USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 711 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 988 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 998 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0657) USER MOD Single : A 912 SER OG : rot 31:sc= 0.807 USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 915 SER OG : rot 180:sc= 0 USER MOD Single : A 916 SER OG : rot 8:sc= 0.226! USER MOD Single : A 919 SER OG : rot 180:sc= 0 USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ 157:sc= -0.0891 (180deg=-0.426) USER MOD Single : A 926 THR OG1 : rot -100:sc= -0.771 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 932 ASN :FLIP amide:sc= -0.617 F(o=-1.2!,f=-0.62) USER MOD Single : A 933 MET CE :methyl -130:sc= -1.39 (180deg=-1.58) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 16:sc= 0.462 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 165:sc= -0.0898 USER MOD Single : A 950 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 955 SER OG : rot -80:sc= -1.98 USER MOD Single : A 957 CYS SG : rot 70:sc= 0.0244 USER MOD Single : A 959 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.467) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN : amide:sc= -2.3! C(o=-2.3!,f=-16!) USER MOD Single : A 963 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 967 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 MET CE :methyl 171:sc= -0.811 (180deg=-1.06) USER MOD Single : A 976 SER OG : rot -155:sc= 1.19 USER MOD Single : A 981 THR OG1 : rot 180:sc= 0.00259 USER MOD Single : A 994 SER OG : rot 180:sc= 0 USER MOD Single : A 996 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1003 SER OG : rot -58:sc= 0.224 USER MOD Single : A1006 SER OG : rot 180:sc= 0 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 911 -16.875 -4.732 -5.054 1.00 0.00 N ATOM 2 CA GLY A 911 -17.087 -3.417 -4.479 1.00 0.00 C ATOM 3 C GLY A 911 -17.475 -3.481 -3.015 1.00 0.00 C ATOM 4 O GLY A 911 -18.439 -2.842 -2.592 1.00 0.00 O ATOM 0 HA2 GLY A 911 -16.177 -2.826 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 911 -17.869 -2.901 -5.037 1.00 0.00 H new ATOM 8 N SER A 912 -16.724 -4.255 -2.238 1.00 0.00 N ATOM 9 CA SER A 912 -16.997 -4.405 -0.814 1.00 0.00 C ATOM 10 C SER A 912 -15.935 -3.696 0.021 1.00 0.00 C ATOM 11 O SER A 912 -14.754 -4.040 -0.037 1.00 0.00 O ATOM 12 CB SER A 912 -17.055 -5.886 -0.436 1.00 0.00 C ATOM 13 OG SER A 912 -15.775 -6.487 -0.535 1.00 0.00 O ATOM 0 H SER A 912 -15.921 -4.788 -2.571 1.00 0.00 H new ATOM 0 HA SER A 912 -17.964 -3.947 -0.605 1.00 0.00 H new ATOM 0 HB2 SER A 912 -17.432 -5.991 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 912 -17.756 -6.405 -1.090 1.00 0.00 H new ATOM 0 HG SER A 912 -15.085 -5.822 -0.329 1.00 0.00 H new ATOM 19 N SER A 913 -16.363 -2.706 0.796 1.00 0.00 N ATOM 20 CA SER A 913 -15.449 -1.945 1.640 1.00 0.00 C ATOM 21 C SER A 913 -14.484 -2.875 2.371 1.00 0.00 C ATOM 22 O SER A 913 -13.272 -2.664 2.358 1.00 0.00 O ATOM 23 CB SER A 913 -16.233 -1.108 2.652 1.00 0.00 C ATOM 24 OG SER A 913 -15.363 -0.485 3.582 1.00 0.00 O ATOM 0 H SER A 913 -17.338 -2.411 0.857 1.00 0.00 H new ATOM 0 HA SER A 913 -14.871 -1.279 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 913 -16.814 -0.349 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 913 -16.942 -1.743 3.182 1.00 0.00 H new ATOM 0 HG SER A 913 -15.888 0.045 4.217 1.00 0.00 H new ATOM 30 N GLY A 914 -15.033 -3.905 3.009 1.00 0.00 N ATOM 31 CA GLY A 914 -14.208 -4.851 3.736 1.00 0.00 C ATOM 32 C GLY A 914 -13.260 -4.170 4.703 1.00 0.00 C ATOM 33 O GLY A 914 -12.041 -4.277 4.566 1.00 0.00 O ATOM 0 H GLY A 914 -16.034 -4.100 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 914 -14.849 -5.540 4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 914 -13.633 -5.447 3.027 1.00 0.00 H new ATOM 37 N SER A 915 -13.819 -3.467 5.683 1.00 0.00 N ATOM 38 CA SER A 915 -13.014 -2.761 6.673 1.00 0.00 C ATOM 39 C SER A 915 -13.273 -3.309 8.073 1.00 0.00 C ATOM 40 O SER A 915 -14.318 -3.904 8.336 1.00 0.00 O ATOM 41 CB SER A 915 -13.320 -1.263 6.635 1.00 0.00 C ATOM 42 OG SER A 915 -12.365 -0.529 7.382 1.00 0.00 O ATOM 0 H SER A 915 -14.826 -3.371 5.813 1.00 0.00 H new ATOM 0 HA SER A 915 -11.963 -2.916 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 915 -13.324 -0.915 5.602 1.00 0.00 H new ATOM 0 HB3 SER A 915 -14.317 -1.082 7.036 1.00 0.00 H new ATOM 0 HG SER A 915 -12.581 0.426 7.341 1.00 0.00 H new ATOM 48 N SER A 916 -12.312 -3.104 8.968 1.00 0.00 N ATOM 49 CA SER A 916 -12.432 -3.581 10.341 1.00 0.00 C ATOM 50 C SER A 916 -11.446 -2.859 11.255 1.00 0.00 C ATOM 51 O SER A 916 -10.254 -2.783 10.964 1.00 0.00 O ATOM 52 CB SER A 916 -12.191 -5.090 10.403 1.00 0.00 C ATOM 53 OG SER A 916 -10.808 -5.389 10.320 1.00 0.00 O ATOM 0 H SER A 916 -11.442 -2.611 8.767 1.00 0.00 H new ATOM 0 HA SER A 916 -13.444 -3.368 10.686 1.00 0.00 H new ATOM 0 HB2 SER A 916 -12.597 -5.489 11.333 1.00 0.00 H new ATOM 0 HB3 SER A 916 -12.722 -5.580 9.587 1.00 0.00 H new ATOM 0 HG SER A 916 -10.290 -4.559 10.372 1.00 0.00 H new ATOM 59 N GLY A 917 -11.955 -2.329 12.364 1.00 0.00 N ATOM 60 CA GLY A 917 -11.107 -1.620 13.304 1.00 0.00 C ATOM 61 C GLY A 917 -11.304 -2.091 14.731 1.00 0.00 C ATOM 62 O GLY A 917 -12.424 -2.104 15.239 1.00 0.00 O ATOM 0 H GLY A 917 -12.939 -2.378 12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 917 -10.063 -1.755 13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 917 -11.317 -0.552 13.245 1.00 0.00 H new ATOM 66 N ALA A 918 -10.211 -2.481 15.379 1.00 0.00 N ATOM 67 CA ALA A 918 -10.268 -2.956 16.756 1.00 0.00 C ATOM 68 C ALA A 918 -10.296 -1.789 17.738 1.00 0.00 C ATOM 69 O ALA A 918 -11.244 -1.636 18.509 1.00 0.00 O ATOM 70 CB ALA A 918 -9.085 -3.866 17.051 1.00 0.00 C ATOM 0 H ALA A 918 -9.276 -2.477 14.972 1.00 0.00 H new ATOM 0 HA ALA A 918 -11.190 -3.525 16.879 1.00 0.00 H new ATOM 0 HB1 ALA A 918 -9.141 -4.213 18.083 1.00 0.00 H new ATOM 0 HB2 ALA A 918 -9.109 -4.723 16.378 1.00 0.00 H new ATOM 0 HB3 ALA A 918 -8.156 -3.315 16.904 1.00 0.00 H new ATOM 76 N SER A 919 -9.251 -0.968 17.705 1.00 0.00 N ATOM 77 CA SER A 919 -9.155 0.183 18.595 1.00 0.00 C ATOM 78 C SER A 919 -9.513 1.470 17.859 1.00 0.00 C ATOM 79 O SER A 919 -9.088 1.689 16.725 1.00 0.00 O ATOM 80 CB SER A 919 -7.743 0.289 19.174 1.00 0.00 C ATOM 81 OG SER A 919 -7.762 0.887 20.459 1.00 0.00 O ATOM 0 H SER A 919 -8.459 -1.079 17.072 1.00 0.00 H new ATOM 0 HA SER A 919 -9.865 0.042 19.410 1.00 0.00 H new ATOM 0 HB2 SER A 919 -7.297 -0.704 19.238 1.00 0.00 H new ATOM 0 HB3 SER A 919 -7.115 0.878 18.505 1.00 0.00 H new ATOM 0 HG SER A 919 -6.848 0.942 20.808 1.00 0.00 H new ATOM 87 N SER A 920 -10.299 2.320 18.514 1.00 0.00 N ATOM 88 CA SER A 920 -10.719 3.584 17.922 1.00 0.00 C ATOM 89 C SER A 920 -9.521 4.349 17.368 1.00 0.00 C ATOM 90 O SER A 920 -8.430 4.312 17.935 1.00 0.00 O ATOM 91 CB SER A 920 -11.449 4.440 18.959 1.00 0.00 C ATOM 92 OG SER A 920 -12.327 5.360 18.334 1.00 0.00 O ATOM 0 H SER A 920 -10.657 2.155 19.455 1.00 0.00 H new ATOM 0 HA SER A 920 -11.399 3.363 17.100 1.00 0.00 H new ATOM 0 HB2 SER A 920 -12.012 3.796 19.635 1.00 0.00 H new ATOM 0 HB3 SER A 920 -10.722 4.981 19.565 1.00 0.00 H new ATOM 0 HG SER A 920 -12.783 5.894 19.018 1.00 0.00 H new ATOM 98 N GLY A 921 -9.733 5.043 16.254 1.00 0.00 N ATOM 99 CA GLY A 921 -8.663 5.807 15.640 1.00 0.00 C ATOM 100 C GLY A 921 -9.066 7.239 15.347 1.00 0.00 C ATOM 101 O GLY A 921 -10.226 7.614 15.524 1.00 0.00 O ATOM 0 H GLY A 921 -10.627 5.090 15.766 1.00 0.00 H new ATOM 0 HA2 GLY A 921 -7.795 5.805 16.299 1.00 0.00 H new ATOM 0 HA3 GLY A 921 -8.360 5.321 14.712 1.00 0.00 H new ATOM 105 N LYS A 922 -8.107 8.043 14.900 1.00 0.00 N ATOM 106 CA LYS A 922 -8.367 9.442 14.583 1.00 0.00 C ATOM 107 C LYS A 922 -8.052 9.735 13.119 1.00 0.00 C ATOM 108 O LYS A 922 -7.107 9.196 12.543 1.00 0.00 O ATOM 109 CB LYS A 922 -7.536 10.354 15.487 1.00 0.00 C ATOM 110 CG LYS A 922 -8.219 10.694 16.801 1.00 0.00 C ATOM 111 CD LYS A 922 -7.920 9.655 17.869 1.00 0.00 C ATOM 112 CE LYS A 922 -6.593 9.931 18.559 1.00 0.00 C ATOM 113 NZ LYS A 922 -6.639 11.178 19.372 1.00 0.00 N ATOM 0 H LYS A 922 -7.142 7.749 14.749 1.00 0.00 H new ATOM 0 HA LYS A 922 -9.425 9.637 14.755 1.00 0.00 H new ATOM 0 HB2 LYS A 922 -6.582 9.871 15.697 1.00 0.00 H new ATOM 0 HB3 LYS A 922 -7.315 11.278 14.952 1.00 0.00 H new ATOM 0 HG2 LYS A 922 -7.886 11.674 17.142 1.00 0.00 H new ATOM 0 HG3 LYS A 922 -9.296 10.759 16.646 1.00 0.00 H new ATOM 0 HD2 LYS A 922 -8.721 9.650 18.608 1.00 0.00 H new ATOM 0 HD3 LYS A 922 -7.897 8.663 17.417 1.00 0.00 H new ATOM 0 HE2 LYS A 922 -6.335 9.088 19.201 1.00 0.00 H new ATOM 0 HE3 LYS A 922 -5.805 10.014 17.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 -5.906 11.139 20.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 -6.469 12.000 18.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 -7.574 11.267 19.818 1.00 0.00 H new ATOM 127 N PRO A 923 -8.860 10.610 12.503 1.00 0.00 N ATOM 128 CA PRO A 923 -8.685 10.996 11.100 1.00 0.00 C ATOM 129 C PRO A 923 -7.438 11.846 10.883 1.00 0.00 C ATOM 130 O PRO A 923 -7.227 12.844 11.571 1.00 0.00 O ATOM 131 CB PRO A 923 -9.946 11.810 10.796 1.00 0.00 C ATOM 132 CG PRO A 923 -10.382 12.340 12.118 1.00 0.00 C ATOM 133 CD PRO A 923 -10.006 11.291 13.129 1.00 0.00 C ATOM 0 HA PRO A 923 -8.554 10.129 10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 923 -9.736 12.618 10.095 1.00 0.00 H new ATOM 0 HB3 PRO A 923 -10.719 11.189 10.344 1.00 0.00 H new ATOM 0 HG2 PRO A 923 -9.892 13.288 12.339 1.00 0.00 H new ATOM 0 HG3 PRO A 923 -11.456 12.526 12.129 1.00 0.00 H new ATOM 0 HD2 PRO A 923 -9.735 11.735 14.087 1.00 0.00 H new ATOM 0 HD3 PRO A 923 -10.829 10.602 13.318 1.00 0.00 H new ATOM 141 N GLY A 924 -6.612 11.443 9.921 1.00 0.00 N ATOM 142 CA GLY A 924 -5.395 12.179 9.632 1.00 0.00 C ATOM 143 C GLY A 924 -5.127 12.292 8.144 1.00 0.00 C ATOM 144 O GLY A 924 -5.994 12.021 7.313 1.00 0.00 O ATOM 0 H GLY A 924 -6.764 10.620 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 924 -5.467 13.178 10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 924 -4.552 11.684 10.114 1.00 0.00 H new ATOM 148 N PRO A 925 -3.901 12.705 7.790 1.00 0.00 N ATOM 149 CA PRO A 925 -3.493 12.865 6.391 1.00 0.00 C ATOM 150 C PRO A 925 -3.359 11.528 5.670 1.00 0.00 C ATOM 151 O PRO A 925 -3.497 10.466 6.277 1.00 0.00 O ATOM 152 CB PRO A 925 -2.131 13.556 6.495 1.00 0.00 C ATOM 153 CG PRO A 925 -1.613 13.170 7.837 1.00 0.00 C ATOM 154 CD PRO A 925 -2.818 13.046 8.727 1.00 0.00 C ATOM 0 HA PRO A 925 -4.228 13.427 5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.459 13.228 5.702 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.228 14.638 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -1.066 12.229 7.788 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.922 13.921 8.219 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.682 12.272 