USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=20 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+ 179:sc= 0.00409 (180deg=0) USER MOD Set 1.2: A 953 GLN : amide:sc= 0.00284 X(o=0.0069,f=-0.35) USER MOD Set 2.1: A 915 SER OG : rot -93:sc= 0.893 USER MOD Set 2.2: A 928 TYR OH : rot 180:sc= 0 USER MOD Single : A 889 LYS NZ :NH3+ -170:sc= -0.0028 (180deg=-0.154) USER MOD Single : A 890 SER OG : rot 180:sc=0.000417 USER MOD Single : A 894 LYS NZ :NH3+ 150:sc= -1.47 (180deg=-3!) USER MOD Single : A 895 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 900 THR OG1 : rot 180:sc= -0.0673 USER MOD Single : A 901 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 903 THR OG1 : rot 180:sc= 0 USER MOD Single : A 904 SER OG : rot 180:sc= 0 USER MOD Single : A 910 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 912 ASN : amide:sc= 0.353 X(o=0.35,f=-0.025) USER MOD Single : A 916 GLN : amide:sc= -1.56 K(o=-1.6,f=-6!) USER MOD Single : A 920 GLN : amide:sc= -0.013 K(o=-0.013,f=-0.53) USER MOD Single : A 924 SER OG : rot 167:sc= 1.36 USER MOD Single : A 925 SER OG : rot 180:sc= 0 USER MOD Single : A 927 SER OG : rot 180:sc= 0 USER MOD Single : A 929 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 930 SER OG : rot 180:sc= 0 USER MOD Single : A 932 ASN : amide:sc= -0.0595 K(o=-0.06,f=-0.73) USER MOD Single : A 934 GLN : amide:sc= 0.299 K(o=0.3,f=-4.2!) USER MOD Single : A 935 THR OG1 : rot 180:sc= -0.372 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= -0.0539 K(o=-0.054,f=-1.8!) USER MOD Single : A 943 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 950 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.066) USER MOD Single : A 951 LYS NZ :NH3+ -172:sc= -0.372! (180deg=-0.674) USER MOD Single : A 954 CYS SG : rot 48:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 889 5.884 8.167 7.067 1.00 0.00 N ATOM 84 CA LYS A 889 5.825 9.355 7.906 1.00 0.00 C ATOM 85 C LYS A 889 4.475 9.401 8.605 1.00 0.00 C ATOM 86 O LYS A 889 4.349 9.890 9.729 1.00 0.00 O ATOM 87 CB LYS A 889 6.037 10.621 7.072 1.00 0.00 C ATOM 88 CG LYS A 889 6.111 11.896 7.902 1.00 0.00 C ATOM 89 CD LYS A 889 6.450 13.107 7.046 1.00 0.00 C ATOM 90 CE LYS A 889 7.801 12.950 6.361 1.00 0.00 C ATOM 91 NZ LYS A 889 8.910 12.763 7.337 1.00 0.00 N ATOM 0 HA LYS A 889 6.621 9.309 8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 889 6.958 10.517 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 889 5.223 10.713 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 889 5.157 12.060 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 889 6.864 11.779 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 889 5.674 13.250 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 889 6.459 14.002 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 889 7.766 12.095 5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 889 8.001 13.831 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 889 9.823 12.830 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 889 8.857 13.501 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 889 8.826 11.827 7.783 1.00 0.00 H new ATOM 105 N SER A 890 3.468 8.886 7.918 1.00 0.00 N ATOM 106 CA SER A 890 2.140 8.766 8.481 1.00 0.00 C ATOM 107 C SER A 890 1.828 7.305 8.795 1.00 0.00 C ATOM 108 O SER A 890 2.236 6.399 8.061 1.00 0.00 O ATOM 109 CB SER A 890 1.110 9.343 7.507 1.00 0.00 C ATOM 110 OG SER A 890 1.315 8.848 6.192 1.00 0.00 O ATOM 0 H SER A 890 3.551 8.543 6.961 1.00 0.00 H new ATOM 0 HA SER A 890 2.094 9.331 9.412 1.00 0.00 H new ATOM 0 HB2 SER A 890 0.105 9.087 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 890 1.178 10.431 7.504 1.00 0.00 H new ATOM 0 HG SER A 890 0.643 9.231 5.590 1.00 0.00 H new ATOM 116 N VAL A 891 1.114 7.085 9.884 1.00 0.00 N ATOM 117 CA VAL A 891 0.688 5.752 10.270 1.00 0.00 C ATOM 118 C VAL A 891 -0.832 5.696 10.330 1.00 0.00 C ATOM 119 O VAL A 891 -1.489 6.722 10.508 1.00 0.00 O ATOM 120 CB VAL A 891 1.280 5.327 11.634 1.00 0.00 C ATOM 121 CG1 VAL A 891 2.796 5.209 11.551 1.00 0.00 C ATOM 122 CG2 VAL A 891 0.879 6.306 12.730 1.00 0.00 C ATOM 0 H VAL A 891 0.814 7.821 10.523 1.00 0.00 H new ATOM 0 HA VAL A 891 1.058 5.056 9.517 1.00 0.00 H new ATOM 0 HB VAL A 891 0.873 4.348 11.887 1.00 0.00 H new ATOM 0 HG11 VAL A 891 3.191 4.909 12.522 1.00 0.00 H new ATOM 0 HG12 VAL A 891 3.062 4.461 10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 891 3.221 6.172 11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 891 1.308 5.985 13.679 1.00 0.00 H new ATOM 0 HG22 VAL A 891 1.249 7.301 12.483 1.00 0.00 H new ATOM 0 HG23 VAL A 891 -0.207 6.334 12.813 1.00 0.00 H new ATOM 132 N PHE A 892 -1.391 4.513 10.160 1.00 0.00 N ATOM 133 CA PHE A 892 -2.836 4.356 10.163 1.00 0.00 C ATOM 134 C PHE A 892 -3.301 3.684 11.447 1.00 0.00 C ATOM 135 O PHE A 892 -2.747 2.663 11.858 1.00 0.00 O ATOM 136 CB PHE A 892 -3.297 3.554 8.935 1.00 0.00 C ATOM 137 CG PHE A 892 -2.710 2.170 8.833 1.00 0.00 C ATOM 138 CD1 PHE A 892 -1.449 1.974 8.292 1.00 0.00 C ATOM 139 CD2 PHE A 892 -3.424 1.066 9.273 1.00 0.00 C ATOM 140 CE1 PHE A 892 -0.912 0.705 8.194 1.00 0.00 C ATOM 141 CE2 PHE A 892 -2.893 -0.205 9.177 1.00 0.00 C ATOM 142 CZ PHE A 892 -1.634 -0.386 8.637 1.00 0.00 C ATOM 0 H PHE A 892 -0.870 3.648 10.018 1.00 0.00 H new ATOM 0 HA PHE A 892 -3.287 5.347 10.113 1.00 0.00 H new ATOM 0 HB2 PHE A 892 -4.384 3.473 8.958 1.00 0.00 H new ATOM 0 HB3 PHE A 892 -3.038 4.112 8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 892 -0.880 2.823 7.943 1.00 0.00 H new ATOM 0 HD2 PHE A 892 -4.408 1.202 9.696 1.00 0.00 H new ATOM 0 HE1 PHE A 892 0.072 0.566 7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 892 -3.461 -1.056 9.523 1.00 0.00 H new ATOM 0 HZ PHE A 892 -1.215 -1.379 8.561 1.00 0.00 H new ATOM 152 N VAL A 893 -4.300 4.265 12.097 1.00 0.00 N ATOM 153 CA VAL A 893 -4.886 3.635 13.265 1.00 0.00 C ATOM 154 C VAL A 893 -6.321 3.209 12.977 1.00 0.00 C ATOM 155 O VAL A 893 -7.184 4.043 12.651 1.00 0.00 O ATOM 156 CB VAL A 893 -4.839 4.554 14.512 1.00 0.00 C ATOM 157 CG1 VAL A 893 -3.407 4.712 15.005 1.00 0.00 C ATOM 158 CG2 VAL A 893 -5.451 5.920 14.222 1.00 0.00 C ATOM 0 H VAL A 893 -4.715 5.160 11.838 1.00 0.00 H new ATOM 0 HA VAL A 893 -4.287 2.752 13.489 1.00 0.00 H new ATOM 0 HB VAL A 893 -5.432 4.080 15.294 1.00 0.00 H new ATOM 0 HG11 VAL A 893 -3.393 5.360 15.881 1.00 0.00 H new ATOM 0 HG12 VAL A 893 -3.004 3.735 15.270 1.00 0.00 H new ATOM 0 HG13 VAL A 893 -2.798 5.154 14.217 1.00 0.00 H new ATOM 0 HG21 VAL A 893 -5.401 6.539 15.118 1.00 0.00 H new ATOM 0 HG22 VAL A 893 -4.898 6.403 13.417 1.00 0.00 H new ATOM 0 HG23 VAL A 893 -6.492 5.796 13.924 1.00 0.00 H new ATOM 168 N LYS A 894 -6.545 1.891 13.086 1.00 0.00 N ATOM 169 CA LYS A 894 -7.858 1.254 12.888 1.00 0.00 C ATOM 170 C LYS A 894 -8.493 1.605 11.536 1.00 0.00 C ATOM 171 O LYS A 894 -9.652 1.273 11.287 1.00 0.00 O ATOM 172 CB LYS A 894 -8.807 1.645 14.024 1.00 0.00 C ATOM 173 CG LYS A 894 -8.319 1.220 15.403 1.00 0.00 C ATOM 174 CD LYS A 894 -8.204 -0.297 15.537 1.00 0.00 C ATOM 175 CE LYS A 894 -9.546 -0.961 15.835 1.00 0.00 C ATOM 176 NZ LYS A 894 -10.520 -0.827 14.718 1.00 0.00 N ATOM 0 H LYS A 894 -5.807 1.226 13.318 1.00 0.00 H new ATOM 0 HA LYS A 894 -7.691 0.177 12.894 1.00 0.00 H new ATOM 0 HB2 LYS A 894 -8.945 2.726 14.014 1.00 0.00 H new ATOM 0 HB3 LYS A 894 -9.784 1.197 13.840 1.00 0.00 H new ATOM 0 HG2 LYS A 894 -7.347 1.674 15.598 1.00 0.00 H new ATOM 0 HG3 LYS A 894 -9.005 1.598 16.161 1.00 0.00 H new ATOM 0 HD2 LYS A 894 -7.795 -0.710 14.615 1.00 0.00 H new ATOM 0 HD3 LYS A 894 -7.499 -0.536 16.334 1.00 0.00 H new ATOM 0 HE2 LYS A 894 -9.384 -2.018 16.044 1.00 0.00 H new ATOM 0 HE3 LYS A 894 -9.972 -0.520 16.