 LEU A 917 -7.098 16.470 16.172 1.00 0.00 H new ATOM 0 HG LEU A 917 -9.550 17.018 15.927 1.00 0.00 H new ATOM 0 HD11 LEU A 917 -10.983 15.380 14.785 1.00 0.00 H new ATOM 0 HD12 LEU A 917 -9.911 16.235 13.650 1.00 0.00 H new ATOM 0 HD13 LEU A 917 -9.535 14.567 14.145 1.00 0.00 H new ATOM 0 HD21 LEU A 917 -10.270 14.939 17.084 1.00 0.00 H new ATOM 0 HD22 LEU A 917 -8.779 14.134 16.540 1.00 0.00 H new ATOM 0 HD23 LEU A 917 -8.688 15.506 17.670 1.00 0.00 H new ATOM 526 N VAL A 918 -5.770 18.994 15.145 1.00 0.00 N ATOM 527 CA VAL A 918 -4.454 19.482 15.523 1.00 0.00 C ATOM 528 C VAL A 918 -4.304 19.412 17.038 1.00 0.00 C ATOM 529 O VAL A 918 -5.088 20.012 17.776 1.00 0.00 O ATOM 530 CB VAL A 918 -4.226 20.937 15.052 1.00 0.00 C ATOM 531 CG1 VAL A 918 -2.800 21.381 15.333 1.00 0.00 C ATOM 532 CG2 VAL A 918 -4.554 21.089 13.574 1.00 0.00 C ATOM 0 H VAL A 918 -6.542 19.588 15.446 1.00 0.00 H new ATOM 0 HA VAL A 918 -3.709 18.851 15.038 1.00 0.00 H new ATOM 0 HB VAL A 918 -4.900 21.581 15.617 1.00 0.00 H new ATOM 0 HG11 VAL A 918 -2.665 22.408 14.993 1.00 0.00 H new ATOM 0 HG12 VAL A 918 -2.606 21.325 16.404 1.00 0.00 H new ATOM 0 HG13 VAL A 918 -2.105 20.729 14.804 1.00 0.00 H new ATOM 0 HG21 VAL A 918 -4.385 22.122 13.268 1.00 0.00 H new ATOM 0 HG22 VAL A 918 -3.914 20.428 12.989 1.00 0.00 H new ATOM 0 HG23 VAL A 918 -5.598 20.826 13.404 1.00 0.00 H new ATOM 542 N VAL A 919 -3.310 18.675 17.495 1.00 0.00 N ATOM 543 CA VAL A 919 -3.077 18.503 18.918 1.00 0.00 C ATOM 544 C VAL A 919 -1.704 19.040 19.302 1.00 0.00 C ATOM 545 O VAL A 919 -0.736 18.851 18.569 1.00 0.00 O ATOM 546 CB VAL A 919 -3.169 17.012 19.320 1.00 0.00 C ATOM 547 CG1 VAL A 919 -3.079 16.852 20.829 1.00 0.00 C ATOM 548 CG2 VAL A 919 -4.455 16.387 18.793 1.00 0.00 C ATOM 0 H VAL A 919 -2.646 18.182 16.898 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.849 19.061 19.448 1.00 0.00 H new ATOM 0 HB VAL A 919 -2.325 16.490 18.870 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -3.146 15.795 21.087 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -2.128 17.252 21.181 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -3.898 17.394 21.302 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.497 15.339 19.088 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -5.313 16.916 19.208 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -4.476 16.459 17.706 1.00 0.00 H new ATOM 558 N GLN A 920 -1.614 19.726 20.428 1.00 0.00 N ATOM 559 CA GLN A 920 -0.315 20.096 20.957 1.00 0.00 C ATOM 560 C GLN A 920 0.135 19.015 21.931 1.00 0.00 C ATOM 561 O GLN A 920 -0.666 18.531 22.732 1.00 0.00 O ATOM 562 CB GLN A 920 -0.386 21.456 21.658 1.00 0.00 C ATOM 563 CG GLN A 920 0.961 21.964 22.154 1.00 0.00 C ATOM 564 CD GLN A 920 0.865 23.319 22.830 1.00 0.00 C ATOM 565 OE1 GLN A 920 -0.157 23.657 23.431 1.00 0.00 O ATOM 566 NE2 GLN A 920 1.925 24.106 22.733 1.00 0.00 N ATOM 0 H GLN A 920 -2.411 20.034 20.985 1.00 0.00 H new ATOM 0 HA GLN A 920 0.404 20.182 20.142 1.00 0.00 H new ATOM 0 HB2 GLN A 920 -0.808 22.188 20.969 1.00 0.00 H new ATOM 0 HB3 GLN A 920 -1.070 21.383 22.504 1.00 0.00 H new ATOM 0 HG2 GLN A 920 1.381 21.242 22.855 1.00 0.00 H new ATOM 0 HG3 GLN A 920 1.651 22.031 21.313 1.00 0.00 H new ATOM 0 HE21 GLN A 920 2.751 23.788 22.227 1.00 0.00 H new ATOM 0 HE22 GLN A 920 1.915 25.030 23.165 1.00 0.00 H new ATOM 575 N ALA A 921 1.402 18.634 21.860 1.00 0.00 N ATOM 576 CA ALA A 921 1.924 17.570 22.707 1.00 0.00 C ATOM 577 C ALA A 921 1.821 17.930 24.186 1.00 0.00 C ATOM 578 O ALA A 921 2.258 19.003 24.606 1.00 0.00 O ATOM 579 CB ALA A 921 3.363 17.262 22.335 1.00 0.00 C ATOM 0 H ALA A 921 2.087 19.045 21.226 1.00 0.00 H new ATOM 0 HA ALA A 921 1.316 16.681 22.541 1.00 0.00 H new ATOM 0 HB1 ALA A 921 3.742 16.465 22.975 1.00 0.00 H new ATOM 0 HB2 ALA A 921 3.409 16.944 21.294 1.00 0.00 H new ATOM 0 HB3 ALA A 921 3.973 18.156 22.469 1.00 0.00 H new ATOM 585 N GLY A 922 1.230 17.034 24.965 1.00 0.00 N ATOM 586 CA GLY A 922 1.183 17.214 26.402 1.00 0.00 C ATOM 587 C GLY A 922 -0.027 17.998 26.873 1.00 0.00 C ATOM 588 O GLY A 922 -0.218 18.176 28.076 1.00 0.00 O ATOM 0 H GLY A 922 0.781 16.183 24.626 1.00 0.00 H new ATOM 0 HA2 GLY A 922 1.182 16.236 26.883 1.00 0.00 H new ATOM 0 HA3 GLY A 922 2.088 17.728 26.726 1.00 0.00 H new ATOM 592 N VAL A 923 -0.843 18.479 25.941 1.00 0.00 N ATOM 593 CA VAL A 923 -2.010 19.278 26.300 1.00 