9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -3.023 13.976 9.257 1.00 0.00 H new ATOM 162 N THR A 926 -3.087 11.587 4.369 1.00 0.00 N ATOM 163 CA THR A 926 -2.935 10.381 3.565 1.00 0.00 C ATOM 164 C THR A 926 -1.467 9.993 3.430 1.00 0.00 C ATOM 165 O THR A 926 -0.654 10.769 2.927 1.00 0.00 O ATOM 166 CB THR A 926 -3.538 10.563 2.160 1.00 0.00 C ATOM 167 OG1 THR A 926 -4.900 10.991 2.263 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.468 9.265 1.369 1.00 0.00 C ATOM 0 H THR A 926 -2.968 12.457 3.851 1.00 0.00 H new ATOM 0 HA THR A 926 -3.472 9.586 4.082 1.00 0.00 H new ATOM 0 HB THR A 926 -2.958 11.322 1.635 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.495 10.224 2.129 1.00 0.00 H new ATOM 0 HG21 THR A 926 -3.900 9.418 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.427 8.957 1.267 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.027 8.489 1.893 1.00 0.00 H new ATOM 176 N ILE A 927 -1.134 8.788 3.880 1.00 0.00 N ATOM 177 CA ILE A 927 0.236 8.297 3.807 1.00 0.00 C ATOM 178 C ILE A 927 0.418 7.348 2.627 1.00 0.00 C ATOM 179 O ILE A 927 -0.269 6.332 2.523 1.00 0.00 O ATOM 180 CB ILE A 927 0.644 7.570 5.102 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.539 8.518 6.299 1.00 0.00 C ATOM 182 CG2 ILE A 927 2.057 7.020 4.978 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.547 9.645 6.268 1.00 0.00 C ATOM 0 H ILE A 927 -1.795 8.134 4.299 1.00 0.00 H new ATOM 0 HA ILE A 927 0.876 9.169 3.672 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.037 6.735 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.465 8.941 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.673 7.947 7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.331 6.509 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.102 6.316 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.752 7.840 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.414 10.276 7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.555 9.231 6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.399 10.241 5.367 1.00 0.00 H new ATOM 195 N ILE A 928 1.349 7.687 1.741 1.00 0.00 N ATOM 196 CA ILE A 928 1.623 6.864 0.570 1.00 0.00 C ATOM 197 C ILE A 928 2.924 6.086 0.737 1.00 0.00 C ATOM 198 O ILE A 928 3.902 6.599 1.281 1.00 0.00 O ATOM 199 CB ILE A 928 1.708 7.716 -0.710 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.376 8.424 -0.967 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.091 6.849 -1.900 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.465 9.519 -2.007 1.00 0.00 C ATOM 0 H ILE A 928 1.926 8.525 1.812 1.00 0.00 H new ATOM 0 HA ILE A 928 0.793 6.164 0.476 1.00 0.00 H new ATOM 0 HB ILE A 928 2.480 8.473 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.361 7.688 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.014 8.851 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.147 7.466 -2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.061 6.387 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.340 6.072 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.515 9.977 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.178 10.275 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 928 0.797 9.095 -2.955 1.00 0.00 H new ATOM 214 N LYS A 929 2.930 4.845 0.263 1.00 0.00 N ATOM 215 CA LYS A 929 4.111 3.995 0.356 1.00 0.00 C ATOM 216 C LYS A 929 4.726 3.765 -1.022 1.00 0.00 C ATOM 217 O LYS A 929 4.035 3.373 -1.963 1.00 0.00 O ATOM 218 CB LYS A 929 3.751 2.653 0.996 1.00 0.00 C ATOM 219 CG LYS A 929 4.871 2.057 1.830 1.00 0.00 C ATOM 220 CD LYS A 929 4.811 0.538 1.840 1.00 0.00 C ATOM 221 CE LYS A 929 3.441 0.038 2.272 1.00 0.00 C ATOM 222 NZ LYS A 929 3.494 -1.365 2.770 1.00 0.00 N ATOM 0 H LYS A 929 2.129 4.405 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 929 4.845 4.503 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.871 2.785 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 929 3.479 1.947 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 929 5.833 2.381 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 929 4.804 2.431 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 929 5.042 0.157 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 929 5.572 0.147 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 929 3.048 0.687 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 929 2.750 0.099 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 2.541 -1.669 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 3.845 -1.988 2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 4.133 -1.419 3.589 1.00 0.00 H new ATOM 236 N VAL A 930 6.028 4.009 -1.132 1.00 0.00 N ATOM 237 CA VAL A 930 6.735 3.825 -2.394 1.00 0.00 C ATOM 238 C VAL A 930 7.618 2.583 -2.353 1.00 0.00 C ATOM 239 O VAL A 930 8.395 2.393 -1.418 1.00 0.00 O ATOM 240 CB VAL A 930 7.606 5.050 -2.732 1.00 0.00 C ATOM 241 CG1 VAL A 930 7.886 5.110 -4.226 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.934 6.329 -2.255 1.00 0.00 C ATOM 0 H VAL A 930 6.614 4.334 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 930 5.977 3.702 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 930 8.559 4.952 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.502 5.982 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.412 4.206 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 930 6.944 5.185 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.563 7.184 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 930 5.967 6.436 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.790 6.284 -1.175 1.00 0.00 H new ATOM 252 N GLN A 931 7.493 1.741 -3.374 1.00 0.00 N ATOM 253 CA GLN A 931 8.280 0.517 -3.454 1.00 0.00 C ATOM 254 C GLN A 931 8.911 0.364 -4.835 1.00 0.00 C ATOM 255 O GLN A 931 8.608 1.124 -5.753 1.00 0.00 O ATOM 256 CB GLN A 931 7.405 -0.699 -3.143 1.00 0.00 C ATOM 257 CG GLN A 931 8.091 -1.734 -2.266 1.00 0.00 C ATOM 258 CD GLN A 931 7.190 -2.254 -1.163 1.00 0.00 C ATOM 259 OE1 GLN A 931 6.893 -1.401 -0.190 1.00 0.00 O flip ATOM 260 NE2 GLN A 931 6.766 -3.410 -1.185 1.00 0.00 N flip ATOM 0 H GLN A 931 6.855 1.884 -4.156 1.00 0.00 H new ATOM 0 HA GLN A 931 9.078 0.580 -2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.493 -0.363 -2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.105 -1.170 -4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.420 -2.569 -2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 931 8.985 -1.294 -1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 931 7.020 -4.032 -1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 931 6.161 -3.746 -0.436 1.00 0.00 H new ATOM 269 N ASN A 932 9.789 -0.624 -4.973 1.00 0.00 N ATOM 270 CA ASN A 932 10.463 -0.876 -6.241 1.00 0.00 C ATOM 271 C ASN A 932 11.330 0.313 -6.642 1.00 0.00 C ATOM 272 O ASN A 932 11.216 0.831 -7.753 1.00 0.00 O ATOM 273 CB ASN A 932 9.437 -1.166 -7.339 1.00 0.00 C ATOM 274 CG ASN A 932 10.012 -2.009 -8.460 1.00 0.00 C ATOM 275 OD1 ASN A 932 11.157 -1.591 -8.987 1.00 0.00 O flip ATOM 276 ND2 ASN A 932 9.434 -3.025 -8.848 1.00 0.00 N flip ATOM 0 H ASN A 932 10.050 -1.263 -4.222 1.00 0.00 H new ATOM 0 HA ASN A 932 11.107 -1.746 -6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.580 -1.680 -6.905 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.070 -0.224 -7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 932 8.556 -3.309 -8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 932 9.834 -3.582 -9.603 1.00 0.00 H new ATOM 283 N MET A 933 12.197 0.741 -5.730 1.00 0.00 N ATOM 284 CA MET A 933 13.085 1.868 -5.989 1.00 0.00 C ATOM 285 C MET A 933 14.543 1.420 -5.999 1.00 0.00 C ATOM 286 O MET A 933 14.988 0.652 -5.146 1.00 0.00 O ATOM 287 CB MET A 933 12.882 2.958 -4.935 1.00 0.00 C ATOM 288 CG MET A 933 11.832 3.987 -5.320 1.00 0.00 C ATOM 289 SD MET A 933 11.858 5.439 -4.252 1.00 0.00 S ATOM 290 CE MET A 933 11.679 4.678 -2.640 1.00 0.00 C ATOM 0 H MET A 933 12.303 0.324 -4.805 1.00 0.00 H new ATOM 0 HA MET A 933 12.840 2.272 -6.971 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.594 2.492 -3.993 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.831 3.466 -4.762 1.00 0.00 H new ATOM 0 HG2 MET A 933 11.994 4.297 -6.352 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.845 3.527 -5.277 1.00 0.00 H new ATOM 0 HE1 MET A 933 10.882 5.177 -2.088 1.00 0.00 H new ATOM 0 HE2 MET A 933 11.431 3.624 -2.761 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.615 4.770 -2.088 1.00 0.00 H new ATOM 300 N PRO A 934 15.307 1.909 -6.988 1.00 0.00 N ATOM 301 CA PRO A 934 16.726 1.572 -7.132 1.00 0.00 C ATOM 302 C PRO A 934 17.583 2.189 -6.032 1.00 0.00 C ATOM 303 O PRO A 934 17.104 3.001 -5.240 1.00 0.00 O ATOM 304 CB PRO A 934 17.095 2.166 -8.494 1.00 0.00 C ATOM 305 CG PRO A 934 16.119 3.272 -8.701 1.00 0.00 C ATOM 306 CD PRO A 934 14.843 2.829 -8.040 1.00 0.00 C ATOM 0 HA PRO A 934 16.899 0.498 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.120 2.536 -8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.021 1.419 -9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.483 4.201 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 934 15.963 3.461 -9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.293 3.672 -7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.177 2.331 -8.745 1.00 0.00 H new ATOM 314 N PHE A 935 18.853 1.800 -5.989 1.00 0.00 N ATOM 315 CA PHE A 935 19.777 2.315 -4.986 1.00 0.00 C ATOM 316 C PHE A 935 20.193 3.746 -5.313 1.00 0.00 C ATOM 317 O PHE A 935 20.649 4.487 -4.441 1.00 0.00 O ATOM 318 CB PHE A 935 21.015 1.420 -4.895 1.00 0.00 C ATOM 319 CG PHE A 935 20.695 -0.047 -4.884 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.021 -0.614 -3.814 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.068 -0.859 -5.943 1.00 0.00 C ATOM 322 CE1 PHE A 935 19.726 -1.965 -3.801 1.00 0.00 C ATOM 323 CE2 PHE A 935 20.775 -2.210 -5.935 1.00 0.00 C ATOM 324 CZ PHE A 935 20.103 -2.763 -4.863 1.00 0.00 C ATOM 0 H PHE A 935 19.266 1.130 -6.638 1.00 0.00 H new ATOM 0 HA PHE A 935 19.266 2.315 -4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.671 1.634 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.568 1.670 -3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.723 0.006 -2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 935 21.594 -0.432 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.201 -2.396 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.071 -2.832 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 935 19.873 -3.818 -4.855 1.00 0.00 H new ATOM 334 N THR A 936 20.032 4.129 -6.576 1.00 0.00 N ATOM 335 CA THR A 936 20.391 5.470 -7.019 1.00 0.00 C ATOM 336 C THR A 936 19.405 6.506 -6.492 1.00 0.00 C ATOM 337 O THR A 936 19.682 7.705 -6.509 1.00 0.00 O ATOM 338 CB THR A 936 20.440 5.559 -8.556 1.00 0.00 C ATOM 339 OG1 THR A 936 19.149 5.270 -9.105 1.00 0.00 O ATOM 340 CG2 THR A 936 21.465 4.588 -9.123 1.00 0.00 C ATOM 0 H THR A 936 19.655 3.529 -7.310 1.00 0.00 H new ATOM 0 HA THR A 936 