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 894 -11.158 -1.648 14.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 894 -11.076 0.043 14.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 894 -10.008 -0.782 13.814 1.00 0.00 H new ATOM 190 N ASN A 895 -7.729 2.284 10.683 1.00 0.00 N ATOM 191 CA ASN A 895 -8.237 2.849 9.430 1.00 0.00 C ATOM 192 C ASN A 895 -9.367 3.832 9.714 1.00 0.00 C ATOM 193 O ASN A 895 -10.178 4.140 8.842 1.00 0.00 O ATOM 194 CB ASN A 895 -8.721 1.755 8.469 1.00 0.00 C ATOM 195 CG ASN A 895 -7.628 1.261 7.544 1.00 0.00 C ATOM 196 OD1 ASN A 895 -6.451 1.233 7.906 1.00 0.00 O ATOM 197 ND2 ASN A 895 -8.011 0.874 6.337 1.00 0.00 N ATOM 0 H ASN A 895 -6.737 2.460 10.840 1.00 0.00 H new ATOM 0 HA ASN A 895 -7.413 3.375 8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -9.109 0.916 9.047 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -9.548 2.141 7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -7.320 0.536 5.667 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -8.997 0.913 6.078 1.00 0.00 H new ATOM 204 N VAL A 896 -9.385 4.354 10.932 1.00 0.00 N ATOM 205 CA VAL A 896 -10.342 5.372 11.313 1.00 0.00 C ATOM 206 C VAL A 896 -9.631 6.712 11.339 1.00 0.00 C ATOM 207 O VAL A 896 -10.232 7.772 11.135 1.00 0.00 O ATOM 208 CB VAL A 896 -10.990 5.073 12.690 1.00 0.00 C ATOM 209 CG1 VAL A 896 -9.964 5.138 13.811 1.00 0.00 C ATOM 210 CG2 VAL A 896 -12.150 6.021 12.960 1.00 0.00 C ATOM 0 H VAL A 896 -8.741 4.084 11.675 1.00 0.00 H new ATOM 0 HA VAL A 896 -11.151 5.386 10.583 1.00 0.00 H new ATOM 0 HB VAL A 896 -11.381 4.056 12.659 1.00 0.00 H new ATOM 0 HG11 VAL A 896 -10.451 4.924 14.763 1.00 0.00 H new ATOM 0 HG12 VAL A 896 -9.181 4.402 13.630 1.00 0.00 H new ATOM 0 HG13 VAL A 896 -9.525 6.135 13.845 1.00 0.00 H new ATOM 0 HG21 VAL A 896 -12.589 5.792 13.931 1.00 0.00 H new ATOM 0 HG22 VAL A 896 -11.788 7.049 12.959 1.00 0.00 H new ATOM 0 HG23 VAL A 896 -12.906 5.902 12.184 1.00 0.00 H new ATOM 220 N GLY A 897 -8.332 6.654 11.602 1.00 0.00 N ATOM 221 CA GLY A 897 -7.528 7.842 11.556 1.00 0.00 C ATOM 222 C GLY A 897 -6.176 7.601 10.940 1.00 0.00 C ATOM 223 O GLY A 897 -5.695 6.468 10.899 1.00 0.00 O ATOM 0 H GLY A 897 -7.828 5.801 11.846 1.00 0.00 H new ATOM 0 HA2 GLY A 897 -8.052 8.609 10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 897 -7.399 8.229 12.567 1.00 0.00 H new ATOM 227 N TRP A 898 -5.565 8.669 10.471 1.00 0.00 N ATOM 228 CA TRP A 898 -4.202 8.620 9.985 1.00 0.00 C ATOM 229 C TRP A 898 -3.390 9.611 10.797 1.00 0.00 C ATOM 230 O TRP A 898 -3.843 10.728 11.022 1.00 0.00 O ATOM 231 CB TRP A 898 -4.149 8.986 8.497 1.00 0.00 C ATOM 232 CG TRP A 898 -5.400 8.623 7.752 1.00 0.00 C ATOM 233 CD1 TRP A 898 -6.445 9.455 7.465 1.00 0.00 C ATOM 234 CD2 TRP A 898 -5.744 7.343 7.208 1.00 0.00 C ATOM 235 NE1 TRP A 898 -7.422 8.770 6.790 1.00 0.00 N ATOM 236 CE2 TRP A 898 -7.015 7.472 6.615 1.00 0.00 C ATOM 237 CE3 TRP A 898 -5.107 6.101 7.170 1.00 0.00 C ATOM 238 CZ2 TRP A 898 -7.653 6.407 5.985 1.00 0.00 C ATOM 239 CZ3 TRP A 898 -5.742 5.045 6.544 1.00 0.00 C ATOM 240 CH2 TRP A 898 -7.006 5.203 5.963 1.00 0.00 C ATOM 0 H TRP A 898 -5.997 9.591 10.416 1.00 0.00 H new ATOM 0 HA TRP A 898 -3.798 7.613 10.093 1.00 0.00 H new ATOM 0 HB2 TRP A 898 -3.974 10.057 8.399 1.00 0.00 H new ATOM 0 HB3 TRP A 898 -3.300 8.481 8.036 1.00 0.00 H new ATOM 0 HD1 TRP A 898 -6.494 10.501 7.731 1.00 0.00 H new ATOM 0 HE1 TRP A 898 -8.308 9.162 6.470 1.00 0.00 H new ATOM 0 HE3 TRP A 898 -4.135 5.968 7.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 898 -8.625 6.528 5.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 898 -5.255 4.082 6.502 1.00 0.00 H new ATOM 0 HH2 TRP A 898 -7.479 4.357 5.488 1.00 0.00 H new ATOM 251 N ALA A 899 -2.210 9.227 11.234 1.00 0.00 N ATOM 252 CA ALA A 899 -1.408 10.108 12.061 1.00 0.00 C ATOM 253 C ALA A 899 -0.061 10.375 11.423 1.00 0.00 C ATOM 254 O ALA A 899 0.632 9.454 11.006 1.00 0.00 O ATOM 255 CB ALA A 899 -1.231 9.510 13.448 1.00 0.00 C ATOM 0 H ALA A 899 -1.786 8.321 11.034 1.00 0.00 H new ATOM 0 HA ALA A 899 -1.931 11.060 12.153 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -0.627 10.181 14.059 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -2.207 9.375 13.913 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -0.731 8.545 13.367 1.00 0.00 H new ATOM 261 N THR A 900 0.301 11.638 11.347 1.00 0.00 N ATOM 262 CA THR A 900 1.590 12.033 10.823 1.00 0.00 C ATOM 263 C THR A 900 2.404 12.693 11.925 1.00 0.00 C ATOM 264 O THR A 900 1.948 13.651 12.552 1.00 0.00 O ATOM 265 CB THR A 900 1.424 13.010 9.644 1.00 0.00 C ATOM 266 OG1 THR A 900 0.468 12.483 8.714 1.00 0.00 O ATOM 267 CG2 THR A 900 2.750 13.245 8.935 1.00 0.00 C ATOM 0 H THR A 900 -0.287 12.416 11.645 1.00 0.00 H new ATOM 0 HA THR A 900 2.108 11.144 10.464 1.00 0.00 H new ATOM 0 HB THR A 900 1.072 13.964 10.037 1.00 0.00 H new ATOM 0 HG1 THR A 900 0.362 13.106 7.965 1.00 0.00 H new ATOM 0 HG21 THR A 900 2.602 13.939 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 900 3.469 13.667 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 900 3.130 12.298 8.551 1.00 0.00 H new ATOM 275 N GLN A 901 3.595 12.177 12.171 1.00 0.00 N ATOM 276 CA GLN A 901 4.446 12.723 13.209 1.00 0.00 C ATOM 277 C GLN A 901 5.522 13.614 12.609 1.00 0.00 C ATOM 278 O GLN A 901 6.352 13.168 11.814 1.00 0.00 O ATOM 279 CB GLN A 901 5.070 11.603 14.050 1.00 0.00 C ATOM 280 CG GLN A 901 5.794 10.535 13.241 1.00 0.00 C ATOM 281 CD GLN A 901 6.486 9.511 14.120 1.00 0.00 C ATOM 282 OE1 GLN A 901 6.044 9.228 15.233 1.00 0.00 O ATOM 283 NE2 GLN A 901 7.580 8.950 13.631 1.00 0.00 N ATOM 0 H GLN A 901 3.992 11.384 11.668 1.00 0.00 H new ATOM 0 HA GLN A 901 3.828 13.333 13.868 1.00 0.00 H new ATOM 0 HB2 GLN A 901 5.773 12.045 14.756 1.00 0.00 H new ATOM 0 HB3 GLN A 901 4.285 11.126 14.637 1.00 0.00 H new ATOM 0 HG2 GLN A 901 5.080 10.029 12.592 1.00 0.00 H new ATOM 0 HG3 GLN A 901 6.531 11.011 12.594 1.00 0.00 H new ATOM 0 HE21 GLN A 901 7.916 9.210 12.704 1.00 0.00 H new ATOM 0 HE22 GLN A 901 8.087 8.257 14.181 1.00 0.00 H new ATOM 292 N LEU A 902 5.480 14.884 12.968 1.00 0.00 N ATOM 293 CA LEU A 902 6.488 15.831 12.532 1.00 0.00 C ATOM 294 C LEU A 902 7.564 15.943 13.597 1.00 0.00 C ATOM 295 O LEU A 902 7.259 16.014 14.789 1.00 0.00 O ATOM 296 CB LEU A 902 5.879 17.214 12.252 1.00 0.00 C ATOM 297 CG LEU A 902 4.988 17.320 11.004 1.00 0.00 C ATOM 298 CD1 LEU A 902 5.695 16.748 9.785 1.00 0.00 C ATOM 299 CD2 LEU A 902 3.645 16.639 11.223 1.00 0.00 C ATOM 0 H LEU A 902 4.755 15.284 13.563 1.00 0.00 H new ATOM 0 HA LEU A 902 6.922 15.467 11.601 1.00 0.00 H new ATOM 0 HB2 LEU A 902 5.291 17.512 13.120 1.00 0.00 H new ATOM 0 HB3 LEU A 902 6.692 17.934 12.155 1.00 0.00 H new ATOM 0 HG LEU A 902 4.796 18.377 10.821 1.00 0.00 H new ATOM 0 HD11 LEU A 902 5.045 16.834 8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 902 6.617 17.301 9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 902 5.930 15.698 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 902 3.039 16.732 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 902 3.804 15.584 11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 902 3.129 17.113 12.058 1.00 0.00 H new ATOM 311 N THR A 903 8.816 15.970 13.170 1.00 0.00 N ATOM 312 CA THR A 903 9.941 16.024 14.094 1.00 0.00 C ATOM 313 C THR A 903 9.941 17.335 14.892 1.00 0.00 C ATOM 314 O THR A 903 10.630 17.467 15.905 1.00 0.00 O ATOM 315 CB THR A 903 11.269 15.866 13.330 1.00 0.00 C ATOM 316 OG1 THR A 903 11.145 14.808 12.365 1.00 0.00 O ATOM 317 CG2 THR A 903 12.413 15.545 14.280 1.00 0.00 C ATOM 0 H THR A 903 9.081 15.955 12.185 1.00 0.00 H new ATOM 0 HA THR A 903 9.837 15.199 14.799 1.00 0.00 H new ATOM 0 HB THR A 903 11.488 16.809 