USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 Single : A 741 SER OG : rot 17:sc= 0.147 USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 750 TYR OH : rot 150:sc= -1.21 USER MOD Single : A 758 THR OG1 : rot -98:sc= -0.248 USER MOD Single : A 760 SER OG : rot -107:sc= -2.27! USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 769 GLN : amide:sc= -2.03 K(o=-2,f=-0.49) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 776 TYR OH : rot 180:sc= 0 USER MOD Single : A 777 ASN : amide:sc= -0.0346 K(o=-0.035,f=-1.5!) USER MOD Single : A 782 MET CE :methyl 175:sc= -3.41! (180deg=-3.49!) USER MOD Single : A 786 MET CE :methyl 167:sc= -8.77! (180deg=-9.29!) USER MOD Single : A 788 MET CE :methyl -164:sc= 0 (180deg=-0.378) USER MOD Single : A 793 THR OG1 : rot 168:sc= -1.28 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= 0.87 K(o=0.87,f=-1.8!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.7!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 740 14.882 2.065 11.972 1.00 0.00 N ATOM 2 CA GLY A 740 14.239 0.726 12.055 1.00 0.00 C ATOM 3 C GLY A 740 12.728 0.800 11.950 1.00 0.00 C ATOM 4 O GLY A 740 12.054 1.221 12.890 1.00 0.00 O ATOM 0 HA2 GLY A 740 14.625 0.091 11.257 1.00 0.00 H new ATOM 0 HA3 GLY A 740 14.512 0.253 12.999 1.00 0.00 H new ATOM 10 N SER A 741 12.196 0.390 10.804 1.00 0.00 N ATOM 11 CA SER A 741 10.755 0.412 10.578 1.00 0.00 C ATOM 12 C SER A 741 10.327 -0.744 9.679 1.00 0.00 C ATOM 13 O SER A 741 9.449 -1.529 10.035 1.00 0.00 O ATOM 14 CB SER A 741 10.336 1.743 9.951 1.00 0.00 C ATOM 15 OG SER A 741 10.210 2.754 10.937 1.00 0.00 O ATOM 0 H SER A 741 12.741 0.038 10.017 1.00 0.00 H new ATOM 0 HA SER A 741 10.260 0.301 11.543 1.00 0.00 H new ATOM 0 HB2 SER A 741 11.073 2.046 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 741 9.387 1.620 9.429 1.00 0.00 H new ATOM 0 HG SER A 741 10.667 2.471 11.756 1.00 0.00 H new ATOM 21 N GLU A 742 10.956 -0.841 8.513 1.00 0.00 N ATOM 22 CA GLU A 742 10.643 -1.901 7.561 1.00 0.00 C ATOM 23 C GLU A 742 9.178 -1.840 7.137 1.00 0.00 C ATOM 24 O GLU A 742 8.584 -2.857 6.777 1.00 0.00 O ATOM 25 CB GLU A 742 10.958 -3.269 8.169 1.00 0.00 C ATOM 26 CG GLU A 742 11.973 -4.070 7.369 1.00 0.00 C ATOM 27 CD GLU A 742 13.404 -3.684 7.689 1.00 0.00 C ATOM 28 OE1 GLU A 742 13.918 -4.130 8.737 1.00 0.00 O ATOM 29 OE2 GLU A 742 14.009 -2.936 6.894 1.00 0.00 O ATOM 0 H GLU A 742 11.686 -0.199 8.204 1.00 0.00 H new ATOM 0 HA GLU A 742 11.261 -1.755 6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 742 11.335 -3.129 9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 742 10.035 -3.843 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 742 11.833 -5.132 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 742 11.790 -3.922 6.305 1.00 0.00 H new ATOM 36 N GLY A 743 8.601 -0.643 7.180 1.00 0.00 N ATOM 37 CA GLY A 743 7.212 -0.476 6.794 1.00 0.00 C ATOM 38 C GLY A 743 6.329 -0.061 7.954 1.00 0.00 C ATOM 39 O GLY A 743 5.484 -0.832 8.408 1.00 0.00 O ATOM 0 H GLY A 743 9.070 0.213 7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 743 7.146 0.274 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.840 -1.412 6.376 1.00 0.00 H new ATOM 43 N SER A 744 6.520 1.165 8.430 1.00 0.00 N ATOM 44 CA SER A 744 5.729 1.689 9.539 1.00 0.00 C ATOM 45 C SER A 744 5.016 2.968 9.122 1.00 0.00 C ATOM 46 O SER A 744 3.791 3.064 9.192 1.00 0.00 O ATOM 47 CB SER A 744 6.624 1.959 10.751 1.00 0.00 C ATOM 48 OG SER A 744 7.257 0.770 11.192 1.00 0.00 O ATOM 0 H SER A 744 7.216 1.815 8.065 1.00 0.00 H new ATOM 0 HA SER A 744 4.983 0.944 9.813 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.378 