21.383 5.680 -6.618 1.00 0.00 H new ATOM 0 HB THR A 936 20.733 6.573 -8.829 1.00 0.00 H new ATOM 0 HG1 THR A 936 19.188 5.330 -10.082 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.481 4.669 -10.210 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.452 4.828 -8.727 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.198 3.570 -8.839 1.00 0.00 H new ATOM 348 N VAL A 937 18.254 6.036 -6.024 1.00 0.00 N ATOM 349 CA VAL A 937 17.227 6.922 -5.490 1.00 0.00 C ATOM 350 C VAL A 937 17.758 7.732 -4.312 1.00 0.00 C ATOM 351 O VAL A 937 18.608 7.262 -3.556 1.00 0.00 O ATOM 352 CB VAL A 937 15.984 6.133 -5.038 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.987 7.054 -4.350 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.341 5.427 -6.222 1.00 0.00 C ATOM 0 H VAL A 937 18.009 5.046 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 937 16.944 7.600 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 937 16.298 5.376 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 937 14.116 6.479 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.454 7.508 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.676 7.836 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.464 4.875 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 937 15.040 6.165 -6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 937 16.057 4.735 -6.666 1.00 0.00 H new ATOM 364 N SER A 938 17.249 8.951 -4.162 1.00 0.00 N ATOM 365 CA SER A 938 17.675 9.828 -3.077 1.00 0.00 C ATOM 366 C SER A 938 16.578 10.829 -2.727 1.00 0.00 C ATOM 367 O SER A 938 15.572 10.935 -3.429 1.00 0.00 O ATOM 368 CB SER A 938 18.954 10.570 -3.466 1.00 0.00 C ATOM 369 OG SER A 938 20.091 9.736 -3.324 1.00 0.00 O ATOM 0 H SER A 938 16.542 9.353 -4.777 1.00 0.00 H new ATOM 0 HA SER A 938 17.874 9.212 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.879 10.915 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.069 11.456 -2.841 1.00 0.00 H new ATOM 0 HG SER A 938 19.805 8.801 -3.259 1.00 0.00 H new ATOM 375 N ILE A 939 16.781 11.562 -1.638 1.00 0.00 N ATOM 376 CA ILE A 939 15.812 12.556 -1.194 1.00 0.00 C ATOM 377 C ILE A 939 15.545 13.589 -2.284 1.00 0.00 C ATOM 378 O ILE A 939 14.402 13.982 -2.515 1.00 0.00 O ATOM 379 CB ILE A 939 16.290 13.280 0.078 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.438 12.286 1.232 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.320 14.391 0.451 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.291 12.804 2.369 1.00 0.00 C ATOM 0 H ILE A 939 17.608 11.486 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 939 14.890 12.020 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 939 17.265 13.726 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.449 12.036 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 939 16.875 11.363 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.671 14.894 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.259 15.111 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.333 13.966 0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.352 12.048 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.292 13.027 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 939 16.844 13.711 2.775 1.00 0.00 H new ATOM 394 N ASP A 940 16.608 14.022 -2.953 1.00 0.00 N ATOM 395 CA ASP A 940 16.490 15.008 -4.021 1.00 0.00 C ATOM 396 C ASP A 940 15.656 14.460 -5.175 1.00 0.00 C ATOM 397 O ASP A 940 14.782 15.147 -5.702 1.00 0.00 O ATOM 398 CB ASP A 940 17.876 15.414 -4.525 1.00 0.00 C ATOM 399 CG ASP A 940 18.896 15.497 -3.407 1.00 0.00 C ATOM 400 OD1 ASP A 940 18.702 16.318 -2.485 1.00 0.00 O ATOM 401 OD2 ASP A 940 19.889 14.742 -3.453 1.00 0.00 O ATOM 0 H ASP A 940 17.561 13.706 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 940 15.987 15.887 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.215 14.693 -5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.809 16.380 -5.025 1.00 0.00 H new ATOM 406 N GLU A 941 15.934 13.219 -5.563 1.00 0.00 N ATOM 407 CA GLU A 941 15.210 12.580 -6.656 1.00 0.00 C ATOM 408 C GLU A 941 13.743 12.376 -6.291 1.00 0.00 C ATOM 409 O GLU A 941 12.852 12.592 -7.112 1.00 0.00 O ATOM 410 CB GLU A 941 15.852 11.237 -7.006 1.00 0.00 C ATOM 411 CG GLU A 941 17.248 11.363 -7.593 1.00 0.00 C ATOM 412 CD GLU A 941 17.256 12.084 -8.928 1.00 0.00 C ATOM 413 OE1 GLU A 941 16.274 11.939 -9.685 1.00 0.00 O ATOM 414 OE2 GLU A 941 18.243 12.792 -9.214 1.00 0.00 O ATOM 0 H GLU A 941 16.655 12.637 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 941 15.262 13.236 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.899 10.622 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.214 10.714 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.887 11.899 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.677 10.369 -7.719 1.00 0.00 H new ATOM 421 N ILE A 942 13.500 11.957 -5.053 1.00 0.00 N ATOM 422 CA ILE A 942 12.142 11.723 -4.579 1.00 0.00 C ATOM 423 C ILE A 942 11.336 13.018 -4.558 1.00 0.00 C ATOM 424 O ILE A 942 10.218 13.074 -5.071 1.00 0.00 O ATOM 425 CB ILE A 942 12.137 11.106 -3.168 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.666 9.671 -3.213 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.734 11.141 -2.579 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.304 9.221 -1.917 1.00 0.00 C ATOM 0 H ILE A 942 14.226 11.773 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 942 11.681 11.022 -5.275 1.00 0.00 H new ATOM 0 HB ILE A 942 12.793 11.695 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.845 8.997 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.397 9.587 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.747 10.701 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.392 12.174 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.057 10.573 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.656 8.195 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.146 9.871 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.570 9.272 -1.113 1.00 0.00 H new ATOM 440 N LEU A 943 11.912 14.057 -3.964 1.00 0.00 N ATOM 441 CA LEU A 943 11.249 15.353 -3.878 1.00 0.00 C ATOM 442 C LEU A 943 10.900 15.880 -5.266 1.00 0.00 C ATOM 443 O LEU A 943 9.813 16.416 -5.483 1.00 0.00 O ATOM 444 CB LEU A 943 12.143 16.358 -3.149 1.00 0.00 C ATOM 445 CG LEU A 943 12.079 16.329 -1.622 1.00 0.00 C ATOM 446 CD1 LEU A 943 13.109 17.275 -1.026 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.681 16.689 -1.140 1.00 0.00 C ATOM 0 H LEU A 943 12.837 14.027 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 943 10.324 15.223 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.175 16.183 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.878 17.360 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 943 12.309 15.317 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 943 13.048 17.241 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 943 14.107 16.973 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.911 18.291 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.654 16.663 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.423 17.690 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.963 15.972 -1.538 1.00 0.00 H new ATOM 459 N ASP A 944 11.828 15.721 -6.204 1.00 0.00 N ATOM 460 CA ASP A 944 11.617 16.177 -7.573 1.00 0.00 C ATOM 461 C ASP A 944 10.608 15.288 -8.293 1.00 0.00 C ATOM 462 O ASP A 944 9.873 15.747 -9.167 1.00 0.00 O ATOM 463 CB ASP A 944 12.942 16.190 -8.338 1.00 0.00 C ATOM 464 CG ASP A 944 12.900 17.099 -9.551 1.00 0.00 C ATOM 465 OD1 ASP A 944 11.925 17.010 -10.326 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.844 17.898 -9.726 1.00 0.00 O ATOM 0 H ASP A 944 12.733 15.280 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 944 11.218 17.191 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.740 16.515 -7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 944 13.185 15.176 -8.655 1.00 0.00 H new ATOM 471 N PHE A 945 10.580 14.012 -7.921 1.00 0.00 N ATOM 472 CA PHE A 945 9.663 13.058 -8.532 1.00 0.00 C ATOM 473 C PHE A 945 8.215 13.406 -8.201 1.00 0.00 C ATOM 474 O PHE A 945 7.319 13.236 -9.028 1.00 0.00 O ATOM 475 CB PHE A 945 9.979 11.638 -8.057 1.00 0.00 C ATOM 476 CG PHE A 945 8.949 10.625 -8.467 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.762 10.501 -7.763 1.00 0.00 C ATOM 478 CD2 PHE A 945 9.167 9.798 -9.556 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.812 9.569 -8.137 1.00 0.00 C ATOM 480 CE2 PHE A 945 8.220 8.864 -9.936 1.00 0.00 C ATOM 481 CZ PHE A 945 7.041 8.751 -9.226 1.00 0.00 C ATOM 0 H PHE A 945 11.182 13.615 -7.199 1.00 0.00 H new ATOM 0 HA PHE A 945 9.793 13.110 -9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.949 11.339 -8.453 1.00 0.00 H new ATOM 0 HB3 PHE A 945 10.065 11.638 -6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.577 11.140 -6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 945 10.087 9.883 -10.115 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.892 9.481 -7.578 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.402 8.224 -10.787 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.299 8.024 -9.522 1.00 0.00 H new ATOM 491 N PHE A 946 7.993 13.895 -6.985 1.00 0.00 N ATOM 492 CA PHE A 946 6.654 14.266 -6.543 1.00 0.00 C ATOM 493 C PHE A 946 6.343 15.715 -6.907 1.00 0.00 C ATOM 494 O PHE A 946 5.342 16.277 -6.462 1.00 0.00 O ATOM 495 CB PHE A 946 6.520 14.068 -5.032 1.00 0.00 C ATOM 496 CG PHE A 946 6.140 12.668 -4.642 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.809 12.288 -4.585 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.114 11.733 -4.332 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.456 11.001 -4.227 1.00 0.00 C ATOM 500 CE2 PHE A 946 6.767 10.444 -3.973 1.00 0.00 C ATOM 501 CZ PHE A 946 5.436 10.078 -3.920 1.00 0.00 C ATOM 0 H PHE A 946 8.723 14.043 -6.288 1.00 0.00 H new ATOM 0 HA PHE A 946 5.938 13.620 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.465 14.326 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.770 14.760 -4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 946 4.038 13.006 -4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.156 12.014 -4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.415 10.717 -4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.536 9.724 -3.734 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.162 9.072 -3.639 1.00 0.00 H new ATOM 511 N TYR A 947 7.208 16.313 -7.718 1.00 0.00 N ATOM 512 CA TYR A 947 7.029 17.697 -8.140 1.00 0.00 C ATOM 513 C TYR A 947 5.579 17.963 -8.534 1.00 0.00 C ATOM 514 O TYR A 947 4.857 17.053 -8.938 1.00 0.00 O ATOM 515 CB TYR A 947 7.956 18.019 -9.314 1.00 0.00 C ATOM 516 CG TYR A 947 7.894 19.463 -9.756 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.487 20.467 -9.000 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.243 19.825 -10.929 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.433 21.789 -9.399 