12.829 1.00 0.00 H new ATOM 0 HG1 THR A 903 11.990 14.709 11.878 1.00 0.00 H new ATOM 0 HG21 THR A 903 13.338 15.439 13.713 1.00 0.00 H new ATOM 0 HG22 THR A 903 12.522 16.352 15.004 1.00 0.00 H new ATOM 0 HG23 THR A 903 12.200 14.613 14.804 1.00 0.00 H new ATOM 325 N SER A 904 9.132 18.293 14.448 1.00 0.00 N ATOM 326 CA SER A 904 9.002 19.569 15.138 1.00 0.00 C ATOM 327 C SER A 904 8.070 19.450 16.345 1.00 0.00 C ATOM 328 O SER A 904 7.822 20.428 17.054 1.00 0.00 O ATOM 329 CB SER A 904 8.469 20.621 14.169 1.00 0.00 C ATOM 330 OG SER A 904 9.221 20.619 12.968 1.00 0.00 O ATOM 0 H SER A 904 8.556 18.207 13.611 1.00 0.00 H new ATOM 0 HA SER A 904 9.986 19.869 15.500 1.00 0.00 H new ATOM 0 HB2 SER A 904 7.420 20.422 13.948 1.00 0.00 H new ATOM 0 HB3 SER A 904 8.516 21.607 14.632 1.00 0.00 H new ATOM 0 HG SER A 904 8.865 21.298 12.358 1.00 0.00 H new ATOM 336 N GLY A 905 7.554 18.248 16.570 1.00 0.00 N ATOM 337 CA GLY A 905 6.711 18.004 17.723 1.00 0.00 C ATOM 338 C GLY A 905 5.237 18.144 17.407 1.00 0.00 C ATOM 339 O GLY A 905 4.399 18.103 18.305 1.00 0.00 O ATOM 0 H GLY A 905 7.705 17.436 15.972 1.00 0.00 H new ATOM 0 HA2 GLY A 905 6.904 17.001 18.103 1.00 0.00 H new ATOM 0 HA3 GLY A 905 6.976 18.702 18.517 1.00 0.00 H new ATOM 343 N ALA A 906 4.916 18.325 16.138 1.00 0.00 N ATOM 344 CA ALA A 906 3.533 18.445 15.727 1.00 0.00 C ATOM 345 C ALA A 906 2.980 17.081 15.360 1.00 0.00 C ATOM 346 O ALA A 906 3.657 16.283 14.707 1.00 0.00 O ATOM 347 CB ALA A 906 3.409 19.407 14.556 1.00 0.00 C ATOM 0 H ALA A 906 5.593 18.392 15.378 1.00 0.00 H new ATOM 0 HA ALA A 906 2.952 18.844 16.558 1.00 0.00 H new ATOM 0 HB1 ALA A 906 2.363 19.486 14.259 1.00 0.00 H new ATOM 0 HB2 ALA A 906 3.778 20.389 14.852 1.00 0.00 H new ATOM 0 HB3 ALA A 906 3.997 19.036 13.717 1.00 0.00 H new ATOM 353 N VAL A 907 1.760 16.810 15.781 1.00 0.00 N ATOM 354 CA VAL A 907 1.089 15.586 15.401 1.00 0.00 C ATOM 355 C VAL A 907 -0.147 15.921 14.585 1.00 0.00 C ATOM 356 O VAL A 907 -1.037 16.635 15.051 1.00 0.00 O ATOM 357 CB VAL A 907 0.678 14.753 16.637 1.00 0.00 C ATOM 358 CG1 VAL A 907 0.055 13.428 16.219 1.00 0.00 C ATOM 359 CG2 VAL A 907 1.872 14.516 17.550 1.00 0.00 C ATOM 0 H VAL A 907 1.214 17.423 16.387 1.00 0.00 H new ATOM 0 HA VAL A 907 1.784 14.990 14.809 1.00 0.00 H new ATOM 0 HB VAL A 907 -0.070 15.321 17.190 1.00 0.00 H new ATOM 0 HG11 VAL A 907 -0.225 12.861 17.107 1.00 0.00 H new ATOM 0 HG12 VAL A 907 -0.832 13.618 15.615 1.00 0.00 H new ATOM 0 HG13 VAL A 907 0.776 12.855 15.636 1.00 0.00 H new ATOM 0 HG21 VAL A 907 1.559 13.928 18.413 1.00 0.00 H new ATOM 0 HG22 VAL A 907 2.646 13.976 17.004 1.00 0.00 H new ATOM 0 HG23 VAL A 907 2.267 15.474 17.888 1.00 0.00 H new ATOM 369 N TRP A 908 -0.198 15.409 13.369 1.00 0.00 N ATOM 370 CA TRP A 908 -1.329 15.655 12.494 1.00 0.00 C ATOM 371 C TRP A 908 -2.123 14.369 12.315 1.00 0.00 C ATOM 372 O TRP A 908 -1.637 13.416 11.710 1.00 0.00 O ATOM 373 CB TRP A 908 -0.814 16.160 11.141 1.00 0.00 C ATOM 374 CG TRP A 908 -1.857 16.808 10.286 1.00 0.00 C ATOM 375 CD1 TRP A 908 -2.832 16.188 9.562 1.00 0.00 C ATOM 376 CD2 TRP A 908 -2.014 18.211 10.052 1.00 0.00 C ATOM 377 NE1 TRP A 908 -3.588 17.121 8.896 1.00 0.00 N ATOM 378 CE2 TRP A 908 -3.107 18.370 9.182 1.00 0.00 C ATOM 379 CE3 TRP A 908 -1.337 19.350 10.500 1.00 0.00 C ATOM 380 CZ2 TRP A 908 -3.536 19.621 8.747 1.00 0.00 C ATOM 381 CZ3 TRP A 908 -1.764 20.592 10.068 1.00 0.00 C ATOM 382 CH2 TRP A 908 -2.856 20.718 9.201 1.00 0.00 C ATOM 0 H TRP A 908 0.531 14.820 12.965 1.00 0.00 H new ATOM 0 HA TRP A 908 -1.983 16.410 12.931 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.009 16.874 11.316 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.383 15.322 10.594 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -2.987 15.120 9.519 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -4.380 16.916 8.287 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.496 19.261 11.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 -4.376 19.722 8.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -1.247 21.479 10.405 1.00 0.00 H new ATOM 0 HH2 TRP A 908 -3.168 21.702 8.884 1.00 0.00 H new ATOM 393 N VAL A 909 -3.333 14.329 12.846 1.00 0.00 N ATOM 394 CA VAL A 909 -4.163 13.141 12.721 1.00 0.00 C ATOM 395 C VAL A 909 -5.423 13.438 11.924 1.00 0.00 C ATOM 396 O VAL A 909 -6.265 14.215 12.350 1.00 0.00 O ATOM 397 CB VAL A 909 -4.564 12.564 14.097 1.00 0.00 C ATOM 398 CG1 VAL A 909 -5.347 11.270 13.925 1.00 0.00 C ATOM 399 CG2 VAL A 909 -3.340 12.333 14.968 1.00 0.00 C ATOM 0 H VAL A 909 -3.760 15.097 13.363 1.00 0.00 H new ATOM 0 HA VAL A 909 -3.562 12.399 12.196 1.00 0.00 H new ATOM 0 HB VAL A 909 -5.202 13.293 14.596 1.00 0.00 H new ATOM 0 HG11 VAL A 909 -5.621 10.878 14.904 1.00 0.00 H new ATOM 0 HG12 VAL A 909 -6.250 11.465 13.347 1.00 0.00 H new ATOM 0 HG13 VAL A 909 -4.731 10.539 13.401 1.00 0.00 H new ATOM 0 HG21 VAL A 909 -3.650 11.927 15.931 1.00 0.00 H new ATOM 0 HG22 VAL A 909 -2.671 11.628 14.475 1.00 0.00 H new ATOM 0 HG23 VAL A 909 -2.820 13.279 15.124 1.00 0.00 H new ATOM 409 N GLN A 910 -5.567 12.790 10.786 1.00 0.00 N ATOM 410 CA GLN A 910 -6.763 12.953 9.972 1.00 0.00 C ATOM 411 C GLN A 910 -7.780 11.872 10.298 1.00 0.00 C ATOM 412 O GLN A 910 -7.443 10.843 10.886 1.00 0.00 O ATOM 413 CB GLN A 910 -6.438 12.917 8.477 1.00 0.00 C ATOM 414 CG GLN A 910 -5.675 14.132 7.986 1.00 0.00 C ATOM 415 CD GLN A 910 -5.598 14.184 6.474 1.00 0.00 C ATOM 416 OE1 GLN A 910 -4.669 13.650 5.869 1.00 0.00 O ATOM 417 NE2 GLN A 910 -6.580 14.824 5.855 1.00 0.00 N ATOM 0 H GLN A 910 -4.875 12.147 10.401 1.00 0.00 H new ATOM 0 HA GLN A 910 -7.184 13.931 10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 910 -5.854 12.022 8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 910 -7.368 12.832 7.915 1.00 0.00 H new ATOM 0 HG2 GLN A 910 -6.158 15.037 8.355 1.00 0.00 H new ATOM 0 HG3 GLN A 910 -4.667 14.118 8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 910 -7.331 15.252 6.397 1.00 0.00 H new ATOM 0 HE22 GLN A 910 -6.585 14.888 4.837 1.00 0.00 H new ATOM 426 N PHE A 911 -9.025 12.123 9.941 1.00 0.00 N ATOM 427 CA PHE A 911 -10.092 11.157 10.125 1.00 0.00 C ATOM 428 C PHE A 911 -10.432 10.535 8.775 1.00 0.00 C ATOM 429 O PHE A 911 -10.038 11.062 7.735 1.00 0.00 O ATOM 430 CB PHE A 911 -11.319 11.843 10.740 1.00 0.00 C ATOM 431 CG PHE A 911 -12.353 10.897 11.293 1.00 0.00 C ATOM 432 CD1 PHE A 911 -12.186 10.327 12.544 1.00 0.00 C ATOM 433 CD2 PHE A 911 -13.497 10.590 10.570 1.00 0.00 C ATOM 434 CE1 PHE A 911 -13.135 9.467 13.063 1.00 0.00 C ATOM 435 CE2 PHE A 911 -14.448 9.730 11.084 1.00 0.00 C ATOM 436 CZ PHE A 911 -14.268 9.169 12.332 1.00 0.00 C ATOM 0 H PHE A 911 -9.325 13.000 9.516 1.00 0.00 H new ATOM 0 HA PHE A 911 -9.771 10.370 10.808 1.00 0.00 H new ATOM 0 HB2 PHE A 911 -10.986 12.505 11.539 1.00 0.00 H new ATOM 0 HB3 PHE A 911 -11.787 12.470 9.981 1.00 0.00 H new ATOM 0 HD1 PHE A 911 -11.303 10.558 13.121 1.00 0.00 H new ATOM 0 HD2 PHE A 911 -13.646 11.028 9.594 1.00 0.00 H new ATOM 0 HE1 PHE A 911 -12.991 9.028 14.039 1.00 0.00 H new ATOM 0 HE2 PHE A 911 -15.332 9.497 10.509 1.00 0.00 H new ATOM 0 HZ PHE A 911 -15.012 8.498 12.736 1.00 0.00 H new ATOM 446 N ASN A 912 -11.149 9.422 8.795 1.00 0.00 N ATOM 447 CA ASN A 912 -11.485 8.697 7.571 1.00 0.00 C ATOM 448 C ASN A 912 -12.303 9.562 6.605 1.00 0.00 C ATOM 449 O ASN A 912 -12.252 9.360 5.392 1.00 0.00 O ATOM 450 CB ASN A 912 -12.257 7.417 7.912 1.00 0.00 C ATOM 451 CG ASN A 912 -12.391 6.480 6.725 1.00 0.00 C ATOM 452 OD1 ASN A 912 -13.308 6.612 5.913 1.00 0.00 O ATOM 453 ND2 ASN A 912 -11.497 5.506 6.636 1.00 0.00 N ATOM 0 H ASN A 912 -11.513 8.996 9.648 1.00 0.00 H new ATOM 0 HA ASN A 912 -10.551 8.436 