0.00 C ATOM 594 C VAL A 923 -3.283 18.635 25.751 1.00 0.00 C ATOM 595 O VAL A 923 -3.265 18.023 24.683 1.00 0.00 O ATOM 596 CB VAL A 923 -1.889 20.728 25.775 1.00 0.00 C ATOM 597 CG1 VAL A 923 -2.936 21.624 26.417 1.00 0.00 C ATOM 598 CG2 VAL A 923 -0.493 21.282 26.017 1.00 0.00 C ATOM 0 H VAL A 923 -0.720 18.331 24.939 1.00 0.00 H new ATOM 0 HA VAL A 923 -2.062 19.314 27.388 1.00 0.00 H new ATOM 0 HB VAL A 923 -2.065 20.709 24.699 1.00 0.00 H new ATOM 0 HG11 VAL A 923 -2.832 22.639 26.033 1.00 0.00 H new ATOM 0 HG12 VAL A 923 -3.931 21.247 26.181 1.00 0.00 H new ATOM 0 HG13 VAL A 923 -2.797 21.629 27.498 1.00 0.00 H new ATOM 0 HG21 VAL A 923 -0.436 22.302 25.638 1.00 0.00 H new ATOM 0 HG22 VAL A 923 -0.281 21.279 27.086 1.00 0.00 H new ATOM 0 HG23 VAL A 923 0.239 20.662 25.500 1.00 0.00 H new ATOM 608 N SER A 924 -4.384 18.767 26.486 1.00 0.00 N ATOM 609 CA SER A 924 -5.640 18.137 26.097 1.00 0.00 C ATOM 610 C SER A 924 -6.433 19.018 25.130 1.00 0.00 C ATOM 611 O SER A 924 -7.465 18.598 24.607 1.00 0.00 O ATOM 612 CB SER A 924 -6.482 17.817 27.339 1.00 0.00 C ATOM 613 OG SER A 924 -7.649 17.086 26.999 1.00 0.00 O ATOM 0 H SER A 924 -4.431 19.304 27.352 1.00 0.00 H new ATOM 0 HA SER A 924 -5.401 17.207 25.581 1.00 0.00 H new ATOM 0 HB2 SER A 924 -5.885 17.243 28.047 1.00 0.00 H new ATOM 0 HB3 SER A 924 -6.764 18.744 27.838 1.00 0.00 H new ATOM 0 HG SER A 924 -7.964 17.366 26.114 1.00 0.00 H new ATOM 619 N SER A 925 -5.957 20.237 24.901 1.00 0.00 N ATOM 620 CA SER A 925 -6.616 21.146 23.974 1.00 0.00 C ATOM 621 C SER A 925 -6.360 20.711 22.535 1.00 0.00 C ATOM 622 O SER A 925 -5.209 20.620 22.098 1.00 0.00 O ATOM 623 CB SER A 925 -6.126 22.580 24.198 1.00 0.00 C ATOM 624 OG SER A 925 -4.714 22.660 24.086 1.00 0.00 O ATOM 0 H SER A 925 -5.120 20.616 25.344 1.00 0.00 H new ATOM 0 HA SER A 925 -7.690 21.116 24.158 1.00 0.00 H new ATOM 0 HB2 SER A 925 -6.590 23.244 23.469 1.00 0.00 H new ATOM 0 HB3 SER A 925 -6.436 22.924 25.185 1.00 0.00 H new ATOM 0 HG SER A 925 -4.403 22.026 23.407 1.00 0.00 H new ATOM 630 N ILE A 926 -7.431 20.438 21.804 1.00 0.00 N ATOM 631 CA ILE A 926 -7.314 19.953 20.439 1.00 0.00 C ATOM 632 C ILE A 926 -8.084 20.848 19.479 1.00 0.00 C ATOM 633 O ILE A 926 -9.114 21.418 19.833 1.00 0.00 O ATOM 634 CB ILE A 926 -7.805 18.487 20.277 1.00 0.00 C ATOM 635 CG1 ILE A 926 -9.320 18.350 20.533 1.00 0.00 C ATOM 636 CG2 ILE A 926 -7.026 17.558 21.199 1.00 0.00 C ATOM 637 CD1 ILE A 926 -9.739 18.512 21.983 1.00 0.00 C ATOM 0 H ILE A 926 -8.390 20.544 22.134 1.00 0.00 H new ATOM 0 HA ILE A 926 -6.251 19.978 20.199 1.00 0.00 H new ATOM 0 HB ILE A 926 -7.622 18.198 19.242 1.00 0.00 H new ATOM 0 HG12 ILE A 926 -9.844 19.094 19.933 1.00 0.00 H new ATOM 0 HG13 ILE A 926 -9.646 17.371 20.183 1.00 0.00 H new ATOM 0 HG21 ILE A 926 -7.383 16.536 21.072 1.00 0.00 H new ATOM 0 HG22 ILE A 926 -5.966 17.605 20.952 1.00 0.00 H new ATOM 0 HG23 ILE A 926 -7.171 17.867 22.234 1.00 0.00 H new ATOM 0 HD11 ILE A 926 -10.820 18.400 22.064 1.00 0.00 H new ATOM 0 HD12 ILE A 926 -9.248 17.752 22.591 1.00 0.00 H new ATOM 0 HD13 ILE A 926 -9.450 19.501 22.337 1.00 0.00 H new ATOM 649 N SER A 927 -7.575 20.978 18.270 1.00 0.00 N ATOM 650 CA SER A 927 -8.223 21.785 17.255 1.00 0.00 C ATOM 651 C SER A 927 -8.842 20.886 16.193 1.00 0.00 C ATOM 652 O SER A 927 -8.141 20.150 15.507 1.00 0.00 O ATOM 653 CB SER A 927 -7.213 22.745 16.623 1.00 0.00 C ATOM 654 OG SER A 927 -6.594 23.550 17.613 1.00 0.00 O ATOM 0 H SER A 927 -6.710 20.532 17.965 1.00 0.00 H new ATOM 0 HA SER A 927 -9.015 22.373 17.719 1.00 0.00 H new ATOM 0 HB2 SER A 927 -6.455 22.178 16.083 1.00 0.00 H new ATOM 0 HB3 SER A 927 -7.716 23.380 15.894 1.00 0.00 H new ATOM 0 HG SER A 927 -5.951 24.155 17.188 1.00 0.00 H new ATOM 660 N TYR A 928 -10.153 20.950 16.066 1.00 0.00 N ATOM 661 CA TYR A 928 -10.871 20.131 15.107 1.00 0.00 C ATOM 662 C TYR A 928 -11.107 20.928 13.832 1.00 0.00 C ATOM 663 O TYR A 928 -11.590 22.059 13.872 1.00 0.00 O ATOM 664 CB TYR A 928 -12.199 19.670 15.723 1.00 0.00 C ATOM 665 CG TYR A 928 -13.125 18.949 14.770 1.00 0.00 C ATOM 666 CD1 TYR A 928 -12.804 17.696 14.261 1.00 0.00 C ATOM 667 CD2 TYR A 928 -14.328 19.524 14.386 1.00 0.00 C ATOM 668 CE1 TYR A 928 -13.656 17.040 13.393 1.00 0.00 C ATOM 669 CE2 TYR A 928 -15.185 18.874 13.520 1.00 0.00 C ATOM 670 CZ TYR A 928 -14.846 17.632 13.026 1.00 0.00 C ATOM 671 OH TYR A 