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.185 21.143 -11.337 1.00 0.00 C ATOM 521 CZ TYR A 947 7.781 22.122 -10.569 1.00 0.00 C ATOM 522 OH TYR A 947 7.725 23.436 -10.971 1.00 0.00 O ATOM 0 H TYR A 947 8.040 15.861 -8.096 1.00 0.00 H new ATOM 0 HA TYR A 947 7.282 18.342 -7.299 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.981 17.777 -9.033 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.697 17.378 -10.157 1.00 0.00 H new ATOM 0 HD1 TYR A 947 8.999 20.210 -8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 947 6.774 19.062 -11.532 1.00 0.00 H new ATOM 0 HE1 TYR A 947 8.898 22.557 -8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 947 6.676 21.406 -12.252 1.00 0.00 H new ATOM 0 HH TYR A 947 7.231 23.499 -11.815 1.00 0.00 H new ATOM 532 N GLY A 948 5.161 19.220 -8.414 1.00 0.00 N ATOM 533 CA GLY A 948 3.800 19.585 -8.761 1.00 0.00 C ATOM 534 C GLY A 948 2.853 19.482 -7.582 1.00 0.00 C ATOM 535 O GLY A 948 2.006 20.352 -7.379 1.00 0.00 O ATOM 0 H GLY A 948 5.741 19.991 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.787 20.605 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.447 18.938 -9.564 1.00 0.00 H new ATOM 539 N TYR A 949 2.995 18.415 -6.803 1.00 0.00 N ATOM 540 CA TYR A 949 2.143 18.199 -5.640 1.00 0.00 C ATOM 541 C TYR A 949 2.784 18.773 -4.380 1.00 0.00 C ATOM 542 O TYR A 949 4.008 18.813 -4.258 1.00 0.00 O ATOM 543 CB TYR A 949 1.869 16.706 -5.452 1.00 0.00 C ATOM 544 CG TYR A 949 1.220 16.054 -6.651 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.131 16.236 -6.919 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.957 15.255 -7.517 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.729 15.641 -8.013 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.368 14.657 -8.614 1.00 0.00 C ATOM 549 CZ TYR A 949 0.025 14.853 -8.858 1.00 0.00 C ATOM 550 OH TYR A 949 -0.566 14.259 -9.949 1.00 0.00 O ATOM 0 H TYR A 949 3.692 17.686 -6.956 1.00 0.00 H new ATOM 0 HA TYR A 949 1.199 18.716 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.809 16.197 -5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.226 16.570 -4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.724 16.853 -6.261 1.00 0.00 H new ATOM 0 HD2 TYR A 949 3.009 15.099 -7.329 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.781 15.792 -8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 949 1.956 14.039 -9.277 1.00 0.00 H new ATOM 0 HH TYR A 949 0.128 13.943 -10.565 1.00 0.00 H new ATOM 560 N GLN A 950 1.947 19.214 -3.447 1.00 0.00 N ATOM 561 CA GLN A 950 2.432 19.786 -2.196 1.00 0.00 C ATOM 562 C GLN A 950 2.697 18.694 -1.165 1.00 0.00 C ATOM 563 O GLN A 950 1.804 18.309 -0.409 1.00 0.00 O ATOM 564 CB GLN A 950 1.419 20.790 -1.643 1.00 0.00 C ATOM 565 CG GLN A 950 1.202 21.994 -2.545 1.00 0.00 C ATOM 566 CD GLN A 950 0.097 22.905 -2.048 1.00 0.00 C ATOM 567 OE1 GLN A 950 -0.057 23.114 -0.844 1.00 0.00 O ATOM 568 NE2 GLN A 950 -0.681 23.453 -2.974 1.00 0.00 N ATOM 0 H GLN A 950 0.931 19.186 -3.533 1.00 0.00 H new ATOM 0 HA GLN A 950 3.370 20.302 -2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 950 0.465 20.285 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.758 21.135 -0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 950 2.130 22.561 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 950 0.960 21.651 -3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -0.518 23.253 -3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -1.442 24.074 -2.699 1.00 0.00 H new ATOM 577 N VAL A 951 3.929 18.197 -1.140 1.00 0.00 N ATOM 578 CA VAL A 951 4.312 17.149 -0.201 1.00 0.00 C ATOM 579 C VAL A 951 4.610 17.728 1.178 1.00 0.00 C ATOM 580 O VAL A 951 5.378 18.682 1.309 1.00 0.00 O ATOM 581 CB VAL A 951 5.548 16.375 -0.698 1.00 0.00 C ATOM 582 CG1 VAL A 951 6.012 15.379 0.354 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.242 15.671 -2.012 1.00 0.00 C ATOM 0 H VAL A 951 4.679 18.503 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 951 3.467 16.464 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 951 6.355 17.086 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.886 14.841 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.272 15.911 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.211 14.670 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 951 6.126 15.129 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.420 14.970 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.961 16.409 -2.763 1.00 0.00 H new ATOM 593 N ILE A 952 3.997 17.145 2.203 1.00 0.00 N ATOM 594 CA ILE A 952 4.198 17.603 3.572 1.00 0.00 C ATOM 595 C ILE A 952 5.672 17.546 3.960 1.00 0.00 C ATOM 596 O ILE A 952 6.378 16.578 3.676 1.00 0.00 O ATOM 597 CB ILE A 952 3.383 16.761 4.572 1.00 0.00 C ATOM 598 CG1 ILE A 952 1.887 16.880 4.271 1.00 0.00 C ATOM 599 CG2 ILE A 952 3.679 17.200 5.998 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.032 15.929 5.078 1.00 0.00 C ATOM 0 H ILE A 952 3.358 16.355 2.111 1.00 0.00 H new ATOM 0 HA ILE A 952 3.854 18.636 3.613 1.00 0.00 H new ATOM 0 HB ILE A 952 3.674 15.716 4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.565 17.902 4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.722 16.693 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.096 16.596 6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 952 4.741 17.069 6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.413 18.250 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 952 -0.016 16.068 4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.327 14.902 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.168 16.130 6.141 1.00 0.00 H new ATOM 612 N PRO A 953 6.149 18.608 4.627 1.00 0.00 N ATOM 613 CA PRO A 953 7.543 18.702 5.071 1.00 0.00 C ATOM 614 C PRO A 953 7.859 17.727 6.200 1.00 0.00 C ATOM 615 O PRO A 953 6.999 17.415 7.023 1.00 0.00 O ATOM 616 CB PRO A 953 7.661 20.147 5.564 1.00 0.00 C ATOM 617 CG PRO A 953 6.273 20.531 5.946 1.00 0.00 C ATOM 618 CD PRO A 953 5.364 19.797 5.000 1.00 0.00 C ATOM 0 HA PRO A 953 8.243 18.450 4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.340 20.221 6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.052 20.801 4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.063 20.257 6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.131 21.609 5.866 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.423 19.524 5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.115 20.404 4.129 1.00 0.00 H new ATOM 626 N GLY A 954 9.099 17.249 6.233 1.00 0.00 N ATOM 627 CA GLY A 954 9.507 16.314 7.266 1.00 0.00 C ATOM 628 C GLY A 954 8.747 15.005 7.195 1.00 0.00 C ATOM 629 O GLY A 954 8.788 14.204 8.129 1.00 0.00 O ATOM 0 H GLY A 954 9.829 17.492 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.575 16.116 7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.352 16.768 8.245 1.00 0.00 H new ATOM 633 N SER A 955 8.048 14.787 6.085 1.00 0.00 N ATOM 634 CA SER A 955 7.270 13.567 5.899 1.00 0.00 C ATOM 635 C SER A 955 8.081 12.516 5.148 1.00 0.00 C ATOM 636 O SER A 955 8.193 11.371 5.586 1.00 0.00 O ATOM 637 CB SER A 955 5.979 13.873 5.137 1.00 0.00 C ATOM 638 OG SER A 955 5.167 14.785 5.855 1.00 0.00 O ATOM 0 H SER A 955 8.004 15.439 5.302 1.00 0.00 H new ATOM 0 HA SER A 955 7.018 13.171 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 955 6.220 14.288 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.428 12.949 4.964 1.00 0.00 H new ATOM 0 HG SER A 955 4.676 14.305 6.555 1.00 0.00 H new ATOM 644 N VAL A 956 8.646 12.913 4.012 1.00 0.00 N ATOM 645 CA VAL A 956 9.447 12.006 3.198 1.00 0.00 C ATOM 646 C VAL A 956 10.445 11.235 4.056 1.00 0.00 C ATOM 647 O VAL A 956 11.475 11.773 4.463 1.00 0.00 O ATOM 648 CB VAL A 956 10.212 12.766 2.099 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.100 11.815 1.311 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.242 13.489 1.177 1.00 0.00 C ATOM 0 H VAL A 956 8.564 13.857 3.634 1.00 0.00 H new ATOM 0 HA VAL A 956 8.755 11.305 2.731 1.00 0.00 H new ATOM 0 HB VAL A 956 10.850 13.511 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 956 11.633 12.370 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 956 11.819 11.348 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.485 11.045 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 956 9.800 14.021 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 956 8.577 12.764 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 956 8.653 14.201 1.755 1.00 0.00 H new ATOM 660 N CYS A 957 10.132 9.973 4.326 1.00 0.00 N ATOM 661 CA CYS A 957 11.001 9.127 5.136 1.00 0.00 C ATOM 662 C CYS A 957 11.512 7.939 4.327 1.00 0.00 C ATOM 663 O CYS A 957 10.747 7.280 3.622 1.00 0.00 O ATOM 664 CB CYS A 957 10.254 8.631 6.376 1.00 0.00 C ATOM 665 SG CYS A 957 10.234 9.810 7.746 1.00 0.00 S ATOM 0 H CYS A 957 9.283 9.513 3.996 1.00 0.00 H new ATOM 0 HA CYS A 957 11.857 9.724 5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.227 8.396 6.098 1.00 0.00 H new ATOM 0 HB3 CYS A 957 10.713 7.703 6.716 1.00 0.00 H new ATOM 0 HG CYS A 957 9.471 10.817 7.440 1.00 0.00 H new ATOM 671 N LEU A 958 12.809 7.673 4.432 1.00 0.00 N ATOM 672 CA LEU A 958 13.424 6.565 3.708 1.00 0.00 C ATOM 673 C LEU A 958 13.562 5.339 4.604 1.00 0.00 C ATOM 674 O LEU A 958 13.922 5.451 5.777 1.00 0.00 O ATOM 675 CB LEU A 958 14.796 6.978 3.173 1.00 0.00 C ATOM 676 CG LEU A 958 14.792 7.873 1.933 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.125 8.591 1.788 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.486 7.056 0.687 1.00 0.00 C ATOM 0 H LEU A 958 13.455 8.209 5.011 1.00 0.00 H new ATOM 0 HA LEU A 958 12.777 6.308 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.333 7.495 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.361 6.075 2.943 1.00 0.00 H new ATOM 0 HG LEU A 958 14.010 8.623 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.103 9.223 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.303 9.208 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 958 16.925 7.857 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.487 7.709 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.245 6.283 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.506 6.589 0.789 1.00 0.00 H new ATOM 690 N LYS A 959 13.278 4.168 4.045 1.00 0.00 N ATOM 691 CA LYS A 959 13.374 2.919 4.792 1.00 0.00 C ATOM 692 C LYS A 959 14.751 2.286 4.618 1.00 0.00 C ATOM 693 O LYS A 959 15.283 2.229 3.509 1.00 0.00 O ATOM 694 CB LYS A 959 12.290 1.942 4.332 1.00 0.00 C ATOM 695 CG LYS A 959 11.845 0.974 5.414 1.00 0.00 C ATOM 696 CD LYS A 959 10.745 1.569 6.278 1.00 0.00 C ATOM 697 CE LYS A 959 10.701 0.918 7.652 1.00 0.00 C ATOM 698 NZ LYS A 959 10.964 -0.546 7.580 1.00 0.00 N ATOM 0 H LYS A 959 12.979 4.057 3.076 1.00 0.00 H new ATOM 0 HA LYS A 959 13.228 3.144 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.426 2.508 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.662 1.374 