7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.750 6.897 8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -13.250 7.682 8.274 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.553 4.830 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.753 5.432 7.330 1.00 0.00 H new ATOM 460 N ASP A 913 -13.031 10.546 7.134 1.00 0.00 N ATOM 461 CA ASP A 913 -13.885 11.392 6.298 1.00 0.00 C ATOM 462 C ASP A 913 -13.096 12.567 5.718 1.00 0.00 C ATOM 463 O ASP A 913 -13.635 13.378 4.966 1.00 0.00 O ATOM 464 CB ASP A 913 -15.070 11.931 7.109 1.00 0.00 C ATOM 465 CG ASP A 913 -14.703 13.150 7.933 1.00 0.00 C ATOM 466 OD1 ASP A 913 -13.728 13.073 8.706 1.00 0.00 O ATOM 467 OD2 ASP A 913 -15.374 14.198 7.790 1.00 0.00 O ATOM 0 H ASP A 913 -13.047 10.776 8.128 1.00 0.00 H new ATOM 0 HA ASP A 913 -14.256 10.776 5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 913 -15.884 12.187 6.431 1.00 0.00 H new ATOM 0 HB3 ASP A 913 -15.440 11.147 7.770 1.00 0.00 H new ATOM 472 N GLY A 914 -11.813 12.639 6.043 1.00 0.00 N ATOM 473 CA GLY A 914 -10.961 13.672 5.483 1.00 0.00 C ATOM 474 C GLY A 914 -10.813 14.892 6.375 1.00 0.00 C ATOM 475 O GLY A 914 -10.183 15.873 5.977 1.00 0.00 O ATOM 0 H GLY A 914 -11.345 12.000 6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 914 -9.974 13.252 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 914 -11.368 13.984 4.521 1.00 0.00 H new ATOM 479 N SER A 915 -11.376 14.847 7.575 1.00 0.00 N ATOM 480 CA SER A 915 -11.170 15.923 8.536 1.00 0.00 C ATOM 481 C SER A 915 -9.831 15.726 9.234 1.00 0.00 C ATOM 482 O SER A 915 -9.258 14.638 9.175 1.00 0.00 O ATOM 483 CB SER A 915 -12.310 15.971 9.553 1.00 0.00 C ATOM 484 OG SER A 915 -12.463 14.728 10.215 1.00 0.00 O ATOM 0 H SER A 915 -11.972 14.087 7.904 1.00 0.00 H new ATOM 0 HA SER A 915 -11.161 16.876 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 915 -12.114 16.754 10.286 1.00 0.00 H new ATOM 0 HB3 SER A 915 -13.240 16.233 9.048 1.00 0.00 H new ATOM 0 HG SER A 915 -13.127 14.185 9.742 1.00 0.00 H new ATOM 490 N GLN A 916 -9.309 16.758 9.875 1.00 0.00 N ATOM 491 CA GLN A 916 -8.006 16.637 10.509 1.00 0.00 C ATOM 492 C GLN A 916 -8.003 17.178 11.932 1.00 0.00 C ATOM 493 O GLN A 916 -8.798 18.041 12.290 1.00 0.00 O ATOM 494 CB GLN A 916 -6.916 17.324 9.671 1.00 0.00 C ATOM 495 CG GLN A 916 -7.188 18.784 9.324 1.00 0.00 C ATOM 496 CD GLN A 916 -8.148 18.954 8.156 1.00 0.00 C ATOM 497 OE1 GLN A 916 -9.357 19.058 8.337 1.00 0.00 O ATOM 498 NE2 GLN A 916 -7.615 18.988 6.947 1.00 0.00 N ATOM 0 H GLN A 916 -9.755 17.670 9.970 1.00 0.00 H new ATOM 0 HA GLN A 916 -7.783 15.571 10.565 1.00 0.00 H new ATOM 0 HB2 GLN A 916 -5.972 17.266 10.213 1.00 0.00 H new ATOM 0 HB3 GLN A 916 -6.786 16.765 8.744 1.00 0.00 H new ATOM 0 HG2 GLN A 916 -7.598 19.288 10.199 1.00 0.00 H new ATOM 0 HG3 GLN A 916 -6.245 19.276 9.085 1.00 0.00 H new ATOM 0 HE21 GLN A 916 -6.605 18.899 6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 916 -8.213 19.104 6.129 1.00 0.00 H new ATOM 507 N LEU A 917 -7.100 16.641 12.735 1.00 0.00 N ATOM 508 CA LEU A 917 -6.881 17.096 14.096 1.00 0.00 C ATOM 509 C LEU A 917 -5.401 17.405 14.267 1.00 0.00 C ATOM 510 O LEU A 917 -4.549 16.638 13.814 1.00 0.00 O ATOM 511 CB LEU A 917 -7.286 16.022 15.127 1.00 0.00 C ATOM 512 CG LEU A 917 -8.777 15.650 15.204 1.00 0.00 C ATOM 513 CD1 LEU A 917 -9.218 14.846 13.991 1.00 0.00 C ATOM 514 CD2 LEU A 917 -9.055 14.863 16.475 1.00 0.00 C ATOM 0 H LEU A 917 -6.493 15.870 12.457 1.00 0.00 H new ATOM 0 HA LEU A 917 -7.494 17.980 14.268 1.00 0.00 H new ATOM 0 HB2 LEU A 917 -6.722 15.115 14.910 1.00 0.00 H new ATOM 0 HB3 LEU A 917 -6.972 16.364 16.113 1.00 0.00 H new ATOM 0 HG LEU A 917 -9.349 16.578 15.218 1.00 0.00 H new ATOM 0 HD11 LEU A 917 -10.276 14.602 14.081 1.00 0.00 H new ATOM 0 HD12 LEU A 917 -9.057 15.433 13.087 1.00 0.00 H new ATOM 0 HD13 LEU A 917 -8.637 13.925 13.934 1.00 0.00 H new ATOM 0 HD21 LEU A 917 -10.113 14.605 16.519 1.00 0.00 H new ATOM 0 HD22 LEU A 917 -8.459 13.951 16.476 1.00 0.00 H new ATOM 0 HD23 LEU A 917 -8.793 15.468 17.343 1.00 0.00 H new ATOM 526 N VAL A 918 -5.091 18.520 14.902 1.00 0.00 N ATOM 527 CA VAL A 918 -3.709 18.878 15.161 1.00 0.00 C ATOM 528 C VAL A 918 -3.426 18.820 16.655 1.00 0.00 C ATOM 529 O VAL A 918 -4.103 19.476 17.448 1.00 0.00 O ATOM 530 CB VAL A 918 -3.377 20.289 14.631 1.00 0.00 C ATOM 531 CG1 VAL A 918 -1.891 20.581 14.783 1.00 0.00 C ATOM 532 CG2 VAL A 918 -3.811 20.438 13.179 1.00 0.00 C ATOM 0 H VAL A 918 -5.776 19.192 15.247 1.00 0.00 H new ATOM 0 HA VAL A 918 -3.080 18.160 14.636 1.00 0.00 H new ATOM 0 HB VAL A 918 -3.931 21.016 15.225 1.00 0.00 H new ATOM 0 HG11 VAL A 918 -1.676 21.580 14.404 1.00 0.00 H new ATOM 0 HG12 VAL A 918 -1.615 20.525 15.836 1.00 0.00 H new ATOM 0 HG13 VAL A 918 -1.316 19.847 14.218 1.00 0.00 H new ATOM 0 HG21 VAL A 918 -3.567 21.440 12.827 1.00 0.00 H new ATOM 0 HG22 VAL A 918 -3.291 19.702 12.566 1.00 0.00 H new ATOM 0 HG23 VAL A 918 -4.887 20.279 13.103 1.00 0.00 H new ATOM 542 N VAL A 919 -2.446 18.016 17.035 1.00 0.00 N ATOM 543 CA VAL A 919 -2.040 17.902 18.427 1.00 0.00 C ATOM 544 C VAL A 919 -0.588 18.331 18.586 1.00 0.00 C ATOM 545 O VAL A 919 0.253 17.989 17.754 1.00 0.00 O ATOM 546 CB VAL A 919 -2.196 16.455 18.944 1.00 0.00 C ATOM 547 CG1 VAL A 919 -1.890 16.372 20.433 1.00 0.00 C ATOM 548 CG2 VAL A 919 -3.591 15.929 18.653 1.00 0.00 C ATOM 0 H VAL A 919 -1.913 17.428 16.394 1.00 0.00 H new ATOM 0 HA VAL A 919 -2.688 18.554 19.012 1.00 0.00 H new ATOM 0 HB VAL A 919 -1.476 15.829 18.416 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -2.007 15.343 20.772 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -0.866 16.699 20.613 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -2.578 17.015 20.982 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.680 14.908 19.025 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -4.329 16.561 19.147 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -3.767 15.940 17.577 1.00 0.00 H new ATOM 558 N GLN A 920 -0.290 19.093 19.625 1.00 0.00 N ATOM 559 CA GLN A 920 1.092 19.435 19.921 1.00 0.00 C ATOM 560 C GLN A 920 1.659 18.430 20.916 1.00 0.00 C ATOM 561 O GLN A 920 0.976 18.034 21.861 1.00 0.00 O ATOM 562 CB GLN A 920 1.188 20.848 20.500 1.00 0.00 C ATOM 563 CG GLN A 920 0.536 21.916 19.637 1.00 0.00 C ATOM 564 CD GLN A 920 1.170 22.041 18.266 1.00 0.00 C ATOM 565 OE1 GLN A 920 2.363 21.796 18.087 1.00 0.00 O ATOM 566 NE2 GLN A 920 0.372 22.431 17.285 1.00 0.00 N ATOM 0 H GLN A 920 -0.977 19.483 20.271 1.00 0.00 H new ATOM 0 HA GLN A 920 1.668 19.403 18.996 1.00 0.00 H new ATOM 0 HB2 GLN A 920 0.723 20.858 21.486 1.00 0.00 H new ATOM 0 HB3 GLN A 920 2.239 21.101 20.641 1.00 0.00 H new ATOM 0 HG2 GLN A 920 -0.523 21.685 19.521 1.00 0.00 H new ATOM 0 HG3 GLN A 920 0.599 22.876 20.149 1.00 0.00 H new ATOM 0 HE21 GLN A 920 -0.611 22.624 17.474 1.00 0.00 H new ATOM 0 HE22 GLN A 920 0.740 22.538 16.340 1.00 0.00 H new ATOM 575 N ALA A 921 2.894 18.011 20.699 1.00 0.00 N ATOM 576 CA ALA A 921 3.561 17.101 21.619 1.00 0.00 C ATOM 577 C ALA A 921 3.706 17.728 23.001 1.00 0.00 C ATOM 578 O ALA A 921 4.176 18.859 23.131 1.00 0.00 O ATOM 579 CB ALA A 921 4.923 16.696 21.079 1.00 0.00 C ATOM 0 H ALA A 921 3.457 18.286 19.894 1.00 0.00 H new ATOM 0 HA ALA A 921 2.943 16.208 21.713 1.00 0.00 H new ATOM 0 HB1 ALA A 921 5.405 16.016 21.781 1.00 0.00 H new ATOM 0 HB2 ALA A 921 4.800 16.198 20.118 1.00 0.00 H new ATOM 0 HB3 ALA A 921 5.542 17.584 20.951 1.00 0.00 H new ATOM 585 N GLY A 922 3.292 16.996 24.024 1.00 0.00 N ATOM 586 CA GLY A 922 3.497 17.444 25.386 1.00 0.00 C ATOM 587 C GLY A 922 2.278 18.113 25.990 1.00 0.00 C ATOM 588 O GLY A 922 2.270 18.423 27.182 1.00 0.00 O ATOM 0 H GLY