928 -15.699 16.984 12.159 1.00 0.00 O ATOM 0 H TYR A 928 -10.748 21.566 16.620 1.00 0.00 H new ATOM 0 HA TYR A 928 -10.282 19.249 14.856 1.00 0.00 H new ATOM 0 HB2 TYR A 928 -11.983 19.012 16.565 1.00 0.00 H new ATOM 0 HB3 TYR A 928 -12.719 20.540 16.123 1.00 0.00 H new ATOM 0 HD1 TYR A 928 -11.874 17.228 14.548 1.00 0.00 H new ATOM 0 HD2 TYR A 928 -14.599 20.496 14.771 1.00 0.00 H new ATOM 0 HE1 TYR A 928 -13.391 16.068 13.004 1.00 0.00 H new ATOM 0 HE2 TYR A 928 -16.117 19.337 13.231 1.00 0.00 H new ATOM 0 HH TYR A 928 -16.493 17.538 12.005 1.00 0.00 H new ATOM 681 N THR A 929 -10.733 20.344 12.709 1.00 0.00 N ATOM 682 CA THR A 929 -10.867 21.005 11.427 1.00 0.00 C ATOM 683 C THR A 929 -11.900 20.308 10.547 1.00 0.00 C ATOM 684 O THR A 929 -11.778 19.108 10.247 1.00 0.00 O ATOM 685 CB THR A 929 -9.515 21.052 10.692 1.00 0.00 C ATOM 686 OG1 THR A 929 -8.514 21.606 11.559 1.00 0.00 O ATOM 687 CG2 THR A 929 -9.612 21.887 9.420 1.00 0.00 C ATOM 0 H THR A 929 -10.332 19.407 12.660 1.00 0.00 H new ATOM 0 HA THR A 929 -11.205 22.023 11.622 1.00 0.00 H new ATOM 0 HB THR A 929 -9.240 20.035 10.414 1.00 0.00 H new ATOM 0 HG1 THR A 929 -7.654 21.633 11.090 1.00 0.00 H new ATOM 0 HG21 THR A 929 -8.643 21.903 8.921 1.00 0.00 H new ATOM 0 HG22 THR A 929 -10.356 21.450 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 929 -9.906 22.905 9.675 1.00 0.00 H new ATOM 695 N SER A 930 -12.905 21.075 10.145 1.00 0.00 N ATOM 696 CA SER A 930 -13.909 20.621 9.204 1.00 0.00 C ATOM 697 C SER A 930 -13.621 21.220 7.828 1.00 0.00 C ATOM 698 O SER A 930 -13.524 22.445 7.688 1.00 0.00 O ATOM 699 CB SER A 930 -15.305 21.036 9.681 1.00 0.00 C ATOM 700 OG SER A 930 -15.546 20.584 11.001 1.00 0.00 O ATOM 0 H SER A 930 -13.043 22.033 10.467 1.00 0.00 H new ATOM 0 HA SER A 930 -13.876 19.534 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 930 -15.399 22.121 9.642 1.00 0.00 H new ATOM 0 HB3 SER A 930 -16.059 20.626 9.009 1.00 0.00 H new ATOM 0 HG SER A 930 -14.961 19.823 11.198 1.00 0.00 H new ATOM 706 N PRO A 931 -13.477 20.363 6.800 1.00 0.00 N ATOM 707 CA PRO A 931 -13.119 20.783 5.432 1.00 0.00 C ATOM 708 C PRO A 931 -14.133 21.738 4.805 1.00 0.00 C ATOM 709 O PRO A 931 -13.874 22.322 3.753 1.00 0.00 O ATOM 710 CB PRO A 931 -13.079 19.470 4.648 1.00 0.00 C ATOM 711 CG PRO A 931 -12.900 18.415 5.681 1.00 0.00 C ATOM 712 CD PRO A 931 -13.635 18.904 6.892 1.00 0.00 C ATOM 0 HA PRO A 931 -12.179 21.336 5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 931 -13.999 19.318 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 931 -12.259 19.463 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 931 -13.300 17.460 5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 931 -11.844 18.258 5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 931 -14.684 18.609 6.875 1.00 0.00 H new ATOM 0 HD3 PRO A 931 -13.207 18.508 7.813 1.00 0.00 H new ATOM 720 N ASN A 932 -15.288 21.889 5.447 1.00 0.00 N ATOM 721 CA ASN A 932 -16.289 22.857 5.004 1.00 0.00 C ATOM 722 C ASN A 932 -15.775 24.279 5.214 1.00 0.00 C ATOM 723 O ASN A 932 -16.299 25.238 4.647 1.00 0.00 O ATOM 724 CB ASN A 932 -17.615 22.641 5.752 1.00 0.00 C ATOM 725 CG ASN A 932 -18.703 23.611 5.321 1.00 0.00 C ATOM 726 OD1 ASN A 932 -19.345 23.419 4.287 1.00 0.00 O ATOM 727 ND2 ASN A 932 -18.954 24.627 6.133 1.00 0.00 N ATOM 0 H ASN A 932 -15.554 21.355 6.274 1.00 0.00 H new ATOM 0 HA ASN A 932 -16.472 22.709 3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 932 -17.958 21.620 5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 932 -17.444 22.748 6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 932 -19.702 25.285 5.911 1.00 0.00 H new ATOM 0 HD22 ASN A 932 -18.400 24.752 6.980 1.00 0.00 H new ATOM 734 N GLY A 933 -14.726 24.404 6.014 1.00 0.00 N ATOM 735 CA GLY A 933 -14.142 25.699 6.277 1.00 0.00 C ATOM 736 C GLY A 933 -14.367 26.138 7.704 1.00 0.00 C ATOM 737 O GLY A 933 -14.717 27.289 7.958 1.00 0.00 O ATOM 0 H GLY A 933 -14.268 23.625 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 933 -13.072 25.663 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 933 -14.572 26.436 5.598 1.00 0.00 H new ATOM 741 N GLN A 934 -14.165 25.219 8.635 1.00 0.00 N ATOM 742 CA GLN A 934 -14.396 25.501 10.042 1.00 0.00 C ATOM 743 C GLN A 934 -13.326 24.859 10.912 1.00 0.00 C ATOM 744 O GLN A 934 -13.244 23.635 11.001 1.00 0.00 O ATOM 745 CB GLN A 934 -15.771 24.981 10.465 1.00 0.00 C ATOM 746 CG GLN A 934 -16.052 25.140 11.953 1.00 0.00 C ATOM 747 CD GLN A 934 -17.274 24.362 12.400 1.00 0.00 C ATOM 748 OE1 GLN A 934 -18.214 24.161 11.631 1.00 0.00 O ATOM 749 NE2 GLN A 934 -17.269 23.913 13.647 1.00 0.00 N ATOM 0 H GLN A 934 -13.841 24.271 8.441 1.00 0.00 H new ATOM 0 HA GLN A 934 -14.355 26.582 10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 934 -16.539 25.509 9.900 1.00 0.00 H new ATOM 0 HB3 GLN A 934 -15.849 23.927 10.200 1.00 0.00 H new ATOM 0 HG2 GLN A 934 -15.184 24.805 12.521 1.00 0.00 H new ATOM 0 HG3 GLN A 934 -16.194 26.196 12.182 1.00 0.00 H new ATOM 0 HE21 GLN A 934 -16.471 24.101 14.253 1.00 0.00 H new ATOM 0 HE22 GLN A 934 -18.064 23.380 14.000 1.00 0.00 H new ATOM 758 N THR A 935 -12.489 25.675 11.530 1.00 0.00 N ATOM 759 CA THR A 935 -11.584 25.167 12.543 1.00 0.00 C ATOM 760 C THR A 935 -12.091 25.564 13.924 1.00 0.00 C ATOM 761 O THR A 935 -12.316 26.744 14.195 1.00 0.00 O ATOM 762 CB THR A 935 -10.159 25.715 12.337 1.00 0.00 C ATOM 763 OG1 THR A 935 -9.765 25.526 10.974 1.00 0.00 O ATOM 764 CG2 THR A 935 -9.163 25.018 13.250 1.00 0.00 C ATOM 0 H THR A 935 -12.418 26.677 11.351 1.00 0.00 H new ATOM 0 HA THR A 935 -11.548 24.081 12.460 1.00 0.00 H new ATOM 0 HB THR A 935 -10.165 26.777 12.582 1.00 0.00 H new ATOM 0 HG1 THR A 935 -8.859 25.876 10.844 1.00 0.00 H new ATOM 0 HG21 THR A 935 -8.167 25.427 13.081 1.00 0.00 H new ATOM 0 HG22 THR A 935 -9.449 25.177 14.290 1.00 0.00 H new ATOM 0 HG23 THR A 935 -9.158 23.949 13.035 1.00 0.00 H new ATOM 772 N THR A 936 -12.299 24.582 14.780 1.00 0.00 N ATOM 773 CA THR A 936 -12.713 24.835 16.146 1.00 0.00 C ATOM 774 C THR A 936 -11.701 24.237 17.117 1.00 0.00 C ATOM 775 O THR A 936 -11.363 23.064 17.002 1.00 0.00 O ATOM 776 CB THR A 936 -14.112 24.240 16.397 1.00 0.00 C ATOM 777 OG1 THR A 936 -15.016 24.697 15.377 1.00 0.00 O ATOM 778 CG2 THR A 936 -14.645 24.635 17.766 1.00 0.00 C ATOM 0 H THR A 936 -12.187 23.594 14.551 1.00 0.00 H new ATOM 0 HA THR A 936 -12.760 25.912 16.307 1.00 0.00 H new ATOM 0 HB THR A 936 -14.032 23.153 16.366 1.00 0.00 H new ATOM 0 HG1 THR A 936 -15.842 25.021 15.793 1.00 0.00 H new ATOM 0 HG21 THR A 936 -15.633 24.199 17.911 1.00 0.00 H new ATOM 0 HG22 THR A 936 -13.970 24.269 18.539 1.00 0.00 H new ATOM 0 HG23 THR A 936 -14.714 25.721 17.830 1.00 0.00 H new ATOM 786 N ARG A 937 -11.213 25.016 18.068 1.00 0.00 N ATOM 787 CA ARG A 937 -10.299 24.468 19.061 1.00 0.00 C ATOM 788 C ARG A 937 -11.018 24.275 20.391 1.00 0.00 C ATOM 789 O ARG A 937 -11.684 25.182 20.888 1.00 0.00 O ATOM 790 CB ARG A 937 -9.034 25.332 19.239 1.00 0.00 C ATOM 791 CG ARG A 937 -9.241 26.684 19.915 1.00 0.00 C ATOM 792 CD ARG A 937 -9.820 27.720 18.967 1.00 0.00 C ATOM 793 NE ARG A 937 -9.821 29.054 19.559 1.00 0.00 N ATOM 794 CZ ARG A 937 -10.593 30.057 19.148 1.00 0.00 C ATOM 795 NH1 ARG A 937 -11.404 29.908 18.109 1.00 0.00 N ATOM 796 NH2 ARG A 937 -10.533 31.225 19.767 1.00 0.00 N ATOM 0 H ARG A 937 -11.427 26.008 18.175 1.00 0.00 H new ATOM 0 HA ARG A 937 -9.965 23.498 18.694 1.00 0.00 H new ATOM 0 HB2 ARG A 937 -8.308 24.764 19.821 1.00 0.00 H new ATOM 0 HB3 ARG A 937 -8.592 25.502 18.257 1.00 0.00 H new ATOM 0 HG2 ARG A 937 -9.908 26.563 20.768 1.00 0.00 H new ATOM 0 HG3 ARG A 937 -8.288 27.043 20.304 1.00 0.00 H new ATOM 0 HD2 ARG A 937 -9.241 27.732 18.044 1.00 0.00 H new ATOM 0 HD3 ARG A 937 -10.839 27.440 18.700 1.00 0.00 H new ATOM 0 HE ARG A 937 -9.188 29.229 20.339 1.00 0.00 H new ATOM 0 HH11 ARG A 937 -11.441 29.017 17.615 1.00 0.00 H new ATOM 0 HH12 ARG A 937 -11.991 30.685 17.804 1.00 0.00 H new ATOM 0 HH21 ARG A 937 -9.897 31.353 20.555 1.00 0.00 H new ATOM 0 HH22 ARG A 937 -11.122 31.998 19.457 1.00 0.00 H new ATOM 810 N TYR A 938 -10.901 23.081 20.944 1.00 0.00 N ATOM 811 CA TYR A 938 -11.534 22.758 22.210 1.00 0.00 C ATOM 812 C TYR A 938 -10.480 22.654 23.299 1.00 0.00 C ATOM 813 O TYR A 938 -9.496 21.926 23.152 1.00 0.00 O ATOM 814 CB TYR A 938 -12.284 21.425 22.121 1.00 0.00 C ATOM 815 CG TYR A 938 -13.251 21.312 20.961 1.00 0.00 C ATOM 816 CD1 TYR A 938 -14.545 21.809 21.054 1.00 0.00 C ATOM 817 CD2 TYR A 938 -12.873 20.685 19.780 1.00 0.00 C ATOM 818 CE1 TYR A 938 -15.433 21.688 20.001 1.00 0.00 C ATOM 819 CE2 TYR A 938 -13.756 20.557 18.726 1.00 0.00 C ATOM 820 CZ TYR A 938 -15.034 21.058 18.840 1.00 0.00 C ATOM 821 OH TYR A 938 -15.915 