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 959 11.489 0.052 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 959 12.697 0.710 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 959 10.907 2.641 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 959 9.783 1.441 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 959 11.440 1.388 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 959 9.724 1.090 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 10.588 -1.009 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 10.499 -0.941 6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 11.989 -0.712 7.520 1.00 0.00 H new ATOM 712 N TYR A 960 15.321 1.812 5.720 1.00 0.00 N ATOM 713 CA TYR A 960 16.637 1.183 5.689 1.00 0.00 C ATOM 714 C TYR A 960 16.585 -0.218 6.290 1.00 0.00 C ATOM 715 O TYR A 960 15.607 -0.594 6.934 1.00 0.00 O ATOM 716 CB TYR A 960 17.651 2.039 6.449 1.00 0.00 C ATOM 717 CG TYR A 960 17.767 3.452 5.922 1.00 0.00 C ATOM 718 CD1 TYR A 960 18.501 3.728 4.775 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.144 4.510 6.571 1.00 0.00 C ATOM 720 CE1 TYR A 960 18.611 5.017 4.290 1.00 0.00 C ATOM 721 CE2 TYR A 960 17.247 5.802 6.093 1.00 0.00 C ATOM 722 CZ TYR A 960 17.982 6.050 4.952 1.00 0.00 C ATOM 723 OH TYR A 960 18.088 7.336 4.473 1.00 0.00 O ATOM 0 H TYR A 960 14.893 1.851 6.645 1.00 0.00 H new ATOM 0 HA TYR A 960 16.949 1.100 4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.368 2.075 7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.629 1.560 6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 960 18.994 2.921 4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 960 16.569 4.319 7.465 1.00 0.00 H new ATOM 0 HE1 TYR A 960 19.186 5.214 3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 960 16.755 6.613 6.609 1.00 0.00 H new ATOM 0 HH TYR A 960 17.586 7.944 5.054 1.00 0.00 H new ATOM 733 N ASN A 961 17.648 -0.987 6.074 1.00 0.00 N ATOM 734 CA ASN A 961 17.725 -2.347 6.594 1.00 0.00 C ATOM 735 C ASN A 961 18.573 -2.397 7.862 1.00 0.00 C ATOM 736 O ASN A 961 19.027 -1.367 8.357 1.00 0.00 O ATOM 737 CB ASN A 961 18.312 -3.286 5.538 1.00 0.00 C ATOM 738 CG ASN A 961 19.309 -2.588 4.634 1.00 0.00 C ATOM 739 OD1 ASN A 961 20.199 -1.879 5.103 1.00 0.00 O ATOM 740 ND2 ASN A 961 19.164 -2.787 3.329 1.00 0.00 N ATOM 0 H ASN A 961 18.467 -0.691 5.543 1.00 0.00 H new ATOM 0 HA ASN A 961 16.715 -2.673 6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 961 18.800 -4.125 6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.504 -3.699 4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 961 19.805 -2.344 2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 961 18.411 -3.383 2.985 1.00 0.00 H new ATOM 747 N GLU A 962 18.780 -3.604 8.381 1.00 0.00 N ATOM 748 CA GLU A 962 19.572 -3.788 9.591 1.00 0.00 C ATOM 749 C GLU A 962 21.031 -3.411 9.349 1.00 0.00 C ATOM 750 O GLU A 962 21.830 -3.342 10.283 1.00 0.00 O ATOM 751 CB GLU A 962 19.481 -5.238 10.072 1.00 0.00 C ATOM 752 CG GLU A 962 20.540 -6.146 9.468 1.00 0.00 C ATOM 753 CD GLU A 962 20.308 -7.608 9.796 1.00 0.00 C ATOM 754 OE1 GLU A 962 19.143 -8.052 9.740 1.00 0.00 O ATOM 755 OE2 GLU A 962 21.294 -8.309 10.107 1.00 0.00 O ATOM 0 H GLU A 962 18.411 -4.467 7.983 1.00 0.00 H new ATOM 0 HA GLU A 962 19.168 -3.132 10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 962 19.573 -5.258 11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.494 -5.632 9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 962 20.550 -6.017 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 962 21.522 -5.846 9.834 1.00 0.00 H new ATOM 762 N LYS A 963 21.372 -3.169 8.088 1.00 0.00 N ATOM 763 CA LYS A 963 22.733 -2.798 7.720 1.00 0.00 C ATOM 764 C LYS A 963 22.862 -1.287 7.561 1.00 0.00 C ATOM 765 O LYS A 963 23.934 -0.720 7.765 1.00 0.00 O ATOM 766 CB LYS A 963 23.140 -3.496 6.420 1.00 0.00 C ATOM 767 CG LYS A 963 22.727 -4.956 6.358 1.00 0.00 C ATOM 768 CD LYS A 963 21.334 -5.117 5.772 1.00 0.00 C ATOM 769 CE LYS A 963 21.151 -6.487 5.137 1.00 0.00 C ATOM 770 NZ LYS A 963 19.728 -6.752 4.789 1.00 0.00 N ATOM 0 H LYS A 963 20.723 -3.223 7.303 1.00 0.00 H new ATOM 0 HA LYS A 963 23.399 -3.118 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.695 -2.965 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.222 -3.428 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 963 23.443 -5.512 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 963 22.753 -5.385 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 963 20.590 -4.976 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 963 21.161 -4.342 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 963 21.763 -6.555 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 963 21.506 -7.256 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 19.646 -7.695 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 19.147 -6.712 5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 19.396 -6.034 4.114 1.00 0.00 H new ATOM 784 N GLY A 964 21.760 -0.639 7.195 1.00 0.00 N ATOM 785 CA GLY A 964 21.771 0.801 7.016 1.00 0.00 C ATOM 786 C GLY A 964 21.566 1.207 5.570 1.00 0.00 C ATOM 787 O GLY A 964 21.482 2.394 5.258 1.00 0.00 O ATOM 0 H GLY A 964 20.860 -1.086 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 964 20.988 1.246 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.721 1.201 7.371 1.00 0.00 H new ATOM 791 N MET A 965 21.488 0.219 4.685 1.00 0.00 N ATOM 792 CA MET A 965 21.293 0.480 3.264 1.00 0.00 C ATOM 793 C MET A 965 19.812 0.652 2.941 1.00 0.00 C ATOM 794 O MET A 965 18.939 0.076 3.591 1.00 0.00 O ATOM 795 CB MET A 965 21.880 -0.660 2.429 1.00 0.00 C ATOM 796 CG MET A 965 23.399 -0.657 2.378 1.00 0.00 C ATOM 797 SD MET A 965 24.066 -2.056 1.458 1.00 0.00 S ATOM 798 CE MET A 965 24.899 -2.954 2.765 1.00 0.00 C ATOM 0 H MET A 965 21.557 -0.770 4.927 1.00 0.00 H new ATOM 0 HA MET A 965 21.811 1.406 3.016 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.540 -1.611 2.839 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.491 -0.593 1.413 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.741 0.271 1.919 1.00 0.00 H new ATOM 0 HG3 MET A 965 23.793 -0.675 3.394 1.00 0.00 H new ATOM 0 HE1 MET A 965 25.364 -3.850 2.352 1.00 0.00 H new ATOM 0 HE2 MET A 965 25.666 -2.320 3.211 1.00 0.00 H new ATOM 0 HE3 MET A 965 24.175 -3.240 3.529 1.00 0.00 H new ATOM 808 N PRO A 966 19.520 1.463 1.913 1.00 0.00 N ATOM 809 CA PRO A 966 18.144 1.729 1.481 1.00 0.00 C ATOM 810 C PRO A 966 17.495 0.512 0.833 1.00 0.00 C ATOM 811 O PRO A 966 18.055 -0.090 -0.085 1.00 0.00 O ATOM 812 CB PRO A 966 18.306 2.858 0.459 1.00 0.00 C ATOM 813 CG PRO A 966 19.695 2.705 -0.057 1.00 0.00 C ATOM 814 CD PRO A 966 20.509 2.182 1.094 1.00 0.00 C ATOM 0 HA PRO A 966 17.495 1.984 2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.574 2.773 -0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.161 3.834 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.724 2.015 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.087 3.658 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.306 1.521 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 966 20.981 2.990 1.652 1.00 0.00 H new ATOM 822 N THR A 967 16.308 0.153 1.314 1.00 0.00 N ATOM 823 CA THR A 967 15.582 -0.993 0.781 1.00 0.00 C ATOM 824 C THR A 967 14.680 -0.583 -0.377 1.00 0.00 C ATOM 825 O THR A 967 13.690 -1.251 -0.673 1.00 0.00 O ATOM 826 CB THR A 967 14.727 -1.671 1.868 1.00 0.00 C ATOM 827 OG1 THR A 967 13.892 -0.701 2.510 1.00 0.00 O ATOM 828 CG2 THR A 967 15.608 -2.353 2.903 1.00 0.00 C ATOM 0 H THR A 967 15.829 0.640 2.072 1.00 0.00 H new ATOM 0 HA THR A 967 16.329 -1.701 0.422 1.00 0.00 H new ATOM 0 HB THR A 967 14.104 -2.427 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 967 13.350 -1.140 3.199 1.00 0.00 H new ATOM 0 HG21 THR A 967 14.982 -2.825 3.660 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.221 -3.111 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.254 -1.613 3.376 1.00 0.00 H new ATOM 836 N GLY A 968 15.030 0.521 -1.032 1.00 0.00 N ATOM 837 CA GLY A 968 14.241 1.001 -2.151 1.00 0.00 C ATOM 838 C GLY A 968 12.800 1.275 -1.770 1.00 0.00 C ATOM 839 O GLY A 968 11.884 1.003 -2.545 1.00 0.00 O ATOM 0 H GLY A 968 15.846 1.091 -0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.690 1.914 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.267 0.263 -2.953 1.00 0.00 H new ATOM 843 N GLU A 969 12.599 1.815 -0.572 1.00 0.00 N ATOM 844 CA GLU A 969 11.258 2.123 -0.089 1.00 0.00 C ATOM 845 C GLU A 969 11.229 3.483 0.603 1.00 0.00 C ATOM 846 O GLU A 969 12.195 3.882 1.253 1.00 0.00 O ATOM 847 CB GLU A 969 10.777 1.037 0.876 1.00 0.00 C ATOM 848 CG GLU A 969 10.077 -0.122 0.187 1.00 0.00 C ATOM 849 CD GLU A 969 9.953 -1.342 1.080 1.00 0.00 C ATOM 850 OE1 GLU A 969 9.595 -1.175 2.264 1.00 0.00 O ATOM 851 OE2 GLU A 969 10.215 -2.462 0.594 1.00 0.00 O ATOM 0 H GLU A 969 13.347 2.048 0.081 1.00 0.00 H new ATOM 0 HA GLU A 969 10.589 2.157 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.631 0.654 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 969 10.096 1.483 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.083 0.195 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 969 10.628 -0.390 -0.714 1.00 0.00 H new ATOM 858 N ALA A 970 10.113 4.191 0.457 1.00 0.00 N ATOM 859 CA ALA A 970 9.957 5.505 1.068 1.00 0.00 C ATOM 860 C ALA A 970 8.495 5.784 1.403 1.00 0.00 C ATOM 861 O ALA A 970 7.590 5.271 0.745 1.00 0.00 O ATOM 862 CB ALA A 970 10.504 6.584 0.147 1.00 0.00 C ATOM 0 H ALA A 970 9.304 3.876 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 970 10.525 5.515 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.381 7.560 0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.563 6.402 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 970 9.961 6.565 -0.798 1.00 0.00 H new ATOM 868 N MET A 971 8.273 6.598 2.429 1.00 0.00 N ATOM 869 CA MET A 971 6.920 6.945 2.850 1.00 0.00 C ATOM 870 C MET A 971 6.709 8.455 2.808 1.00 0.00 C ATOM 871 O MET A 971 7.614 9.228 3.122 1.00 0.00 O ATOM 872 CB MET A 971 6.652 6.419 4.261 1.00 0.00 C ATOM 873 CG MET A 971 6.207 4.966 4.294 1.00 0.00 C ATOM 874 SD MET A 971 5.407 4.520 5.847 1.00 0.00 S ATOM 875 CE MET A 971 4.645 2.962 5.399 1.00 0.00 C ATOM 0 H MET A 971 9.012 7.030 2.984 1.00 0.00 H new ATOM 0 HA MET A 971 6.219 6.479 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.558 6.527 4.858 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.886 7.036 4.730 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.519 4.782 3.469 1.00 0.00 H new ATOM 0 HG3 MET A 971 7.072 4.321 4.137 1.00 0.00 H new ATOM 0 HE1 MET A 971 4.247 2.481 6.293 1.00 0.00 H new ATOM 0 HE2 MET A 971 3.834 3.143 4.693 1.00 0.00 H new ATOM 0 HE3 MET A 971 5.389 2.312 4.938 1.00 0.00 H new ATOM 885 N VAL A 972 5.507 8.869 2.419 1.00 0.00 N ATOM 886 CA VAL A 972 5.176 10.287 2.337 1.00 0.00 C ATOM 887 C VAL A 972 3.781 10.558 2.886 1.00 0.00 C