A 922 2.817 16.098 23.935 1.00 0.00 H new ATOM 0 HA2 GLY A 922 3.777 16.590 26.003 1.00 0.00 H new ATOM 0 HA3 GLY A 922 4.334 18.142 25.409 1.00 0.00 H new ATOM 592 N VAL A 923 1.243 18.336 25.188 1.00 0.00 N ATOM 593 CA VAL A 923 0.020 18.958 25.686 1.00 0.00 C ATOM 594 C VAL A 923 -1.205 18.149 25.276 1.00 0.00 C ATOM 595 O VAL A 923 -1.168 17.396 24.303 1.00 0.00 O ATOM 596 CB VAL A 923 -0.145 20.420 25.199 1.00 0.00 C ATOM 597 CG1 VAL A 923 1.014 21.286 25.674 1.00 0.00 C ATOM 598 CG2 VAL A 923 -0.279 20.482 23.684 1.00 0.00 C ATOM 0 H VAL A 923 1.225 18.097 24.196 1.00 0.00 H new ATOM 0 HA VAL A 923 0.105 18.974 26.773 1.00 0.00 H new ATOM 0 HB VAL A 923 -1.064 20.814 25.634 1.00 0.00 H new ATOM 0 HG11 VAL A 923 0.875 22.307 25.319 1.00 0.00 H new ATOM 0 HG12 VAL A 923 1.049 21.282 26.763 1.00 0.00 H new ATOM 0 HG13 VAL A 923 1.950 20.890 25.280 1.00 0.00 H new ATOM 0 HG21 VAL A 923 -0.393 21.520 23.371 1.00 0.00 H new ATOM 0 HG22 VAL A 923 0.614 20.060 23.222 1.00 0.00 H new ATOM 0 HG23 VAL A 923 -1.153 19.911 23.372 1.00 0.00 H new ATOM 608 N SER A 924 -2.280 18.302 26.032 1.00 0.00 N ATOM 609 CA SER A 924 -3.525 17.598 25.760 1.00 0.00 C ATOM 610 C SER A 924 -4.439 18.418 24.850 1.00 0.00 C ATOM 611 O SER A 924 -5.481 17.941 24.405 1.00 0.00 O ATOM 612 CB SER A 924 -4.221 17.291 27.085 1.00 0.00 C ATOM 613 OG SER A 924 -4.146 18.404 27.963 1.00 0.00 O ATOM 0 H SER A 924 -2.316 18.914 26.847 1.00 0.00 H new ATOM 0 HA SER A 924 -3.300 16.667 25.239 1.00 0.00 H new ATOM 0 HB2 SER A 924 -5.265 17.036 26.902 1.00 0.00 H new ATOM 0 HB3 SER A 924 -3.757 16.422 27.552 1.00 0.00 H new ATOM 0 HG SER A 924 -4.763 18.271 28.713 1.00 0.00 H new ATOM 619 N SER A 925 -4.036 19.651 24.577 1.00 0.00 N ATOM 620 CA SER A 925 -4.821 20.547 23.742 1.00 0.00 C ATOM 621 C SER A 925 -4.770 20.114 22.277 1.00 0.00 C ATOM 622 O SER A 925 -3.692 19.904 21.714 1.00 0.00 O ATOM 623 CB SER A 925 -4.307 21.976 23.901 1.00 0.00 C ATOM 624 OG SER A 925 -4.302 22.351 25.270 1.00 0.00 O ATOM 0 H SER A 925 -3.166 20.054 24.924 1.00 0.00 H new ATOM 0 HA SER A 925 -5.862 20.505 24.063 1.00 0.00 H new ATOM 0 HB2 SER A 925 -3.300 22.054 23.492 1.00 0.00 H new ATOM 0 HB3 SER A 925 -4.936 22.661 23.332 1.00 0.00 H new ATOM 0 HG SER A 925 -3.969 23.268 25.357 1.00 0.00 H new ATOM 630 N ILE A 926 -5.942 19.986 21.674 1.00 0.00 N ATOM 631 CA ILE A 926 -6.064 19.494 20.309 1.00 0.00 C ATOM 632 C ILE A 926 -6.878 20.471 19.457 1.00 0.00 C ATOM 633 O ILE A 926 -7.791 21.129 19.951 1.00 0.00 O ATOM 634 CB ILE A 926 -6.706 18.072 20.311 1.00 0.00 C ATOM 635 CG1 ILE A 926 -7.059 17.576 18.894 1.00 0.00 C ATOM 636 CG2 ILE A 926 -7.933 18.041 21.216 1.00 0.00 C ATOM 637 CD1 ILE A 926 -8.468 17.918 18.437 1.00 0.00 C ATOM 0 H ILE A 926 -6.832 20.219 22.114 1.00 0.00 H new ATOM 0 HA ILE A 926 -5.070 19.419 19.867 1.00 0.00 H new ATOM 0 HB ILE A 926 -5.956 17.386 20.705 1.00 0.00 H new ATOM 0 HG12 ILE A 926 -6.348 18.002 18.186 1.00 0.00 H new ATOM 0 HG13 ILE A 926 -6.933 16.494 18.860 1.00 0.00 H new ATOM 0 HG21 ILE A 926 -8.368 17.042 21.205 1.00 0.00 H new ATOM 0 HG22 ILE A 926 -7.641 18.299 22.234 1.00 0.00 H new ATOM 0 HG23 ILE A 926 -8.669 18.761 20.857 1.00 0.00 H new ATOM 0 HD11 ILE A 926 -8.628 17.531 17.431 1.00 0.00 H new ATOM 0 HD12 ILE A 926 -9.191 17.469 19.118 1.00 0.00 H new ATOM 0 HD13 ILE A 926 -8.597 19.000 18.434 1.00 0.00 H new ATOM 649 N SER A 927 -6.534 20.579 18.184 1.00 0.00 N ATOM 650 CA SER A 927 -7.260 21.444 17.268 1.00 0.00 C ATOM 651 C SER A 927 -7.964 20.603 16.206 1.00 0.00 C ATOM 652 O SER A 927 -7.312 19.926 15.418 1.00 0.00 O ATOM 653 CB SER A 927 -6.288 22.418 16.598 1.00 0.00 C ATOM 654 OG SER A 927 -5.463 23.061 17.557 1.00 0.00 O ATOM 0 H SER A 927 -5.754 20.077 17.760 1.00 0.00 H new ATOM 0 HA SER A 927 -8.007 22.009 17.826 1.00 0.00 H new ATOM 0 HB2 SER A 927 -5.667 21.881 15.882 1.00 0.00 H new ATOM 0 HB3 SER A 927 -6.848 23.166 16.036 1.00 0.00 H new ATOM 0 HG SER A 927 -4.851 23.676 17.102 1.00 0.00 H new ATOM 660 N TYR A 928 -9.287 20.642 16.182 1.00 0.00 N ATOM 661 CA TYR A 928 -10.039 19.869 15.209 1.00 0.00 C ATOM 662 C TYR A 928 -10.409 20.747 14.027 1.00 0.00 C ATOM 663 O TYR A 928 -10.978 21.824 14.191 1.00 0.00 O ATOM 664 CB TYR A 928 -11.301 19.279 15.850 1.00 0.00 C ATOM 665 CG TYR A 928 -12.228 18.600 14.866 1.00 0.00 C ATOM 666 CD1 TYR A 928 -11.900 17.375 14.298 1.00 0.00 C ATOM 667 CD2 TYR A 928 -13.431 19.190 14.501 1.00 0.00 C ATOM 668 CE1 TYR A 928 -12.746 16.759 13.394 1.00 0.00 C ATOM 669 CE2 TYR A 928 -14.280 18.580 13.600 1.00 0.00 C ATOM 670 CZ TYR A 928 -13.934 17.367 13.048 1.00 0.00 C ATOM 671 OH TYR A 928 -14.779 16.760 12.148 1.00 0.00 O ATOM 0 H TYR A 928 -9.858 21.196 16.820 1.00 0.00 H new ATOM 0 HA TYR A 928 -9.416 19.046 14.858 1.00 0.00 H new ATOM 0 HB2 TYR A 928 -11.006 18.559 16.613 1.00 0.00 H new ATOM 0 HB3 TYR A 928 -11.846 20.076 16.357 1.00 0.00 H new ATOM 0 HD1 TYR A 928 -10.970 16.896 14.567 1.00 0.00 H new ATOM 0 HD2 TYR A 928 -13.707 20.142 14.929 1.00 0.00 H new ATOM 0 HE1 TYR A 928 -12.477 15.807 12.961 1.00 0.00 H new ATOM 0 HE2 TYR A 928 -15.213 19.052 13.329 1.00 0.00 H new ATOM 0 HH TYR A 928 -15.572 17.320 12.015 1.00 0.00 H new ATOM 681 N THR A 929 -10.077 20.285 12.845 1.00 0.00 N ATOM 682 CA THR A 929 -10.391 21.000 11.632 1.00 0.00 C ATOM 683 C THR A 929 -11.388 20.214 10.797 1.00 0.00 C ATOM 684 O THR A 929 -11.153 19.048 10.468 1.00 0.00 O ATOM 685 CB THR A 929 -9.122 21.263 10.804 1.00 0.00 C ATOM 686 OG1 THR A 929 -8.099 21.811 11.646 1.00 0.00 O ATOM 687 CG2 THR A 929 -9.407 22.223 9.658 1.00 0.00 C ATOM 0 H THR A 929 -9.583 19.405 12.698 1.00 0.00 H new ATOM 0 HA THR A 929 -10.831 21.957 11.913 1.00 0.00 H new ATOM 0 HB THR A 929 -8.785 20.315 10.384 1.00 0.00 H new ATOM 0 HG1 THR A 929 -7.292 21.975 11.115 1.00 0.00 H new ATOM 0 HG21 THR A 929 -8.493 22.392 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 929 -10.167 21.795 9.005 1.00 0.00 H new ATOM 0 HG23 THR A 929 -9.765 23.171 10.058 1.00 0.00 H new ATOM 695 N SER A 930 -12.507 20.838 10.482 1.00 0.00 N ATOM 696 CA SER A 930 -13.454 20.253 9.560 1.00 0.00 C ATOM 697 C SER A 930 -13.688 21.210 8.403 1.00 0.00 C ATOM 698 O SER A 930 -14.352 22.237 8.561 1.00 0.00 O ATOM 699 CB SER A 930 -14.775 19.926 10.259 1.00 0.00 C ATOM 700 OG SER A 930 -15.675 19.282 9.371 1.00 0.00 O ATOM 0 H SER A 930 -12.780 21.749 10.852 1.00 0.00 H new ATOM 0 HA SER A 930 -13.041 19.318 9.180 1.00 0.00 H new ATOM 0 HB2 SER A 930 -14.586 19.284 11.119 1.00 0.00 H new ATOM 0 HB3 SER A 930 -15.226 20.843 10.638 1.00 0.00 H new ATOM 0 HG SER A 930 -16.511 19.082 9.841 1.00 0.00 H new ATOM 706 N PRO A 931 -13.131 20.889 7.223 1.00 0.00 N ATOM 707 CA PRO A 931 -13.268 21.724 6.021 1.00 0.00 C ATOM 708 C PRO A 931 -14.707 21.768 5.517 1.00 0.00 C ATOM 709 O PRO A 931 -15.032 22.496 4.580 1.00 0.00 O ATOM 710 CB PRO A 931 -12.365 21.033 4.997 1.00 0.00 C ATOM 711 CG PRO A 931 -12.257 19.624 5.468 1.00 0.00 C ATOM 712 CD PRO A 931 -12.320 19.684 6.967 1.00 0.00 C ATOM 0 HA PRO A 931 -12.996 22.762 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 931 -12.793 21.083 3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 931 -11.386 21.509 4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 931 -13.067 19.015 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 931 -11.323 19.171 5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 931 -12.783 18.791 7.387 1.00 0.00 H new ATOM 0 HD3 PRO A 931 -11.327 19.766 7.409 1.00 0.00 H new ATOM 720 N ASN A 932 -15.559 20.973 6.151 1.00 0.00 N ATOM 721 CA ASN A 932 -16.973 20.926 5.823 1.00 0.00 C ATOM 722 C ASN A 932 -17.752 21.892 6.718 1.00 0.00 C ATOM 723 O ASN A 932 -18.946 22.120 6.524 1.00 0.00 O ATOM 