20.919 17.792 1.00 0.00 O ATOM 0 H TYR A 938 -10.369 22.314 20.532 1.00 0.00 H new ATOM 0 HA TYR A 938 -12.243 23.551 22.446 1.00 0.00 H new ATOM 0 HB2 TYR A 938 -11.554 20.619 22.046 1.00 0.00 H new ATOM 0 HB3 TYR A 938 -12.834 21.272 23.049 1.00 0.00 H new ATOM 0 HD1 TYR A 938 -14.862 22.298 21.963 1.00 0.00 H new ATOM 0 HD2 TYR A 938 -11.872 20.291 19.685 1.00 0.00 H new ATOM 0 HE1 TYR A 938 -16.434 22.085 20.087 1.00 0.00 H new ATOM 0 HE2 TYR A 938 -13.446 20.066 17.816 1.00 0.00 H new ATOM 0 HH TYR A 938 -15.472 20.453 17.052 1.00 0.00 H new ATOM 831 N GLY A 939 -10.683 23.381 24.379 1.00 0.00 N ATOM 832 CA GLY A 939 -9.798 23.281 25.514 1.00 0.00 C ATOM 833 C GLY A 939 -10.311 22.295 26.542 1.00 0.00 C ATOM 834 O GLY A 939 -11.465 21.865 26.476 1.00 0.00 O ATOM 0 H GLY A 939 -11.450 24.044 24.492 1.00 0.00 H new ATOM 0 HA2 GLY A 939 -8.808 22.973 25.177 1.00 0.00 H new ATOM 0 HA3 GLY A 939 -9.686 24.262 25.975 1.00 0.00 H new ATOM 838 N GLU A 940 -9.460 21.937 27.494 1.00 0.00 N ATOM 839 CA GLU A 940 -9.832 20.994 28.545 1.00 0.00 C ATOM 840 C GLU A 940 -10.909 21.592 29.447 1.00 0.00 C ATOM 841 O GLU A 940 -11.735 20.875 30.019 1.00 0.00 O ATOM 842 CB GLU A 940 -8.598 20.638 29.373 1.00 0.00 C ATOM 843 CG GLU A 940 -8.855 19.602 30.452 1.00 0.00 C ATOM 844 CD GLU A 940 -7.692 19.477 31.410 1.00 0.00 C ATOM 845 OE1 GLU A 940 -6.637 18.950 31.002 1.00 0.00 O ATOM 846 OE2 GLU A 940 -7.822 19.925 32.571 1.00 0.00 O ATOM 0 H GLU A 940 -8.504 22.286 27.562 1.00 0.00 H new ATOM 0 HA GLU A 940 -10.232 20.092 28.082 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -7.820 20.267 28.706 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -8.212 21.545 29.839 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -9.753 19.872 31.007 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -9.046 18.635 29.987 1.00 0.00 H new ATOM 853 N ASN A 941 -10.916 22.917 29.534 1.00 0.00 N ATOM 854 CA ASN A 941 -11.857 23.628 30.391 1.00 0.00 C ATOM 855 C ASN A 941 -13.175 23.873 29.653 1.00 0.00 C ATOM 856 O ASN A 941 -14.107 24.465 30.193 1.00 0.00 O ATOM 857 CB ASN A 941 -11.234 24.957 30.852 1.00 0.00 C ATOM 858 CG ASN A 941 -12.066 25.681 31.897 1.00 0.00 C ATOM 859 OD1 ASN A 941 -11.958 25.404 33.092 1.00 0.00 O ATOM 860 ND2 ASN A 941 -12.873 26.634 31.458 1.00 0.00 N ATOM 0 H ASN A 941 -10.277 23.523 29.019 1.00 0.00 H new ATOM 0 HA ASN A 941 -12.072 23.018 31.268 1.00 0.00 H new ATOM 0 HB2 ASN A 941 -10.241 24.763 31.259 1.00 0.00 H new ATOM 0 HB3 ASN A 941 -11.103 25.608 29.988 1.00 0.00 H new ATOM 0 HD21 ASN A 941 -13.435 27.171 32.119 1.00 0.00 H new ATOM 0 HD22 ASN A 941 -12.933 26.832 30.459 1.00 0.00 H new ATOM 867 N GLU A 942 -13.260 23.386 28.425 1.00 0.00 N ATOM 868 CA GLU A 942 -14.452 23.579 27.613 1.00 0.00 C ATOM 869 C GLU A 942 -15.253 22.286 27.510 1.00 0.00 C ATOM 870 O GLU A 942 -14.927 21.291 28.162 1.00 0.00 O ATOM 871 CB GLU A 942 -14.069 24.088 26.225 1.00 0.00 C ATOM 872 CG GLU A 942 -13.328 25.410 26.262 1.00 0.00 C ATOM 873 CD GLU A 942 -13.127 25.994 24.886 1.00 0.00 C ATOM 874 OE1 GLU A 942 -12.115 25.666 24.238 1.00 0.00 O ATOM 875 OE2 GLU A 942 -13.986 26.784 24.444 1.00 0.00 O ATOM 0 H GLU A 942 -12.519 22.855 27.969 1.00 0.00 H new ATOM 0 HA GLU A 942 -15.081 24.327 28.096 1.00 0.00 H new ATOM 0 HB2 GLU A 942 -13.446 23.343 25.730 1.00 0.00 H new ATOM 0 HB3 GLU A 942 -14.971 24.200 25.624 1.00 0.00 H new ATOM 0 HG2 GLU A 942 -13.884 26.118 26.877 1.00 0.00 H new ATOM 0 HG3 GLU A 942 -12.358 25.267 26.738 1.00 0.00 H new ATOM 882 N LYS A 943 -16.291 22.302 26.689 1.00 0.00 N ATOM 883 CA LYS A 943 -17.188 21.168 26.573 1.00 0.00 C ATOM 884 C LYS A 943 -16.809 20.360 25.346 1.00 0.00 C ATOM 885 O LYS A 943 -16.842 20.862 24.222 1.00 0.00 O ATOM 886 CB LYS A 943 -18.631 21.667 26.458 1.00 0.00 C ATOM 887 CG LYS A 943 -19.691 20.584 26.595 1.00 0.00 C ATOM 888 CD LYS A 943 -19.704 19.995 27.995 1.00 0.00 C ATOM 889 CE LYS A 943 -20.972 19.199 28.249 1.00 0.00 C ATOM 890 NZ LYS A 943 -22.183 20.061 28.199 1.00 0.00 N ATOM 0 H LYS A 943 -16.532 23.093 26.091 1.00 0.00 H new ATOM 0 HA LYS A 943 -17.106 20.536 27.457 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -18.802 22.423 27.225 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -18.755 22.158 25.493 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -20.671 21.001 26.365 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -19.502 19.794 25.868 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -18.835 19.351 28.128 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -19.622 20.796 28.729 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -21.059 18.406 27.506 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -20.909 18.716 29.