ATOM 888 O VAL A 972 2.958 9.650 2.996 1.00 0.00 O ATOM 889 CB VAL A 972 5.253 10.798 0.886 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.698 10.849 0.413 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.414 9.922 -0.032 1.00 0.00 C ATOM 0 H VAL A 972 4.746 8.243 2.156 1.00 0.00 H new ATOM 0 HA VAL A 972 5.911 10.819 2.941 1.00 0.00 H new ATOM 0 HB VAL A 972 4.850 11.810 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.732 11.212 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.267 11.521 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.131 9.850 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.480 10.297 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.786 8.898 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.375 9.942 0.296 1.00 0.00 H new ATOM 901 N ALA A 973 3.520 11.815 3.231 1.00 0.00 N ATOM 902 CA ALA A 973 2.223 12.207 3.767 1.00 0.00 C ATOM 903 C ALA A 973 1.601 13.326 2.937 1.00 0.00 C ATOM 904 O ALA A 973 2.309 14.123 2.322 1.00 0.00 O ATOM 905 CB ALA A 973 2.361 12.640 5.219 1.00 0.00 C ATOM 0 H ALA A 973 4.190 12.579 3.149 1.00 0.00 H new ATOM 0 HA ALA A 973 1.561 11.342 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.384 12.930 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.755 11.813 5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 973 3.043 13.488 5.283 1.00 0.00 H new ATOM 911 N PHE A 974 0.273 13.378 2.923 1.00 0.00 N ATOM 912 CA PHE A 974 -0.444 14.397 2.167 1.00 0.00 C ATOM 913 C PHE A 974 -1.555 15.018 3.009 1.00 0.00 C ATOM 914 O PHE A 974 -2.260 14.319 3.736 1.00 0.00 O ATOM 915 CB PHE A 974 -1.032 13.796 0.889 1.00 0.00 C ATOM 916 CG PHE A 974 -0.049 13.712 -0.243 1.00 0.00 C ATOM 917 CD1 PHE A 974 0.849 12.660 -0.322 1.00 0.00 C ATOM 918 CD2 PHE A 974 -0.022 14.686 -1.228 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.756 12.582 -1.362 1.00 0.00 C ATOM 920 CE2 PHE A 974 0.882 14.613 -2.271 1.00 0.00 C ATOM 921 CZ PHE A 974 1.772 13.559 -2.338 1.00 0.00 C ATOM 0 H PHE A 974 -0.328 12.726 3.427 1.00 0.00 H new ATOM 0 HA PHE A 974 0.265 15.180 1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.408 12.797 1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.886 14.396 0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 974 0.840 11.892 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.716 15.512 -1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.452 11.758 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 974 0.892 15.379 -3.032 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.479 13.499 -3.152 1.00 0.00 H new ATOM 931 N GLU A 975 -1.704 16.335 2.904 1.00 0.00 N ATOM 932 CA GLU A 975 -2.728 17.050 3.656 1.00 0.00 C ATOM 933 C GLU A 975 -4.114 16.781 3.079 1.00 0.00 C ATOM 934 O GLU A 975 -5.101 16.714 3.811 1.00 0.00 O ATOM 935 CB GLU A 975 -2.442 18.553 3.648 1.00 0.00 C ATOM 936 CG GLU A 975 -1.114 18.924 4.288 1.00 0.00 C ATOM 937 CD GLU A 975 -1.040 20.389 4.671 1.00 0.00 C ATOM 938 OE1 GLU A 975 -1.555 20.746 5.751 1.00 0.00 O ATOM 939 OE2 GLU A 975 -0.469 21.178 3.890 1.00 0.00 O ATOM 0 H GLU A 975 -1.129 16.928 2.306 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.706 16.689 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.452 18.911 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.245 19.070 4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.960 18.312 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.304 18.692 3.596 1.00 0.00 H new ATOM 946 N SER A 976 -4.180 16.630 1.760 1.00 0.00 N ATOM 947 CA SER A 976 -5.446 16.373 1.082 1.00 0.00 C ATOM 948 C SER A 976 -5.482 14.956 0.517 1.00 0.00 C ATOM 949 O SER A 976 -4.556 14.527 -0.171 1.00 0.00 O ATOM 950 CB SER A 976 -5.662 17.388 -0.041 1.00 0.00 C ATOM 951 OG SER A 976 -7.026 17.447 -0.421 1.00 0.00 O ATOM 0 H SER A 976 -3.372 16.681 1.139 1.00 0.00 H new ATOM 0 HA SER A 976 -6.248 16.474 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 976 -5.330 18.373 0.286 1.00 0.00 H new ATOM 0 HB3 SER A 976 -5.053 17.116 -0.903 1.00 0.00 H new ATOM 0 HG SER A 976 -7.094 17.757 -1.348 1.00 0.00 H new ATOM 957 N ARG A 977 -6.558 14.235 0.813 1.00 0.00 N ATOM 958 CA ARG A 977 -6.716 12.867 0.336 1.00 0.00 C ATOM 959 C ARG A 977 -6.790 12.827 -1.188 1.00 0.00 C ATOM 960 O ARG A 977 -6.160 11.985 -1.828 1.00 0.00 O ATOM 961 CB ARG A 977 -7.975 12.237 0.935 1.00 0.00 C ATOM 962 CG ARG A 977 -8.141 10.765 0.593 1.00 0.00 C ATOM 963 CD ARG A 977 -9.237 10.120 1.427 1.00 0.00 C ATOM 964 NE ARG A 977 -10.570 10.462 0.938 1.00 0.00 N ATOM 965 CZ ARG A 977 -11.042 10.075 -0.242 1.00 0.00 C ATOM 966 NH1 ARG A 977 -10.293 9.335 -1.049 1.00 0.00 N ATOM 967 NH2 ARG A 977 -12.265 10.426 -0.616 1.00 0.00 N ATOM 0 H ARG A 977 -7.334 14.576 1.381 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.845 12.295 0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -7.946 12.349 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.849 12.784 0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -8.379 10.661 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -7.199 10.243 0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -9.113 9.037 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.138 10.439 2.464 1.00 0.00 H new ATOM 0 HE ARG A 977 -11.172 11.029 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -9.352 9.062 -0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -10.658 9.039 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -12.844 10.994 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -12.626 10.128 -1.522 1.00 0.00 H new ATOM 981 N ASP A 978 -7.564 13.742 -1.761 1.00 0.00 N ATOM 982 CA ASP A 978 -7.720 13.813 -3.209 1.00 0.00 C ATOM 983 C ASP A 978 -6.368 13.985 -3.894 1.00 0.00 C ATOM 984 O ASP A 978 -6.130 13.430 -4.966 1.00 0.00 O ATOM 985 CB ASP A 978 -8.649 14.968 -3.588 1.00 0.00 C ATOM 986 CG ASP A 978 -10.102 14.667 -3.281 1.00 0.00 C ATOM 987 OD1 ASP A 978 -10.714 13.871 -4.025 1.00 0.00 O ATOM 988 OD2 ASP A 978 -10.629 15.226 -2.296 1.00 0.00 O ATOM 0 H ASP A 978 -8.093 14.445 -1.245 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.162 12.876 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -8.346 15.866 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.542 15.182 -4.651 1.00 0.00 H new ATOM 993 N GLU A 979 -5.487 14.758 -3.268 1.00 0.00 N ATOM 994 CA GLU A 979 -4.160 15.005 -3.819 1.00 0.00 C ATOM 995 C GLU A 979 -3.322 13.730 -3.809 1.00 0.00 C ATOM 996 O GLU A 979 -2.707 13.371 -4.814 1.00 0.00 O ATOM 997 CB GLU A 979 -3.449 16.102 -3.024 1.00 0.00 C ATOM 998 CG GLU A 979 -3.838 17.509 -3.445 1.00 0.00 C ATOM 999 CD GLU A 979 -5.330 17.658 -3.673 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -5.792 17.347 -4.791 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -6.034 18.086 -2.735 1.00 0.00 O ATOM 0 H GLU A 979 -5.668 15.224 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.278 15.334 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.672 15.974 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.372 15.982 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -3.519 18.215 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -3.306 17.771 -4.360 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.302 13.050 -2.668 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.541 11.815 -2.527 1.00 0.00 C ATOM 1010 C ALA A 980 -2.917 10.812 -3.612 1.00 0.00 C ATOM 1011 O ALA A 980 -2.049 10.238 -4.270 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.764 11.212 -1.148 1.00 0.00 C ATOM 0 H ALA A 980 -3.805 13.334 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.484 12.054 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.190 10.290 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.439 11.919 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.823 10.994 -1.013 1.00 0.00 H new ATOM 1018 N THR A 981 -4.218 10.604 -3.794 1.00 0.00 N ATOM 1019 CA THR A 981 -4.709 9.669 -4.798 1.00 0.00 C ATOM 1020 C THR A 981 -4.307 10.107 -6.202 1.00 0.00 C ATOM 1021 O THR A 981 -3.878 9.292 -7.018 1.00 0.00 O ATOM 1022 CB THR A 981 -6.242 9.531 -4.735 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.671 9.446 -3.372 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.706 8.298 -5.495 1.00 0.00 C ATOM 0 H THR A 981 -4.950 11.071 -3.259 1.00 0.00 H new ATOM 0 HA THR A 981 -4.255 8.703 -4.578 1.00 0.00 H new ATOM 0 HB THR A 981 -6.683 10.413 -5.200 1.00 0.00 H new ATOM 0 HG1 THR A 981 -7.647 9.360 -3.341 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.792 8.222 -5.436 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.404 8.379 -6.539 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.255 7.408 -5.055 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.447 11.400 -6.476 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.095 11.947 -7.780 1.00 0.00 C ATOM 1034 C ALA A 982 -2.607 11.773 -8.065 1.00 0.00 C ATOM 1035 O ALA A 982 -2.218 11.368 -9.160 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.482 13.416 -7.858 1.00 0.00 C ATOM 0 H ALA A 982 -4.802 12.088 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.650 11.396 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.213 13.812 -8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.557 13.518 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.954 13.973 -7.084 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.779 12.084 -7.073 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.334 11.961 -7.217 1.00 0.00 C ATOM 1044 C ALA A 983 0.069 10.517 -7.490 1.00 0.00 C ATOM 1045 O ALA A 983 0.879 10.244 -8.376 1.00 0.00 O ATOM 1046 CB ALA A 983 0.367 12.481 -5.970 1.00 0.00 C ATOM 0 H ALA A 983 -2.085 12.423 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 983 -0.026 12.564 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.446 12.383 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.113 13.530 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.045 11.903 -5.104 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.500 9.593 -6.722 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.199 8.175 -6.882 1.00 0.00 C ATOM 1054 C VAL A 984 -0.599 7.681 -8.267 1.00 0.00 C ATOM 1055 O VAL A 984 0.192 7.043 -8.963 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.919 7.325 -5.818 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.788 5.844 -6.139 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.371 7.630 -4.432 1.00 0.00 C ATOM 0 H VAL A 984 -1.172 9.801 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 984 0.878 8.064 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 984 -1.978 7.582 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.303 5.260 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -1.233 5.642 -7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.266 5.568 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -0.891 7.021 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.695 7.403 