724 CB ASN A 932 -17.495 19.495 6.004 1.00 0.00 C ATOM 725 CG ASN A 932 -18.928 19.322 5.538 1.00 0.00 C ATOM 726 OD1 ASN A 932 -19.371 19.972 4.594 1.00 0.00 O ATOM 727 ND2 ASN A 932 -19.661 18.438 6.196 1.00 0.00 N ATOM 0 H ASN A 932 -15.287 20.344 6.906 1.00 0.00 H new ATOM 0 HA ASN A 932 -17.112 21.227 4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 932 -16.854 18.808 5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 932 -17.425 19.219 7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 932 -20.631 18.276 5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 932 -19.256 17.918 6.975 1.00 0.00 H new ATOM 734 N GLY A 933 -17.065 22.475 7.695 1.00 0.00 N ATOM 735 CA GLY A 933 -17.731 23.352 8.635 1.00 0.00 C ATOM 736 C GLY A 933 -16.862 24.499 9.118 1.00 0.00 C ATOM 737 O GLY A 933 -17.123 25.658 8.791 1.00 0.00 O ATOM 0 H GLY A 933 -16.064 22.356 7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 933 -18.627 23.759 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 933 -18.058 22.768 9.495 1.00 0.00 H new ATOM 741 N GLN A 934 -15.810 24.174 9.864 1.00 0.00 N ATOM 742 CA GLN A 934 -15.025 25.179 10.577 1.00 0.00 C ATOM 743 C GLN A 934 -13.889 24.502 11.350 1.00 0.00 C ATOM 744 O GLN A 934 -13.848 23.272 11.453 1.00 0.00 O ATOM 745 CB GLN A 934 -15.948 25.954 11.539 1.00 0.00 C ATOM 746 CG GLN A 934 -15.297 27.123 12.268 1.00 0.00 C ATOM 747 CD GLN A 934 -14.738 28.168 11.324 1.00 0.00 C ATOM 748 OE1 GLN A 934 -13.575 28.095 10.920 1.00 0.00 O ATOM 749 NE2 GLN A 934 -15.558 29.146 10.972 1.00 0.00 N ATOM 0 H GLN A 934 -15.480 23.217 9.991 1.00 0.00 H new ATOM 0 HA GLN A 934 -14.586 25.877 9.864 1.00 0.00 H new ATOM 0 HB2 GLN A 934 -16.801 26.330 10.974 1.00 0.00 H new ATOM 0 HB3 GLN A 934 -16.339 25.257 12.281 1.00 0.00 H new ATOM 0 HG2 GLN A 934 -16.031 27.589 12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 934 -14.494 26.747 12.903 1.00 0.00 H new ATOM 0 HE21 GLN A 934 -16.512 29.165 11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 934 -15.235 29.880 10.341 1.00 0.00 H new ATOM 758 N THR A 935 -12.962 25.298 11.862 1.00 0.00 N ATOM 759 CA THR A 935 -11.901 24.782 12.709 1.00 0.00 C ATOM 760 C THR A 935 -12.202 25.109 14.173 1.00 0.00 C ATOM 761 O THR A 935 -12.411 26.270 14.525 1.00 0.00 O ATOM 762 CB THR A 935 -10.545 25.402 12.315 1.00 0.00 C ATOM 763 OG1 THR A 935 -10.360 25.306 10.894 1.00 0.00 O ATOM 764 CG2 THR A 935 -9.398 24.700 13.027 1.00 0.00 C ATOM 0 H THR A 935 -12.925 26.305 11.704 1.00 0.00 H new ATOM 0 HA THR A 935 -11.848 23.701 12.577 1.00 0.00 H new ATOM 0 HB THR A 935 -10.549 26.450 12.615 1.00 0.00 H new ATOM 0 HG1 THR A 935 -9.498 25.703 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 935 -8.453 25.156 12.732 1.00 0.00 H new ATOM 0 HG22 THR A 935 -9.526 24.796 14.105 1.00 0.00 H new ATOM 0 HG23 THR A 935 -9.392 23.645 12.755 1.00 0.00 H new ATOM 772 N THR A 936 -12.226 24.088 15.012 1.00 0.00 N ATOM 773 CA THR A 936 -12.502 24.260 16.430 1.00 0.00 C ATOM 774 C THR A 936 -11.328 23.780 17.277 1.00 0.00 C ATOM 775 O THR A 936 -10.836 22.668 17.090 1.00 0.00 O ATOM 776 CB THR A 936 -13.779 23.499 16.835 1.00 0.00 C ATOM 777 OG1 THR A 936 -14.871 23.921 16.010 1.00 0.00 O ATOM 778 CG2 THR A 936 -14.127 23.744 18.295 1.00 0.00 C ATOM 0 H THR A 936 -12.056 23.122 14.733 1.00 0.00 H new ATOM 0 HA THR A 936 -12.652 25.325 16.610 1.00 0.00 H new ATOM 0 HB THR A 936 -13.597 22.433 16.699 1.00 0.00 H new ATOM 0 HG1 THR A 936 -15.682 23.435 16.267 1.00 0.00 H new ATOM 0 HG21 THR A 936 -15.033 23.194 18.550 1.00 0.00 H new ATOM 0 HG22 THR A 936 -13.306 23.405 18.927 1.00 0.00 H new ATOM 0 HG23 THR A 936 -14.292 24.809 18.456 1.00 0.00 H new ATOM 786 N ARG A 937 -10.884 24.602 18.212 1.00 0.00 N ATOM 787 CA ARG A 937 -9.803 24.198 19.095 1.00 0.00 C ATOM 788 C ARG A 937 -10.364 23.695 20.419 1.00 0.00 C ATOM 789 O ARG A 937 -11.211 24.339 21.038 1.00 0.00 O ATOM 790 CB ARG A 937 -8.815 25.345 19.341 1.00 0.00 C ATOM 791 CG ARG A 937 -9.404 26.528 20.095 1.00 0.00 C ATOM 792 CD ARG A 937 -8.323 27.483 20.568 1.00 0.00 C ATOM 793 NE ARG A 937 -7.348 26.815 21.430 1.00 0.00 N ATOM 794 CZ ARG A 937 -6.301 27.419 21.983 1.00 0.00 C ATOM 795 NH1 ARG A 937 -6.093 28.719 21.788 1.00 0.00 N ATOM 796 NH2 ARG A 937 -5.465 26.714 22.733 1.00 0.00 N ATOM 0 H ARG A 937 -11.249 25.540 18.379 1.00 0.00 H new ATOM 0 HA ARG A 937 -9.260 23.390 18.605 1.00 0.00 H new ATOM 0 HB2 ARG A 937 -7.962 24.961 19.901 1.00 0.00 H new ATOM 0 HB3 ARG A 937 -8.435 25.694 18.381 1.00 0.00 H new ATOM 0 HG2 ARG A 937 -10.103 27.060 19.450 1.00 0.00 H new ATOM 0 HG3 ARG A 937 -9.972 26.167 20.952 1.00 0.00 H new ATOM 0 HD2 ARG A 937 -7.813 27.911 19.705 1.00 0.00 H new ATOM 0 HD3 ARG A 937 -8.781 28.311 21.110 1.00 0.00 H new ATOM 0 HE ARG A 937 -7.480 25.821 21.619 1.00 0.00 H new ATOM 0 HH11 ARG A 937 -6.739 29.258 21.211 1.00 0.00 H new ATOM 0 HH12 ARG A 937 -5.288 29.176 22.215 1.00 0.00 H new ATOM 0 HH21 ARG A 937 -5.629 25.718 22.881 1.00 0.00 H new ATOM 0 HH22 ARG A 937 -4.658 27.168 23.162 1.00 0.00 H new ATOM 810 N TYR A 938 -9.906 22.530 20.839 1.00 0.00 N ATOM 811 CA TYR A 938 -10.353 21.951 22.088 1.00 0.00 C ATOM 812 C TYR A 938 -9.245 21.979 23.130 1.00 0.00 C ATOM 813 O TYR A 938 -8.120 21.540 22.877 1.00 0.00 O ATOM 814 CB TYR A 938 -10.845 20.518 21.876 1.00 0.00 C ATOM 815 CG TYR A 938 -12.172 20.433 21.157 1.00 0.00 C ATOM 816 CD1 TYR A 938 -13.365 20.534 21.862 1.00 0.00 C ATOM 817 CD2 TYR A 938 -12.236 20.252 19.782 1.00 0.00 C ATOM 818 CE1 TYR A 938 -14.582 20.458 21.217 1.00 0.00 C ATOM 819 CE2 TYR A 938 -13.451 20.176 19.129 1.00 0.00 C ATOM 820 CZ TYR A 938 -14.620 20.278 19.853 1.00 0.00 C ATOM 821 OH TYR A 938 -15.834 20.203 19.210 1.00 0.00 O ATOM 0 H TYR A 938 -9.224 21.967 20.331 1.00 0.00 H new ATOM 0 HA TYR A 938 -11.184 22.553 22.456 1.00 0.00 H new ATOM 0 HB2 TYR A 938 -10.097 19.967 21.306 1.00 0.00 H new ATOM 0 HB3 TYR A 938 -10.934 20.026 22.845 1.00 0.00 H new ATOM 0 HD1 TYR A 938 -13.339 20.674 22.933 1.00 0.00 H new ATOM 0 HD2 TYR A 938 -11.321 20.169 19.214 1.00 0.00 H new ATOM 0 HE1 TYR A 938 -15.500 20.539 21.779 1.00 0.00 H new ATOM 0 HE2 TYR A 938 -13.485 20.038 18.058 1.00 0.00 H new ATOM 0 HH TYR A 938 -15.688 20.076 18.249 1.00 0.00 H new ATOM 831 N GLY A 939 -9.568 22.521 24.288 1.00 0.00 N ATOM 832 CA GLY A 939 -8.665 22.468 25.413 1.00 0.00 C ATOM 833 C GLY A 939 -9.073 21.366 26.359 1.00 0.00 C ATOM 834 O GLY A 939 -10.131 20.764 26.180 1.00 0.00 O ATOM 0 H GLY A 939 -10.449 23.002 24.471 1.00 0.00 H new ATOM 0 HA2 GLY A 939 -7.647 22.298 25.063 1.00 0.00 H new ATOM 0 HA3 GLY A 939 -8.667 23.425 25.935 1.00 0.00 H new ATOM 838 N GLU A 940 -8.258 21.089 27.365 1.00 0.00 N ATOM 839 CA GLU A 940 -8.569 20.022 28.305 1.00 0.00 C ATOM 840 C GLU A 940 -9.795 20.383 29.148 1.00 0.00 C ATOM 841 O GLU A 940 -10.431 19.509 29.745 1.00 0.00 O ATOM 842 CB GLU A 940 -7.370 19.713 29.205 1.00 0.00 C ATOM 843 CG GLU A 940 -7.498 18.380 29.925 1.00 0.00 C ATOM 844 CD GLU A 940 -6.289 18.049 30.770 1.00 0.00 C ATOM 845 OE1 GLU A 940 -5.248 17.668 30.204 1.00 0.00 O ATOM 846 OE2 GLU A 940 -6.375 18.174 32.008 1.00 0.00 O ATOM 0 H GLU A 940 -7.385 21.582 27.551 1.00 0.00 H new ATOM 0 HA GLU A 940 -8.798 19.126 27.729 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -6.462 19.709 28.603 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -7.260 20.509 29.942 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -8.384 18.399 30.559 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -7.649 17.589 29.190 1.00 0.00 H new ATOM 853 N ASN A 941 -10.133 21.671 29.185 1.00 0.00 N ATOM 854 CA ASN A 941 -11.303 22.132 29.928 1.00 0.00 C ATOM 855 C ASN A 941 -12.558 22.030 29.068 1.00 0.00 