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -22.951 19.612 28.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -21.966 20.989 28.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -22.480 20.185 27.210 1.00 0.00 H new ATOM 904 N LEU A 944 -16.447 19.116 25.565 1.00 0.00 N ATOM 905 CA LEU A 944 -15.969 18.279 24.487 1.00 0.00 C ATOM 906 C LEU A 944 -17.056 17.321 24.014 1.00 0.00 C ATOM 907 O LEU A 944 -17.694 16.651 24.829 1.00 0.00 O ATOM 908 CB LEU A 944 -14.738 17.519 24.968 1.00 0.00 C ATOM 909 CG LEU A 944 -13.838 16.948 23.877 1.00 0.00 C ATOM 910 CD1 LEU A 944 -13.457 18.024 22.875 1.00 0.00 C ATOM 911 CD2 LEU A 944 -12.589 16.368 24.505 1.00 0.00 C ATOM 0 H LEU A 944 -16.474 18.662 26.478 1.00 0.00 H new ATOM 0 HA LEU A 944 -15.700 18.902 23.634 1.00 0.00 H new ATOM 0 HB2 LEU A 944 -14.143 18.187 25.590 1.00 0.00 H new ATOM 0 HB3 LEU A 944 -15.068 16.699 25.606 1.00 0.00 H new ATOM 0 HG LEU A 944 -14.382 16.164 23.350 1.00 0.00 H new ATOM 0 HD11 LEU A 944 -12.815 17.594 22.106 1.00 0.00 H new ATOM 0 HD12 LEU A 944 -14.358 18.426 22.412 1.00 0.00 H new ATOM 0 HD13 LEU A 944 -12.924 18.825 23.387 1.00 0.00 H new ATOM 0 HD21 LEU A 944 -11.946 15.960 23.725 1.00 0.00 H new ATOM 0 HD22 LEU A 944 -12.055 17.151 25.043 1.00 0.00 H new ATOM 0 HD23 LEU A 944 -12.866 15.575 25.199 1.00 0.00 H new ATOM 923 N PRO A 945 -17.274 17.235 22.694 1.00 0.00 N ATOM 924 CA PRO A 945 -18.200 16.265 22.105 1.00 0.00 C ATOM 925 C PRO A 945 -17.691 14.833 22.242 1.00 0.00 C ATOM 926 O PRO A 945 -16.480 14.595 22.317 1.00 0.00 O ATOM 927 CB PRO A 945 -18.269 16.667 20.626 1.00 0.00 C ATOM 928 CG PRO A 945 -17.682 18.037 20.562 1.00 0.00 C ATOM 929 CD PRO A 945 -16.679 18.104 21.673 1.00 0.00 C ATOM 0 HA PRO A 945 -19.170 16.280 22.602 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -17.709 15.970 20.003 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -19.297 16.663 20.265 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -17.208 18.215 19.596 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -18.452 18.798 20.684 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -15.699 17.746 21.357 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -16.544 19.123 22.036 1.00 0.00 H new ATOM 937 N ASP A 946 -18.621 13.886 22.259 1.00 0.00 N ATOM 938 CA ASP A 946 -18.294 12.475 22.440 1.00 0.00 C ATOM 939 C ASP A 946 -17.391 11.966 21.329 1.00 0.00 C ATOM 940 O ASP A 946 -16.389 11.302 21.593 1.00 0.00 O ATOM 941 CB ASP A 946 -19.566 11.626 22.484 1.00 0.00 C ATOM 942 CG ASP A 946 -20.355 11.808 23.763 1.00 0.00 C ATOM 943 OD1 ASP A 946 -21.072 12.825 23.889 1.00 0.00 O ATOM 944 OD2 ASP A 946 -20.274 10.930 24.642 1.00 0.00 O ATOM 0 H ASP A 946 -19.618 14.072 22.148 1.00 0.00 H new ATOM 0 HA ASP A 946 -17.765 12.387 23.389 1.00 0.00 H new ATOM 0 HB2 ASP A 946 -20.198 11.884 21.634 1.00 0.00 H new ATOM 0 HB3 ASP A 946 -19.299 10.575 22.375 1.00 0.00 H new ATOM 949 N TYR A 947 -17.739 12.292 20.086 1.00 0.00 N ATOM 950 CA TYR A 947 -16.998 11.790 18.932 1.00 0.00 C ATOM 951 C TYR A 947 -15.544 12.244 18.953 1.00 0.00 C ATOM 952 O TYR A 947 -14.657 11.521 18.499 1.00 0.00 O ATOM 953 CB TYR A 947 -17.647 12.255 17.628 1.00 0.00 C ATOM 954 CG TYR A 947 -18.968 11.591 17.322 1.00 0.00 C ATOM 955 CD1 TYR A 947 -19.017 10.393 16.622 1.00 0.00 C ATOM 956 CD2 TYR A 947 -20.164 12.167 17.720 1.00 0.00 C ATOM 957 CE1 TYR A 947 -20.223 9.790 16.326 1.00 0.00 C ATOM 958 CE2 TYR A 947 -21.373 11.569 17.433 1.00 0.00 C ATOM 959 CZ TYR A 947 -21.398 10.380 16.735 1.00 0.00 C ATOM 960 OH TYR A 947 -22.604 9.790 16.434 1.00 0.00 O ATOM 0 H TYR A 947 -18.525 12.898 19.853 1.00 0.00 H new ATOM 0 HA TYR A 947 -17.024 10.702 18.988 1.00 0.00 H new ATOM 0 HB2 TYR A 947 -17.798 13.334 17.675 1.00 0.00 H new ATOM 0 HB3 TYR A 947 -16.958 12.065 16.805 1.00 0.00 H new ATOM 0 HD1 TYR A 947 -18.097 9.925 16.304 1.00 0.00 H new ATOM 0 HD2 TYR A 947 -20.149 13.100 18.264 1.00 0.00 H new ATOM 0 HE1 TYR A 947 -20.245 8.860 15.777 1.00 0.00 H new ATOM 0 HE2 TYR A 947 -22.296 12.030 