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.524 8.685 -4.205 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.832 7.980 -8.663 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.337 7.568 -9.967 1.00 0.00 C ATOM 1070 C ILE A 985 -1.513 8.180 -11.094 1.00 0.00 C ATOM 1071 O ILE A 985 -1.089 7.483 -12.016 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.813 7.966 -10.150 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.668 7.373 -9.028 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.321 7.506 -11.509 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.962 8.120 -8.795 1.00 0.00 C ATOM 0 H ILE A 985 -2.500 8.506 -8.099 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.254 6.482 -10.009 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.889 9.052 -10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.896 6.334 -9.266 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.089 7.369 -8.105 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.366 7.795 -11.624 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.728 7.972 -12.296 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.234 6.422 -11.582 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.516 7.644 -7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.742 9.153 -8.526 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.561 8.102 -9.705 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.287 9.487 -11.012 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.511 10.194 -12.024 1.00 0.00 C ATOM 1089 C ASP A 986 0.963 9.806 -11.947 1.00 0.00 C ATOM 1090 O ASP A 986 1.707 9.957 -12.917 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.663 11.706 -11.850 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.894 12.248 -12.551 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -2.980 12.235 -11.936 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.771 12.683 -13.715 1.00 0.00 O ATOM 0 H ASP A 986 -1.630 10.078 -10.255 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.893 9.909 -13.004 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.719 11.943 -10.788 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.224 12.205 -12.241 1.00 0.00 H new ATOM 1099 N LEU A 987 1.378 9.308 -10.788 1.00 0.00 N ATOM 1100 CA LEU A 987 2.763 8.900 -10.583 1.00 0.00 C ATOM 1101 C LEU A 987 2.850 7.414 -10.248 1.00 0.00 C ATOM 1102 O LEU A 987 3.789 6.970 -9.589 1.00 0.00 O ATOM 1103 CB LEU A 987 3.398 9.724 -9.462 1.00 0.00 C ATOM 1104 CG LEU A 987 3.215 11.239 -9.557 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.554 11.902 -8.230 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.073 11.812 -10.675 1.00 0.00 C ATOM 0 H LEU A 987 0.775 9.177 -9.976 1.00 0.00 H new ATOM 0 HA LEU A 987 3.308 9.077 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 987 2.984 9.387 -8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.466 9.508 -9.439 1.00 0.00 H new ATOM 0 HG LEU A 987 2.170 11.445 -9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.418 12.980 -8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 987 2.897 11.515 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.590 11.687 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 987 3.929 12.891 -10.727 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.122 11.595 -10.476 1.00 0.00 H new ATOM 0 HD23 LEU A 987 3.783 11.361 -11.624 1.00 0.00 H new ATOM 1118 N ASN A 988 1.864 6.651 -10.709 1.00 0.00 N ATOM 1119 CA ASN A 988 1.829 5.214 -10.460 1.00 0.00 C ATOM 1120 C ASN A 988 2.572 4.454 -11.554 1.00 0.00 C ATOM 1121 O ASN A 988 2.224 4.542 -12.732 1.00 0.00 O ATOM 1122 CB ASN A 988 0.382 4.725 -10.377 1.00 0.00 C ATOM 1123 CG ASN A 988 0.252 3.248 -10.694 1.00 0.00 C ATOM 1124 OD1 ASN A 988 -0.155 2.871 -11.793 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.598 2.403 -9.729 1.00 0.00 N ATOM 0 H ASN A 988 1.079 7.003 -11.257 1.00 0.00 H new ATOM 0 HA ASN A 988 2.325 5.023 -9.508 1.00 0.00 H new ATOM 0 HB2 ASN A 988 -0.006 4.915 -9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.233 5.298 -11.071 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.531 1.397 -9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.930 2.760 -8.833 1.00 0.00 H new ATOM 1132 N ASP A 989 3.597 3.708 -11.157 1.00 0.00 N ATOM 1133 CA ASP A 989 4.389 2.931 -12.104 1.00 0.00 C ATOM 1134 C ASP A 989 5.286 3.840 -12.937 1.00 0.00 C ATOM 1135 O ASP A 989 5.472 3.618 -14.134 1.00 0.00 O ATOM 1136 CB ASP A 989 3.474 2.117 -13.020 1.00 0.00 C ATOM 1137 CG ASP A 989 4.153 0.875 -13.561 1.00 0.00 C ATOM 1138 OD1 ASP A 989 4.951 0.264 -12.820 1.00 0.00 O ATOM 1139 OD2 ASP A 989 3.886 0.512 -14.726 1.00 0.00 O ATOM 0 H ASP A 989 3.899 3.625 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 989 5.022 2.248 -11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.579 1.828 -12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 989 3.149 2.742 -13.852 1.00 0.00 H new ATOM 1144 N ARG A 990 5.839 4.866 -12.297 1.00 0.00 N ATOM 1145 CA ARG A 990 6.714 5.810 -12.980 1.00 0.00 C ATOM 1146 C ARG A 990 8.146 5.286 -13.031 1.00 0.00 C ATOM 1147 O ARG A 990 8.719 4.874 -12.022 1.00 0.00 O ATOM 1148 CB ARG A 990 6.682 7.169 -12.277 1.00 0.00 C ATOM 1149 CG ARG A 990 5.474 8.015 -12.643 1.00 0.00 C ATOM 1150 CD ARG A 990 5.746 8.874 -13.868 1.00 0.00 C ATOM 1151 NE ARG A 990 5.564 8.129 -15.110 1.00 0.00 N ATOM 1152 CZ ARG A 990 5.738 8.657 -16.316 1.00 0.00 C ATOM 1153 NH1 ARG A 990 6.097 9.927 -16.442 1.00 0.00 N ATOM 1154 NH2 ARG A 990 5.554 7.914 -17.400 1.00 0.00 N ATOM 0 H ARG A 990 5.696 5.064 -11.307 1.00 0.00 H new ATOM 0 HA ARG A 990 6.352 5.928 -14.001 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.691 7.011 -11.199 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.589 7.719 -12.526 1.00 0.00 H new ATOM 0 HG2 ARG A 990 4.619 7.367 -12.834 1.00 0.00 H new ATOM 0 HG3 ARG A 990 5.207 8.654 -11.801 1.00 0.00 H new ATOM 0 HD2 ARG A 990 5.079 9.736 -13.861 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.765 9.259 -13.822 1.00 0.00 H new ATOM 0 HE ARG A 990 5.288 7.149 -15.048 1.00 0.00 H new ATOM 0 HH11 ARG A 990 6.240 10.501 -15.611 1.00 0.00 H new ATOM 0 HH12 ARG A 990 6.230 10.330 -17.370 1.00 0.00 H new ATOM 0 HH21 ARG A 990 5.279 6.936 -17.307 1.00 0.00 H new ATOM 0 HH22 ARG A 990 5.688 8.321 -18.326 1.00 0.00 H new ATOM 1168 N PRO A 991 8.740 5.300 -14.234 1.00 0.00 N ATOM 1169 CA PRO A 991 10.112 4.829 -14.445 1.00 0.00 C ATOM 1170 C PRO A 991 11.146 5.755 -13.815 1.00 0.00 C ATOM 1171 O PRO A 991 11.659 6.664 -14.469 1.00 0.00 O ATOM 1172 CB PRO A 991 10.255 4.825 -15.969 1.00 0.00 C ATOM 1173 CG PRO A 991 9.270 5.837 -16.444 1.00 0.00 C ATOM 1174 CD PRO A 991 8.117 5.777 -15.480 1.00 0.00 C ATOM 0 HA PRO A 991 10.284 3.856 -13.985 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.269 5.086 -16.272 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.042 3.840 -16.384 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.712 6.833 -16.462 1.00 0.00 H new ATOM 0 HG3 PRO A 991 8.942 5.615 -17.459 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.652 6.754 -15.348 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.339 5.097 -15.826 1.00 0.00 H new ATOM 1182 N ILE A 992 11.448 5.519 -12.543 1.00 0.00 N ATOM 1183 CA ILE A 992 12.423 6.331 -11.826 1.00 0.00 C ATOM 1184 C ILE A 992 13.844 5.843 -12.086 1.00 0.00 C ATOM 1185 O ILE A 992 14.139 4.657 -11.948 1.00 0.00 O ATOM 1186 CB ILE A 992 12.158 6.320 -10.309 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.960 7.209 -9.971 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.395 6.779 -9.552 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.719 7.361 -8.486 1.00 0.00 C ATOM 0 H ILE A 992 11.031 4.772 -11.988 1.00 0.00 H new ATOM 0 HA ILE A 992 12.318 7.350 -12.198 1.00 0.00 H new ATOM 0 HB ILE A 992 11.926 5.300 -10.004 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.115 8.195 -10.408 1.00 0.00 H new ATOM 0 HG13 ILE A 992 10.066 6.792 -10.435 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.192 6.766 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.226 6.109 -9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.655 7.792 -9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.854 8.004 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.532 6.382 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.597 7.807 -8.019 1.00 0.00 H new ATOM 1201 N GLY A 993 14.722 6.768 -12.463 1.00 0.00 N ATOM 1202 CA GLY A 993 16.103 6.413 -12.735 1.00 0.00 C ATOM 1203 C GLY A 993 16.226 5.337 -13.796 1.00 0.00 C ATOM 1204 O GLY A 993 16.280 5.635 -14.989 1.00 0.00 O ATOM 0 H GLY A 993 14.502 7.756 -12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.647 7.301 -13.058 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.574 6.067 -11.815 1.00 0.00 H new ATOM 1208 N SER A 994 16.273 4.082 -13.361 1.00 0.00 N ATOM 1209 CA SER A 994 16.396 2.958 -14.282 1.00 0.00 C ATOM 1210 C SER A 994 15.389 1.863 -13.942 1.00 0.00 C ATOM 1211 O SER A 994 15.326 0.833 -14.612 1.00 0.00 O ATOM 1212 CB SER A 994 17.817 2.391 -14.240 1.00 0.00 C ATOM 1213 OG SER A 994 18.126 1.884 -12.954 1.00 0.00 O ATOM 0 H SER A 994 16.228 3.818 -12.377 1.00 0.00 H new ATOM 0 HA SER A 994 16.186 3.320 -15.288 1.00 0.00 H new ATOM 0 HB2 SER A 994 17.917 1.598 -14.981 1.00 0.00 H new ATOM 0 HB3 SER A 994 18.531 3.170 -14.508 1.00 0.00 H new ATOM 0 HG SER A 994 19.038 1.526 -12.954 1.00 0.00 H new ATOM 1219 N ARG A 995 14.604 2.096 -12.895 1.00 0.00 N ATOM 1220 CA ARG A 995 13.600 1.130 -12.464 1.00 0.00 C ATOM 1221 C ARG A 995 12.250 1.808 -12.250 1.00 0.00 C ATOM 1222 O ARG A 995 12.167 3.032 -12.149 1.00 0.00 O ATOM 1223 CB ARG A 995 14.047 0.440 -11.174 1.00 0.00 C ATOM 1224 CG ARG A 995 15.452 -0.137 -11.247 1.00 0.00 C ATOM 1225 CD ARG A 995 15.683 -1.179 -10.164 1.00 0.00 C ATOM 1226 NE ARG A 995 16.644 -2.196 -10.580 1.00 0.00 N ATOM 1227 CZ ARG A 995 16.893 -3.301 -9.885 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.253 -3.529 -8.746 1.00 0.00 N ATOM 1229 NH2 ARG A 995 17.782 -4.180 -10.329 1.00 0.00 N ATOM 0 H ARG A 995 14.644 2.944 -12.330 1.00 0.00 H new ATOM 0 HA ARG A 995 13.491 0.382 -13.249 1.00 0.00 H new ATOM 0 HB2 ARG A 995 14.000 1.156 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.346 -0.361 -10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.611 -0.587 -12.227 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.182 0.666 -11.143 1.00 0.00 H new ATOM 0 HD2 ARG A 995 16.043 -0.688 -9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 995 14.736 -1.656 -9.912 1.00 0.00 H new ATOM 0 HE ARG A 995 17.152 -2.050 -11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 995 15.568 -2.856 -8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 995 16.445 -4.378 -8.214 1.00 0.00 H new ATOM 0 HH21 ARG A 995 18.276 -4.008 -11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 995 17.972 -5.028 -9.794 1.00 0.00 H new ATOM 1243 N LYS A 996 11.194 1.004 -12.182 1.00 0.00 N ATOM 1244 CA LYS A 996 9.848 1.524 -11.979 1.00 0.00 C ATOM 1245 C LYS A 996 9.478 1.514 -10.499 1.00 0.00 C ATOM 1246 O LYS A 996 9.857 0.605 -9.761 1.00 0.00 O ATOM 1247 CB LYS A 996 8.834 0.698 -12.774 1.00 0.00 C ATOM 1248 CG LYS A 996 9.040 0.766 -14.278 1.00 0.00 C ATOM 1249 CD LYS A 996 8.245 -0.310 -14.999 1.00 0.00 C ATOM 1250 CE LYS A 996 8.175 -0.043 -16.495 1.00 0.00 C ATOM 1251 NZ LYS A 996 7.223 -0.962 -17.178 1.00 0.00 N ATOM 0 H LYS A 996 11.245 -0.011 -12.265 1.00 0.00 H new ATOM 0 HA LYS A 996 9.827 2.554 -12.334 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.895 -0.342 -12.454 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.829 1.046 -12.537 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.739 1.748 -14.643 1.00 0.00 H new ATOM 0 HG3 LYS A 996 10.100 0.651 -14.507 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.704 -1.283 -14.823 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.236 -0.355 -14.589 1.00 0.00 H new ATOM 0 HE2 LYS A 996 7.869 0.989 -16.666 1.00 0.00 H new ATOM 0 HE3 LYS A 996 9.167 -0.158 -16.