C ATOM 856 O ASN A 941 -13.649 22.408 29.495 1.00 0.00 O ATOM 857 CB ASN A 941 -11.127 23.576 30.414 1.00 0.00 C ATOM 858 CG ASN A 941 -10.066 23.718 31.490 1.00 0.00 C ATOM 859 OD1 ASN A 941 -9.062 23.002 31.497 1.00 0.00 O ATOM 860 ND2 ASN A 941 -10.282 24.638 32.417 1.00 0.00 N ATOM 0 H ASN A 941 -9.615 22.411 28.711 1.00 0.00 H new ATOM 0 HA ASN A 941 -11.410 21.487 30.800 1.00 0.00 H new ATOM 0 HB2 ASN A 941 -10.863 24.208 29.566 1.00 0.00 H new ATOM 0 HB3 ASN A 941 -12.079 23.941 30.800 1.00 0.00 H new ATOM 0 HD21 ASN A 941 -9.606 24.773 33.169 1.00 0.00 H new ATOM 0 HD22 ASN A 941 -11.124 25.212 32.379 1.00 0.00 H new ATOM 867 N GLU A 942 -12.398 21.516 27.856 1.00 0.00 N ATOM 868 CA GLU A 942 -13.526 21.272 26.972 1.00 0.00 C ATOM 869 C GLU A 942 -13.962 19.821 27.104 1.00 0.00 C ATOM 870 O GLU A 942 -13.129 18.932 27.305 1.00 0.00 O ATOM 871 CB GLU A 942 -13.152 21.567 25.514 1.00 0.00 C ATOM 872 CG GLU A 942 -12.661 22.985 25.269 1.00 0.00 C ATOM 873 CD GLU A 942 -13.726 24.028 25.525 1.00 0.00 C ATOM 874 OE1 GLU A 942 -14.561 24.262 24.625 1.00 0.00 O ATOM 875 OE2 GLU A 942 -13.721 24.632 26.615 1.00 0.00 O ATOM 0 H GLU A 942 -11.493 21.259 27.463 1.00 0.00 H new ATOM 0 HA GLU A 942 -14.343 21.934 27.257 1.00 0.00 H new ATOM 0 HB2 GLU A 942 -12.377 20.867 25.201 1.00 0.00 H new ATOM 0 HB3 GLU A 942 -14.022 21.382 24.883 1.00 0.00 H new ATOM 0 HG2 GLU A 942 -11.803 23.183 25.912 1.00 0.00 H new ATOM 0 HG3 GLU A 942 -12.315 23.072 24.239 1.00 0.00 H new ATOM 882 N LYS A 943 -15.259 19.578 27.021 1.00 0.00 N ATOM 883 CA LYS A 943 -15.766 18.218 27.076 1.00 0.00 C ATOM 884 C LYS A 943 -15.981 17.674 25.674 1.00 0.00 C ATOM 885 O LYS A 943 -16.667 18.288 24.855 1.00 0.00 O ATOM 886 CB LYS A 943 -17.073 18.136 27.864 1.00 0.00 C ATOM 887 CG LYS A 943 -16.943 18.558 29.317 1.00 0.00 C ATOM 888 CD LYS A 943 -18.132 18.083 30.136 1.00 0.00 C ATOM 889 CE LYS A 943 -18.094 16.574 30.348 1.00 0.00 C ATOM 890 NZ LYS A 943 -19.333 16.070 30.996 1.00 0.00 N ATOM 0 H LYS A 943 -15.974 20.298 26.916 1.00 0.00 H new ATOM 0 HA LYS A 943 -15.019 17.613 27.590 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -17.819 18.765 27.378 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -17.446 17.112 27.825 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -16.023 18.150 29.736 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -16.867 19.644 29.378 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -18.135 18.588 31.102 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -19.057 18.358 29.630 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -17.959 16.077 29.388 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -17.232 16.316 30.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -19.265 15.040 31.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -19.449 16.525 31.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -20.153 16.292 30.397 1.00 0.00 H new ATOM 904 N LEU A 944 -15.382 16.530 25.396 1.00 0.00 N ATOM 905 CA LEU A 944 -15.556 15.881 24.109 1.00 0.00 C ATOM 906 C LEU A 944 -16.794 14.997 24.150 1.00 0.00 C ATOM 907 O LEU A 944 -16.988 14.245 25.105 1.00 0.00 O ATOM 908 CB LEU A 944 -14.324 15.041 23.734 1.00 0.00 C ATOM 909 CG LEU A 944 -13.021 15.817 23.483 1.00 0.00 C ATOM 910 CD1 LEU A 944 -13.272 17.021 22.587 1.00 0.00 C ATOM 911 CD2 LEU A 944 -12.372 16.247 24.791 1.00 0.00 C ATOM 0 H LEU A 944 -14.771 16.032 26.043 1.00 0.00 H new ATOM 0 HA LEU A 944 -15.678 16.653 23.349 1.00 0.00 H new ATOM 0 HB2 LEU A 944 -14.145 14.321 24.533 1.00 0.00 H new ATOM 0 HB3 LEU A 944 -14.560 14.469 22.836 1.00 0.00 H new ATOM 0 HG LEU A 944 -12.330 15.147 22.972 1.00 0.00 H new ATOM 0 HD11 LEU A 944 -12.336 17.554 22.424 1.00 0.00 H new ATOM 0 HD12 LEU A 944 -13.670 16.685 21.630 1.00 0.00 H new ATOM 0 HD13 LEU A 944 -13.990 17.687 23.065 1.00 0.00 H new ATOM 0 HD21 LEU A 944 -11.453 16.793 24.579 1.00 0.00 H new ATOM 0 HD22 LEU A 944 -13.057 16.890 25.343 1.00 0.00 H new ATOM 0 HD23 LEU A 944 -12.140 15.366 25.389 1.00 0.00 H new ATOM 923 N PRO A 945 -17.648 15.080 23.119 1.00 0.00 N ATOM 924 CA PRO A 945 -18.883 14.293 23.051 1.00 0.00 C ATOM 925 C PRO A 945 -18.610 12.794 23.095 1.00 0.00 C ATOM 926 O PRO A 945 -18.974 12.117 24.059 1.00 0.00 O ATOM 927 CB PRO A 945 -19.499 14.692 21.708 1.00 0.00 C ATOM 928 CG PRO A 945 -18.877 16.004 21.373 1.00 0.00 C ATOM 929 CD PRO A 945 -17.493 15.965 21.954 1.00 0.00 C ATOM 0 HA PRO A 945 -19.538 14.490 23.900 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -19.288 13.948 20.940 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -20.583 14.776 21.781 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -18.843 16.156 20.294 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -19.454 16.828 21.793 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -16.767 15.572 21.242 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -17.149 16.958 22.244 1.00 0.00 H new ATOM 937 N ASP A 946 -17.958 12.278 22.058 1.00 0.00 N ATOM 938 CA ASP A 946 -17.594 10.867 22.027 1.00 0.00 C ATOM 939 C ASP A 946 -16.529 10.584 20.978 1.00 0.00 C ATOM 940 O ASP A 946 -15.405 10.216 21.313 1.00 0.00 O ATOM 941 CB ASP A 946 -18.814 9.986 21.758 1.00 0.00 C ATOM 942 CG ASP A 946 -18.458 8.514 21.777 1.00 0.00 C ATOM 943 OD1 ASP A 946 -18.133 7.997 22.868 1.00 0.00 O ATOM 944 OD2 ASP A 946 -18.479 7.876 20.705 1.00 0.00 O ATOM 0 H ASP A 946 -17.673 12.810 21.236 1.00 0.00 H new ATOM 0 HA ASP A 946 -17.189 10.627 23.010 1.00 0.00 H new ATOM 0 HB2 ASP A 946 -19.579 10.185 22.509 1.00 0.00 H new ATOM 0 HB3 ASP A 946 -19.243 10.244 20.790 1.00 0.00 H new ATOM 949 N TYR A 947 -16.877 10.789 19.710 1.00 0.00 N ATOM 950 CA TYR A 947 -16.013 10.388 18.601 1.00 0.00 C ATOM 951 C TYR A 947 -14.653 11.078 18.664 1.00 0.00 C ATOM 952 O TYR A 947 -13.644 10.500 18.268 1.00 0.00 O ATOM 953 CB TYR A 947 -16.683 10.702 17.260 1.00 0.00 C ATOM 954 CG TYR A 947 -18.024 10.029 17.063 1.00 0.00 C ATOM 955 CD1 TYR A 947 -18.106 8.695 16.682 1.00 0.00 C ATOM 956 CD2 TYR A 947 -19.210 10.730 17.251 1.00 0.00 C ATOM 957 CE1 TYR A 947 -19.329 8.080 16.492 1.00 0.00 C ATOM 958 CE2 TYR A 947 -20.437 10.122 17.062 1.00 0.00 C ATOM 959 CZ TYR A 947 -20.491 8.797 16.683 1.00 0.00 C ATOM 960 OH TYR A 947 -21.711 8.186 16.496 1.00 0.00 O ATOM 0 H TYR A 947 -17.751 11.230 19.424 1.00 0.00 H new ATOM 0 HA TYR A 947 -15.854 9.313 18.688 1.00 0.00 H new ATOM 0 HB2 TYR A 947 -16.815 11.781 17.176 1.00 0.00 H new ATOM 0 HB3 TYR A 947 -16.015 10.399 16.453 1.00 0.00 H new ATOM 0 HD1 TYR A 947 -17.198 8.129 16.532 1.00 0.00 H new ATOM 0 HD2 TYR A 947 -19.172 11.767 17.550 1.00 0.00 H new ATOM 0 HE1 TYR A 947 -19.374 7.043 16.195 1.00 0.00 H new ATOM 0 HE2 TYR A 947 -21.349 10.682 17.210 1.00 0.00 H new ATOM 0 HH TYR A 947 -22.429 8.829 16.672 1.00 0.00 H new ATOM 970 N ILE A 948 -14.621 12.303 19.179 1.00 0.00 N ATOM 971 CA ILE A 948 -13.363 13.027 19.308 1.00 0.00 C ATOM 972 C ILE A 948 -12.486 12.383 20.380 1.00 0.00 C ATOM 973 O ILE A 948 -11.290 12.188 20.185 1.00 0.00 O ATOM 974 CB ILE A 948 -13.594 14.513 19.653 1.00 0.00 C ATOM 975 CG1 ILE A 948 -14.569 15.143 18.653 1.00 0.00 C ATOM 976 CG2 ILE A 948 -12.270 15.268 19.657 1.00 0.00 C ATOM 977 CD1 ILE A 948 -14.923 16.583 18.966 1.00 0.00 C ATOM 0 H ILE A 948 -15.442 12.810 19.510 1.00 0.00 H new ATOM 0 HA ILE A 948 -12.857 12.976 18.344 1.00 0.00 H new ATOM 0 HB ILE A 948 -14.030 14.578 20.650 1.00 0.00 H new ATOM 0 HG12 ILE A 948 -14.133 15.095 17.655 1.00 0.00 H new ATOM 0 HG13 ILE A 948 -15.484 14.551 18.630 1.00 0.00 H new ATOM 0 HG21 ILE A 948 -12.449 16.315 19.902 1.00 0.00 H new ATOM 0 HG22 ILE A 948 -11.604 14.830 20.400 1.00 0.00 H new ATOM 0 HG23 ILE A 948 -11.809 15.200 18.672 