17.753 1.00 0.00 H new ATOM 0 HH TYR A 947 -23.334 10.334 16.796 1.00 0.00 H new ATOM 970 N ILE A 948 -15.293 13.431 19.494 1.00 0.00 N ATOM 971 CA ILE A 948 -13.934 13.945 19.569 1.00 0.00 C ATOM 972 C ILE A 948 -13.124 13.132 20.569 1.00 0.00 C ATOM 973 O ILE A 948 -11.991 12.738 20.296 1.00 0.00 O ATOM 974 CB ILE A 948 -13.905 15.436 19.973 1.00 0.00 C ATOM 975 CG1 ILE A 948 -14.759 16.271 19.012 1.00 0.00 C ATOM 976 CG2 ILE A 948 -12.473 15.957 20.000 1.00 0.00 C ATOM 977 CD1 ILE A 948 -14.302 16.208 17.569 1.00 0.00 C ATOM 0 H ILE A 948 -16.006 14.049 19.883 1.00 0.00 H new ATOM 0 HA ILE A 948 -13.495 13.856 18.575 1.00 0.00 H new ATOM 0 HB ILE A 948 -14.324 15.526 20.975 1.00 0.00 H new ATOM 0 HG12 ILE A 948 -15.793 15.930 19.070 1.00 0.00 H new ATOM 0 HG13 ILE A 948 -14.747 17.310 19.341 1.00 0.00 H new ATOM 0 HG21 ILE A 948 -12.474 17.009 20.287 1.00 0.00 H new ATOM 0 HG22 ILE A 948 -11.891 15.384 20.722 1.00 0.00 H new ATOM 0 HG23 ILE A 948 -12.029 15.851 19.010 1.00 0.00 H new ATOM 0 HD11 ILE A 948 -14.957 16.824 16.953 1.00 0.00 H new ATOM 0 HD12 ILE A 948 -13.279 16.578 17.495 1.00 0.00 H new ATOM 0 HD13 ILE A 948 -14.341 15.176 17.220 1.00 0.00 H new ATOM 989 N LYS A 949 -13.735 12.852 21.714 1.00 0.00 N ATOM 990 CA LYS A 949 -13.097 12.053 22.750 1.00 0.00 C ATOM 991 C LYS A 949 -12.857 10.630 22.256 1.00 0.00 C ATOM 992 O LYS A 949 -11.783 10.065 22.456 1.00 0.00 O ATOM 993 CB LYS A 949 -13.960 12.040 24.015 1.00 0.00 C ATOM 994 CG LYS A 949 -13.430 11.133 25.115 1.00 0.00 C ATOM 995 CD LYS A 949 -14.292 11.210 26.363 1.00 0.00 C ATOM 996 CE LYS A 949 -14.131 12.544 27.079 1.00 0.00 C ATOM 997 NZ LYS A 949 -12.739 12.748 27.566 1.00 0.00 N ATOM 0 H LYS A 949 -14.676 13.169 21.948 1.00 0.00 H new ATOM 0 HA LYS A 949 -12.133 12.501 22.989 1.00 0.00 H new ATOM 0 HB2 LYS A 949 -14.036 13.056 24.401 1.00 0.00 H new ATOM 0 HB3 LYS A 949 -14.969 11.723 23.751 1.00 0.00 H new ATOM 0 HG2 LYS A 949 -13.398 10.104 24.756 1.00 0.00 H new ATOM 0 HG3 LYS A 949 -12.407 11.417 25.360 1.00 0.00 H new ATOM 0 HD2 LYS A 949 -15.338 11.067 26.092 1.00 0.00 H new ATOM 0 HD3 LYS A 949 -14.024 10.399 27.040 1.00 0.00 H new ATOM 0 HE2 LYS A 949 -14.401 13.354 26.402 1.00 0.00 H new ATOM 0 HE3 LYS A 949 -14.821 12.589 27.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 949 -12.731 13.492 28.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 949 -12.381 11.861 27.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 949 -12.132 13.033 26.771 1.00 0.00 H new ATOM 1011 N GLN A 950 -13.865 10.067 21.600 1.00 0.00 N ATOM 1012 CA GLN A 950 -13.789 8.708 21.078 1.00 0.00 C ATOM 1013 C GLN A 950 -12.667 8.578 20.053 1.00 0.00 C ATOM 1014 O GLN A 950 -11.910 7.606 20.063 1.00 0.00 O ATOM 1015 CB GLN A 950 -15.127 8.305 20.458 1.00 0.00 C ATOM 1016 CG GLN A 950 -16.238 8.116 21.479 1.00 0.00 C ATOM 1017 CD GLN A 950 -17.613 8.072 20.843 1.00 0.00 C ATOM 1018 OE1 GLN A 950 -17.768 7.669 19.689 1.00 0.00 O ATOM 1019 NE2 GLN A 950 -18.625 8.479 21.598 1.00 0.00 N ATOM 0 H GLN A 950 -14.752 10.536 21.416 1.00 0.00 H new ATOM 0 HA GLN A 950 -13.568 8.036 21.907 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -15.430 9.068 19.741 1.00 0.00 H new ATOM 0 HB3 GLN A 950 -14.995 7.378 19.901 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -16.067 7.191 22.030 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -16.203 8.930 22.204 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -18.453 8.805 22.549 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -19.575 8.466 21.228 1.00 0.00 H new ATOM 1028 N LYS A 951 -12.563 9.560 19.166 1.00 0.00 N ATOM 1029 CA LYS A 951 -11.503 9.566 18.165 1.00 0.00 C ATOM 1030 C LYS A 951 -10.130 9.770 18.803 1.00 0.00 C ATOM 1031 O LYS A 951 -9.155 9.150 18.386 1.00 0.00 O ATOM 1032 CB LYS A 951 -11.781 10.610 17.077 1.00 0.00 C ATOM 1033 CG LYS A 951 -12.519 10.032 15.871 1.00 0.00 C ATOM 1034 CD LYS A 951 -13.813 9.337 16.277 1.00 0.00 C ATOM 1035 CE LYS A 951 -14.380 8.474 15.159 1.00 0.00 C ATOM 1036 NZ LYS A 951 -14.812 9.273 13.985 1.00 0.00 N ATOM 0 H LYS A 951 -13.196 10.359 19.119 1.00 0.00 H new ATOM 0 HA LYS A 951 -11.491 8.586 17.688 1.00 0.00 H new ATOM 0 HB2 LYS A 951 -12.371 11.422 17.502 1.00 0.00 H new ATOM 0 HB3 LYS A 951 -10.837 11.042 16.746 1.00 0.00 H new ATOM 0 HG2 LYS A 951 -12.742 10.831 15.165 1.00 0.00 H new ATOM 0 HG3 LYS A 951 -11.872 9.322 15.355 1.00 0.00 H new ATOM 0 HD2 LYS A 951 -13.630 8.717 17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 951 -14.551 10.086 16.564 1.00 0.00 H new ATOM 0 HE2 LYS A 951 -13.627 7.752 14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 951 -15.229 7.905 15.