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 7.204 -0.748 -18.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 7.528 -1.946 -17.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 6.271 -0.834 -16.779 1.00 0.00 H new ATOM 1265 N VAL A 997 8.734 2.530 -10.073 1.00 0.00 N ATOM 1266 CA VAL A 997 8.311 2.637 -8.682 1.00 0.00 C ATOM 1267 C VAL A 997 6.822 2.340 -8.536 1.00 0.00 C ATOM 1268 O VAL A 997 6.039 2.571 -9.457 1.00 0.00 O ATOM 1269 CB VAL A 997 8.602 4.038 -8.112 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.071 4.166 -7.736 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.203 5.112 -9.112 1.00 0.00 C ATOM 0 H VAL A 997 8.412 3.291 -10.671 1.00 0.00 H new ATOM 0 HA VAL A 997 8.883 1.899 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 997 8.007 4.176 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.259 5.162 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.320 3.419 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.688 4.009 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.415 6.096 -8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.770 4.980 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.137 5.031 -9.327 1.00 0.00 H new ATOM 1281 N LYS A 998 6.438 1.828 -7.372 1.00 0.00 N ATOM 1282 CA LYS A 998 5.043 1.501 -7.103 1.00 0.00 C ATOM 1283 C LYS A 998 4.502 2.335 -5.946 1.00 0.00 C ATOM 1284 O LYS A 998 5.096 2.379 -4.868 1.00 0.00 O ATOM 1285 CB LYS A 998 4.899 0.012 -6.782 1.00 0.00 C ATOM 1286 CG LYS A 998 3.552 -0.569 -7.177 1.00 0.00 C ATOM 1287 CD LYS A 998 2.485 -0.256 -6.141 1.00 0.00 C ATOM 1288 CE LYS A 998 1.145 -0.869 -6.519 1.00 0.00 C ATOM 1289 NZ LYS A 998 0.562 -0.224 -7.728 1.00 0.00 N ATOM 0 H LYS A 998 7.074 1.630 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 998 4.463 1.732 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.687 -0.539 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.050 -0.137 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.251 -0.167 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.641 -1.649 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.798 -0.635 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.377 0.824 -6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 998 1.272 -1.936 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 998 0.451 -0.769 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 -0.401 -0.585 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 0.527 0.806 -7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.152 -0.442 -8.556 1.00 0.00 H new ATOM 1303 N LEU A 999 3.372 2.995 -6.176 1.00 0.00 N ATOM 1304 CA LEU A 999 2.750 3.826 -5.151 1.00 0.00 C ATOM 1305 C LEU A 999 1.435 3.215 -4.678 1.00 0.00 C ATOM 1306 O LEU A 999 0.582 2.849 -5.487 1.00 0.00 O ATOM 1307 CB LEU A 999 2.505 5.236 -5.691 1.00 0.00 C ATOM 1308 CG LEU A 999 3.753 6.049 -6.038 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.398 7.205 -6.960 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.424 6.561 -4.772 1.00 0.00 C ATOM 0 H LEU A 999 2.868 2.971 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 999 3.430 3.881 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.886 5.158 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.928 5.791 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 999 4.454 5.398 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.299 7.772 -7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.963 6.816 -7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.678 7.857 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.310 7.137 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.729 7.196 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.714 5.716 -4.147 1.00 0.00 H new ATOM 1322 N VAL A1000 1.276 3.110 -3.363 1.00 0.00 N ATOM 1323 CA VAL A1000 0.064 2.547 -2.781 1.00 0.00 C ATOM 1324 C VAL A1000 -0.475 3.435 -1.666 1.00 0.00 C ATOM 1325 O VAL A1000 0.283 3.930 -0.830 1.00 0.00 O ATOM 1326 CB VAL A1000 0.314 1.134 -2.221 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.979 0.531 -1.694 1.00 0.00 C ATOM 1328 CG2 VAL A1000 0.933 0.241 -3.286 1.00 0.00 C ATOM 0 H VAL A1000 1.972 3.408 -2.680 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.673 2.488 -3.582 1.00 0.00 H new ATOM 0 HB VAL A1000 1.016 1.211 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.782 -0.467 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.376 1.161 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.707 0.466 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.103 -0.753 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.257 0.169 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A1000 1.883 0.666 -3.610 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.788 3.634 -1.658 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.430 4.463 -0.644 1.00 0.00 C ATOM 1340 C LEU A1001 -2.355 3.802 0.729 1.00 0.00 C ATOM 1341 O LEU A1001 -2.226 2.583 0.836 1.00 0.00 O ATOM 1342 CB LEU A1001 -3.891 4.722 -1.018 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.142 5.885 -1.978 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.521 5.769 -2.608 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -3.996 7.215 -1.253 1.00 0.00 C ATOM 0 H LEU A1001 -2.429 3.233 -2.342 1.00 0.00 H new ATOM 0 HA LEU A1001 -1.898 5.414 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.297 3.814 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.453 4.906 -0.102 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.397 5.842 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.682 6.605 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.591 4.833 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.281 5.786 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.178 8.032 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.718 7.266 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -2.987 7.301 -0.849 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.437 4.615 1.777 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.378 4.091 3.129 1.00 0.00 C ATOM 1359 C GLY A1002 -3.705 3.519 3.588 1.00 0.00 C ATOM 1360 O GLY A1002 -4.095 3.687 4.743 1.00 0.00 O ATOM 0 H GLY A1002 -2.543 5.628 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.614 3.315 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -2.073 4.885 3.810 1.00 0.00 H new ATOM 1364 N SER A1003 -4.401 2.842 2.680 1.00 0.00 N ATOM 1365 CA SER A1003 -5.694 2.247 2.996 1.00 0.00 C ATOM 1366 C SER A1003 -6.461 3.112 3.992 1.00 0.00 C ATOM 1367 O SER A1003 -6.880 2.639 5.047 1.00 0.00 O ATOM 1368 CB SER A1003 -5.507 0.839 3.563 1.00 0.00 C ATOM 1369 OG SER A1003 -6.754 0.185 3.725 1.00 0.00 O ATOM 0 H SER A1003 -4.091 2.692 1.720 1.00 0.00 H new ATOM 0 HA SER A1003 -6.273 2.185 2.074 1.00 0.00 H new ATOM 0 HB2 SER A1003 -4.871 0.257 2.896 1.00 0.00 H new ATOM 0 HB3 SER A1003 -4.995 0.895 4.523 1.00 0.00 H new ATOM 0 HG SER A1003 -7.324 0.711 4.324 1.00 0.00 H new ATOM 1375 N GLY A1004 -6.640 4.384 3.647 1.00 0.00 N ATOM 1376 CA GLY A1004 -7.355 5.296 4.521 1.00 0.00 C ATOM 1377 C GLY A1004 -6.621 5.546 5.824 1.00 0.00 C ATOM 1378 O GLY A1004 -5.425 5.281 5.948 1.00 0.00 O ATOM 0 H GLY A1004 -6.303 4.799 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A1004 -7.507 6.244 4.005 1.00 0.00 H new ATOM 0 HA3 GLY A1004 -8.343 4.889 4.736 1.00 0.00 H new ATOM 1382 N PRO A1005 -7.345 6.071 6.824 1.00 0.00 N ATOM 1383 CA PRO A1005 -8.769 6.391 6.687 1.00 0.00 C ATOM 1384 C PRO A1005 -9.010 7.577 5.759 1.00 0.00 C ATOM 1385 O PRO A1005 -8.153 8.449 5.616 1.00 0.00 O ATOM 1386 CB PRO A1005 -9.194 6.735 8.117 1.00 0.00 C ATOM 1387 CG PRO A1005 -7.942 7.190 8.785 1.00 0.00 C ATOM 1388 CD PRO A1005 -6.828 6.393 8.165 1.00 0.00 C ATOM 0 HA PRO A1005 -9.332 5.568 6.247 1.00 0.00 H new ATOM 0 HB2 PRO A1005 -9.954 7.516 8.127 1.00 0.00 H new ATOM 0 HB3 PRO A1005 -9.620 5.869 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A1005 -7.787 8.259 8.636 1.00 0.00 H new ATOM 0 HG3 PRO A1005 -7.990 7.021 9.861 1.00 0.00 H new ATOM 0 HD2 PRO A1005 -5.904 6.968 8.112 1.00 0.00 H new ATOM 0 HD3 PRO A1005 -6.611 5.492 8.739 1.00 0.00 H new ATOM 1396 N SER A1006 -10.182 7.603 5.132 1.00 0.00 N ATOM 1397 CA SER A1006 -10.534 8.681 4.216 1.00 0.00 C ATOM 1398 C SER A1006 -11.048 9.898 4.979 1.00 0.00 C ATOM 1399 O SER A1006 -11.315 9.824 6.179 1.00 0.00 O ATOM 1400 CB SER A1006 -11.593 8.206 3.219 1.00 0.00 C ATOM 1401 OG SER A1006 -11.029 7.342 2.248 1.00 0.00 O ATOM 0 H SER A1006 -10.903 6.890 5.242 1.00 0.00 H new ATOM 0 HA SER A1006 -9.635 8.969 3.671 1.00 0.00 H new ATOM 0 HB2 SER A1006 -12.391 7.688 3.751 1.00 0.00 H new ATOM 0 HB3 SER A1006 -12.045 9.067 2.726 1.00 0.00 H new ATOM 0 HG SER A1006 -11.727 7.051 1.624 1.00 0.00 H new ATOM 1407 N SER A1007 -11.182 11.017 4.275 1.00 0.00 N ATOM 1408 CA SER A1007 -11.660 12.252 4.887 1.00 0.00 C ATOM 1409 C SER A1007 -12.958 12.715 4.233 1.00 0.00 C ATOM 1410 O SER A1007 -13.988 12.844 4.894 1.00 0.00 O ATOM 1411 CB SER A1007 -10.598 13.347 4.771 1.00 0.00 C ATOM 1412 OG SER A1007 -10.768 14.330 5.777 1.00 0.00 O ATOM 0 H SER A1007 -10.967 11.094 3.281 1.00 0.00 H new ATOM 0 HA SER A1007 -11.855 12.055 5.941 1.00 0.00 H new ATOM 0 HB2 SER A1007 -9.605 12.905 4.854 1.00 0.00 H new ATOM 0 HB3 SER A1007 -10.658 13.814 3.788 1.00 0.00 H new ATOM 0 HG SER A1007 -10.076 15.018 5.683 1.00 0.00 H new ATOM 1418 N GLY A1008 -12.901 12.963 2.928 1.00 0.00 N ATOM 1419 CA GLY A1008 -14.077 13.409 2.205 1.00 0.00 C ATOM 1420 C GLY A1008 -15.355 12.796 2.741 1.00 0.00 C ATOM 1421 O GLY A1008 -16.022 12.029 2.047 1.00 0.00 O ATOM 0 H GLY A1008 -12.061 12.863 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A1008 -14.146 14.495 2.265 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -13.970 13.154 1.151 1.00 0.00 H new TER 1425 GLY A1008