1.00 0.00 H new ATOM 0 HD11 ILE A 948 -15.617 16.959 18.214 1.00 0.00 H new ATOM 0 HD12 ILE A 948 -15.390 16.637 19.950 1.00 0.00 H new ATOM 0 HD13 ILE A 948 -14.018 17.190 18.960 1.00 0.00 H new ATOM 989 N LYS A 949 -13.104 12.031 21.502 1.00 0.00 N ATOM 990 CA LYS A 949 -12.413 11.358 22.593 1.00 0.00 C ATOM 991 C LYS A 949 -11.930 9.987 22.133 1.00 0.00 C ATOM 992 O LYS A 949 -10.803 9.586 22.422 1.00 0.00 O ATOM 993 CB LYS A 949 -13.356 11.247 23.804 1.00 0.00 C ATOM 994 CG LYS A 949 -12.723 10.687 25.076 1.00 0.00 C ATOM 995 CD LYS A 949 -12.695 9.165 25.087 1.00 0.00 C ATOM 996 CE LYS A 949 -12.374 8.619 26.470 1.00 0.00 C ATOM 997 NZ LYS A 949 -10.983 8.926 26.902 1.00 0.00 N ATOM 0 H LYS A 949 -14.094 12.204 21.679 1.00 0.00 H new ATOM 0 HA LYS A 949 -11.539 11.936 22.893 1.00 0.00 H new ATOM 0 HB2 LYS A 949 -13.757 12.237 24.023 1.00 0.00 H new ATOM 0 HB3 LYS A 949 -14.200 10.615 23.529 1.00 0.00 H new ATOM 0 HG2 LYS A 949 -11.706 11.067 25.171 1.00 0.00 H new ATOM 0 HG3 LYS A 949 -13.279 11.044 25.943 1.00 0.00 H new ATOM 0 HD2 LYS A 949 -13.661 8.781 24.759 1.00 0.00 H new ATOM 0 HD3 LYS A 949 -11.952 8.809 24.374 1.00 0.00 H new ATOM 0 HE2 LYS A 949 -13.075 9.037 27.193 1.00 0.00 H new ATOM 0 HE3 LYS A 949 -12.520 7.539 26.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 949 -10.824 8.546 27.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 949 -10.310 8.491 26.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 949 -10.842 9.956 26.912 1.00 0.00 H new ATOM 1011 N GLN A 950 -12.790 9.283 21.404 1.00 0.00 N ATOM 1012 CA GLN A 950 -12.449 7.969 20.868 1.00 0.00 C ATOM 1013 C GLN A 950 -11.245 8.074 19.946 1.00 0.00 C ATOM 1014 O GLN A 950 -10.321 7.260 20.006 1.00 0.00 O ATOM 1015 CB GLN A 950 -13.627 7.389 20.083 1.00 0.00 C ATOM 1016 CG GLN A 950 -14.850 7.058 20.923 1.00 0.00 C ATOM 1017 CD GLN A 950 -14.596 5.949 21.922 1.00 0.00 C ATOM 1018 OE1 GLN A 950 -14.701 4.770 21.588 1.00 0.00 O ATOM 1019 NE2 GLN A 950 -14.322 6.313 23.163 1.00 0.00 N ATOM 0 H GLN A 950 -13.731 9.601 21.170 1.00 0.00 H new ATOM 0 HA GLN A 950 -12.213 7.312 21.705 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -13.916 8.101 19.310 1.00 0.00 H new ATOM 0 HB3 GLN A 950 -13.296 6.483 19.575 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -15.172 7.953 21.455 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -15.669 6.767 20.265 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -14.243 7.302 23.399 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -14.189 5.605 23.885 1.00 0.00 H new ATOM 1028 N LYS A 951 -11.264 9.096 19.104 1.00 0.00 N ATOM 1029 CA LYS A 951 -10.207 9.319 18.137 1.00 0.00 C ATOM 1030 C LYS A 951 -8.919 9.706 18.845 1.00 0.00 C ATOM 1031 O LYS A 951 -7.838 9.220 18.515 1.00 0.00 O ATOM 1032 CB LYS A 951 -10.625 10.422 17.165 1.00 0.00 C ATOM 1033 CG LYS A 951 -9.619 10.675 16.063 1.00 0.00 C ATOM 1034 CD LYS A 951 -9.415 9.439 15.207 1.00 0.00 C ATOM 1035 CE LYS A 951 -8.405 9.697 14.113 1.00 0.00 C ATOM 1036 NZ LYS A 951 -8.828 10.812 13.226 1.00 0.00 N ATOM 0 H LYS A 951 -12.011 9.790 19.074 1.00 0.00 H new ATOM 0 HA LYS A 951 -10.033 8.398 17.581 1.00 0.00 H new ATOM 0 HB2 LYS A 951 -11.582 10.156 16.717 1.00 0.00 H new ATOM 0 HB3 LYS A 951 -10.780 11.346 17.722 1.00 0.00 H new ATOM 0 HG2 LYS A 951 -9.961 11.500 15.438 1.00 0.00 H new ATOM 0 HG3 LYS A 951 -8.667 10.979 16.499 1.00 0.00 H new ATOM 0 HD2 LYS A 951 -9.077 8.612 15.831 1.00 0.00 H new ATOM 0 HD3 LYS A 951 -10.365 9.137 14.766 1.00 0.00 H new ATOM 0 HE2 LYS A 951 -7.438 9.933 14.558 1.00 0.00 H new ATOM 0 HE3 LYS A 951 -8.271 8.792 13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 951 -8.183 10.872 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 951 -9.796 10.639 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 951 -8.801 11.707 13.756 1.00 0.00 H new ATOM 1050 N LEU A 952 -9.062 10.579 19.826 1.00 0.00 N ATOM 1051 CA LEU A 952 -7.936 11.106 20.576 1.00 0.00 C ATOM 1052 C LEU A 952 -7.237 9.998 21.358 1.00 0.00 C ATOM 1053 O LEU A 952 -6.012 9.974 21.467 1.00 0.00 O ATOM 1054 CB LEU A 952 -8.448 12.181 21.533 1.00 0.00 C ATOM 1055 CG LEU A 952 -7.393 13.101 22.133 1.00 0.00 C ATOM 1056 CD1 LEU A 952 -6.712 13.902 21.038 1.00 0.00 C ATOM 1057 CD2 LEU A 952 -8.040 14.021 23.154 1.00 0.00 C ATOM 0 H LEU A 952 -9.966 10.944 20.126 1.00 0.00 H new ATOM 0 HA LEU A 952 -7.211 11.534 19.884 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -9.176 12.794 21.002 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -8.979 11.690 22.349 1.00 0.00 H new ATOM 0 HG LEU A 952 -6.634 12.501 22.635 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -5.960 14.556 21.480 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -6.233 13.222 20.334 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -7.453 14.504 20.513 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -7.283 14.679 23.582 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -8.809 14.621 22.667 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -8.493 13.424 23.946 1.00 0.00 H new ATOM 1069 N GLN A 953 -8.028 9.075 21.888 1.00 0.00 N ATOM 1070 CA GLN A 953 -7.497 7.985 22.691 1.00 0.00 C ATOM 1071 C GLN A 953 -6.725 6.983 21.831 1.00 0.00 C ATOM 1072 O GLN A 953 -5.889 6.236 22.338 1.00 0.00 O ATOM 1073 CB GLN A 953 -8.621 7.298 23.466 1.00 0.00 C ATOM 1074 CG GLN A 953 -8.120 6.334 24.527 1.00 0.00 C ATOM 1075 CD GLN A 953 -9.114 6.151 25.653 1.00 0.00 C ATOM 1076 OE1 GLN A 953 -10.324 6.259 25.455 1.00 0.00 O ATOM 1077 NE2 GLN A 953 -8.607 5.894 26.845 1.00 0.00 N ATOM 0 H GLN A 953 -9.042 9.061 21.775 1.00 0.00 H new ATOM 0 HA GLN A 953 -6.793 8.405 23.409 1.00 0.00 H new ATOM 0 HB2 GLN A 953 -9.242 8.058 23.940 1.00 0.00 H new ATOM 0 HB3 GLN A 953 -9.257 6.757 22.766 1.00 0.00 H new ATOM 0 HG2 GLN A 953 -7.913 5.367 24.068 1.00 0.00 H new ATOM 0 HG3 GLN A 953 -7.178 6.702 24.933 1.00 0.00 H new ATOM 0 HE21 GLN A 953 -7.597 5.813 26.963 1.00 0.00 H new ATOM 0 HE22 GLN A 953 -9.225 5.777 27.648 1.00 0.00 H new ATOM 1086 N CYS A 954 -6.998 6.968 20.530 1.00 0.00 N ATOM 1087 CA CYS A 954 -6.278 6.086 19.614 1.00 0.00 C ATOM 1088 C CYS A 954 -4.795 6.460 19.556 1.00 0.00 C ATOM 1089 O CYS A 954 -3.946 5.633 19.227 1.00 0.00 O ATOM 1090 CB CYS A 954 -6.892 6.148 18.212 1.00 0.00 C ATOM 1091 SG CYS A 954 -8.625 5.633 18.135 1.00 0.00 S ATOM 0 H CYS A 954 -7.707 7.552 20.087 1.00 0.00 H new ATOM 0 HA CYS A 954 -6.365 5.066 19.989 1.00 0.00 H new ATOM 0 HB2 CYS A 954 -6.811 7.168 17.838 1.00 0.00 H new ATOM 0 HB3 CYS A 954 -6.307 5.516 17.544 1.00 0.00 H new ATOM 0 HG CYS A 954 -9.298 6.232 19.072 1.00 0.00 H new ATOM 1097 N LEU A 955 -4.491 7.710 19.902 1.00 0.00 N ATOM 1098 CA LEU A 955 -3.116 8.208 19.903 1.00 0.00 C ATOM 1099 C LEU A 955 -2.288 7.587 21.031 1.00 0.00 C ATOM 1100 O LEU A 955 -1.060 7.702 21.036 1.00 0.00 O ATOM 1101 CB LEU A 955 -3.086 9.739 20.016 1.00 0.00 C ATOM 1102 CG LEU A 955 -3.349 10.514 18.717 1.00 0.00 C ATOM 1103 CD1 LEU A 955 -4.770 10.298 18.221 1.00 0.00 C ATOM 1104 CD2 LEU A 955 -3.078 11.995 18.924 1.00 0.00 C ATOM 0 H LEU A 955 -5.185 8.401 20.187 1.00 0.00 H new ATOM 0 HA LEU A 955 -2.670 7.914 18.953 1.00 0.00 H new ATOM 0 HB2 LEU A 955 -3.828 10.044 20.754 1.00 0.00 H new ATOM 0 HB3 LEU A 955 -2.111 10.036 20.402 1.00 0.00 H new ATOM 0 HG LEU A 955 -2.669 10.133 17.955 1.00 0.00 H new ATOM 0 HD11 LEU A 955 -4.923 10.860 17.300 1.00 0.00 H new ATOM 0 HD12 LEU A 955 -4.931 9.237 18.030 1.00 0.00 H new ATOM 0 HD13 LEU A 955 -5.476 10.641 18.978 1.00 0.00 H new ATOM 0 HD21 LEU A 955 -3.268 12.533 17.995 1.00 0.00 H new ATOM 0 HD22 LEU A 955 -3.733 12.379 19.706 1.00 0.00 H new ATOM 0 HD23 LEU A 955 -2.038 12.137 19.219 1.00 0.00 H new