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 951 -15.801 9.046 13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 951 -14.731 10.286 14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 951 -14.207 9.047 13.170 1.00 0.00 H new ATOM 1050 N LEU A 952 -10.056 10.627 19.817 1.00 0.00 N ATOM 1051 CA LEU A 952 -8.811 10.824 20.558 1.00 0.00 C ATOM 1052 C LEU A 952 -8.407 9.541 21.278 1.00 0.00 C ATOM 1053 O LEU A 952 -7.224 9.211 21.367 1.00 0.00 O ATOM 1054 CB LEU A 952 -8.951 11.963 21.573 1.00 0.00 C ATOM 1055 CG LEU A 952 -9.080 13.363 20.973 1.00 0.00 C ATOM 1056 CD1 LEU A 952 -9.280 14.391 22.073 1.00 0.00 C ATOM 1057 CD2 LEU A 952 -7.849 13.703 20.146 1.00 0.00 C ATOM 0 H LEU A 952 -10.838 11.194 20.144 1.00 0.00 H new ATOM 0 HA LEU A 952 -8.035 11.090 19.840 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -9.827 11.769 22.192 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -8.084 11.947 22.233 1.00 0.00 H new ATOM 0 HG LEU A 952 -9.951 13.381 20.318 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -9.370 15.383 21.631 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -10.188 14.157 22.629 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -8.425 14.371 22.749 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -7.958 14.703 19.726 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -6.964 13.670 20.781 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -7.743 12.980 19.337 1.00 0.00 H new ATOM 1069 N GLN A 953 -9.403 8.813 21.771 1.00 0.00 N ATOM 1070 CA GLN A 953 -9.175 7.552 22.473 1.00 0.00 C ATOM 1071 C GLN A 953 -8.539 6.517 21.542 1.00 0.00 C ATOM 1072 O GLN A 953 -7.888 5.572 21.989 1.00 0.00 O ATOM 1073 CB GLN A 953 -10.504 7.016 23.026 1.00 0.00 C ATOM 1074 CG GLN A 953 -10.355 5.804 23.935 1.00 0.00 C ATOM 1075 CD GLN A 953 -9.656 6.132 25.240 1.00 0.00 C ATOM 1076 OE1 GLN A 953 -9.768 7.244 25.754 1.00 0.00 O ATOM 1077 NE2 GLN A 953 -8.931 5.167 25.785 1.00 0.00 N ATOM 0 H GLN A 953 -10.386 9.077 21.697 1.00 0.00 H new ATOM 0 HA GLN A 953 -8.488 7.736 23.299 1.00 0.00 H new ATOM 0 HB2 GLN A 953 -11.003 7.812 23.579 1.00 0.00 H new ATOM 0 HB3 GLN A 953 -11.153 6.753 22.191 1.00 0.00 H new ATOM 0 HG2 GLN A 953 -11.341 5.393 24.150 1.00 0.00 H new ATOM 0 HG3 GLN A 953 -9.794 5.030 23.412 1.00 0.00 H new ATOM 0 HE21 GLN A 953 -8.864 4.258 25.326 1.00 0.00 H new ATOM 0 HE22 GLN A 953 -8.440 5.332 26.663 1.00 0.00 H new ATOM 1086 N CYS A 954 -8.728 6.701 20.244 1.00 0.00 N ATOM 1087 CA CYS A 954 -8.175 5.783 19.259 1.00 0.00 C ATOM 1088 C CYS A 954 -6.653 5.903 19.187 1.00 0.00 C ATOM 1089 O CYS A 954 -5.965 4.956 18.806 1.00 0.00 O ATOM 1090 CB CYS A 954 -8.784 6.058 17.887 1.00 0.00 C ATOM 1091 SG CYS A 954 -10.585 5.918 17.842 1.00 0.00 S ATOM 0 H CYS A 954 -9.259 7.477 19.848 1.00 0.00 H new ATOM 0 HA CYS A 954 -8.423 4.767 19.567 1.00 0.00 H new ATOM 0 HB2 CYS A 954 -8.500 7.061 17.569 1.00 0.00 H new ATOM 0 HB3 CYS A 954 -8.357 5.362 17.165 1.00 0.00 H new ATOM 0 HG CYS A 954 -11.096 6.571 18.843 1.00 0.00 H new ATOM 1097 N LEU A 955 -6.132 7.067 19.562 1.00 0.00 N ATOM 1098 CA LEU A 955 -4.691 7.291 19.558 1.00 0.00 C ATOM 1099 C LEU A 955 -4.022 6.514 20.688 1.00 0.00 C ATOM 1100 O LEU A 955 -2.871 6.095 20.572 1.00 0.00 O ATOM 1101 CB LEU A 955 -4.360 8.786 19.689 1.00 0.00 C ATOM 1102 CG LEU A 955 -4.539 9.635 18.420 1.00 0.00 C ATOM 1103 CD1 LEU A 955 -3.767 9.033 17.256 1.00 0.00 C ATOM 1104 CD2 LEU A 955 -6.010 9.796 18.062 1.00 0.00 C ATOM 0 H LEU A 955 -6.684 7.867 19.871 1.00 0.00 H new ATOM 0 HA LEU A 955 -4.306 6.934 18.603 1.00 0.00 H new ATOM 0 HB2 LEU A 955 -4.987 9.208 20.475 1.00 0.00 H new ATOM 0 HB3 LEU A 955 -3.326 8.880 20.021 1.00 0.00 H new ATOM 0 HG LEU A 955 -4.136 10.627 18.626 1.00 0.00 H new ATOM 0 HD11 LEU A 955 -3.908 9.650 16.368 1.00 0.00 H new ATOM 0 HD12 LEU A 955 -2.707 8.992 17.505 1.00 0.00 H new ATOM 0 HD13 LEU A 955 -4.133 8.025 17.059 1.00 0.00 H new ATOM 0 HD21 LEU A 955 -6.101 10.401 17.160 1.00 0.00 H new ATOM 0 HD22 LEU A 955 -6.451 8.815 17.886 1.00 0.00 H new ATOM 0 HD23 LEU A 955 -6.533 10.287 18.883 1.00 0.00 H new