2.702 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 744 6.028 2.379 11.561 1.00 0.00 H new ATOM 0 HG SER A 744 7.824 0.969 11.966 1.00 0.00 H new ATOM 54 N GLU A 745 5.799 3.939 8.677 1.00 0.00 N ATOM 55 CA GLU A 745 5.263 5.216 8.227 1.00 0.00 C ATOM 56 C GLU A 745 6.175 5.827 7.175 1.00 0.00 C ATOM 57 O GLU A 745 5.722 6.244 6.109 1.00 0.00 O ATOM 58 CB GLU A 745 5.095 6.181 9.401 1.00 0.00 C ATOM 59 CG GLU A 745 4.246 7.395 9.063 1.00 0.00 C ATOM 60 CD GLU A 745 4.871 8.694 9.535 1.00 0.00 C ATOM 61 OE1 GLU A 745 5.971 9.033 9.053 1.00 0.00 O ATOM 62 OE2 GLU A 745 4.258 9.372 10.386 1.00 0.00 O ATOM 0 H GLU A 745 6.815 3.866 8.617 1.00 0.00 H new ATOM 0 HA GLU A 745 4.282 5.038 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.641 5.650 10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.078 6.515 9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.095 7.439 7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.262 7.283 9.518 1.00 0.00 H new ATOM 69 N ASP A 746 7.466 5.863 7.477 1.00 0.00 N ATOM 70 CA ASP A 746 8.449 6.406 6.551 1.00 0.00 C ATOM 71 C ASP A 746 9.545 5.382 6.273 1.00 0.00 C ATOM 72 O ASP A 746 10.516 5.273 7.022 1.00 0.00 O ATOM 73 CB ASP A 746 9.062 7.688 7.117 1.00 0.00 C ATOM 74 CG ASP A 746 8.318 8.931 6.670 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.845 8.956 5.514 1.00 0.00 O ATOM 76 OD2 ASP A 746 8.209 9.879 7.476 1.00 0.00 O ATOM 0 H ASP A 746 7.856 5.523 8.356 1.00 0.00 H new ATOM 0 HA ASP A 746 7.944 6.641 5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.060 7.639 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.103 7.759 6.803 1.00 0.00 H new ATOM 81 N ASP A 747 9.379 4.643 5.185 1.00 0.00 N ATOM 82 CA ASP A 747 10.343 3.628 4.780 1.00 0.00 C ATOM 83 C ASP A 747 10.857 3.911 3.372 1.00 0.00 C ATOM 84 O ASP A 747 10.096 4.348 2.509 1.00 0.00 O ATOM 85 CB ASP A 747 9.702 2.238 4.833 1.00 0.00 C ATOM 86 CG ASP A 747 10.706 1.124 4.614 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.207 0.994 3.477 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.989 0.382 5.577 1.00 0.00 O ATOM 0 H ASP A 747 8.577 4.729 4.561 1.00 0.00 H new ATOM 0 HA ASP A 747 11.185 3.657 5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.219 2.102 5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.922 2.173 4.075 1.00 0.00 H new ATOM 93 N PRO A 748 12.155 3.661 3.115 1.00 0.00 N ATOM 94 CA PRO A 748 12.764 3.889 1.802 1.00 0.00 C ATOM 95 C PRO A 748 11.853 3.517 0.634 1.00 0.00 C ATOM 96 O PRO A 748 11.981 4.069 -0.458 1.00 0.00 O ATOM 97 CB PRO A 748 13.980 2.970 1.843 1.00 0.00 C ATOM 98 CG PRO A 748 14.401 2.984 3.272 1.00 0.00 C ATOM 99 CD PRO A 748 13.139 3.135 4.085 1.00 0.00 C ATOM 0 HA PRO A 748 12.990 4.942 1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.729 1.962 1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.775 3.331 1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.923 2.063 3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.089 3.807 3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.817 2.182 4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.281 3.819 4.921 1.00 0.00 H new ATOM 107 N LEU A 749 10.942 2.573 0.859 1.00 0.00 N ATOM 108 CA LEU A 749 10.038 2.139 -0.199 1.00 0.00 C ATOM 109 C LEU A 749 8.568 2.365 0.159 1.00 0.00 C ATOM 110 O LEU A 749 7.708 2.358 -0.721 1.00 0.00 O ATOM 111 CB LEU A 749 10.279 0.663 -0.505 1.00 0.00 C ATOM 112 CG LEU A 749 11.650 0.353 -1.106 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.967 -1.128 -0.986 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.700 0.798 -2.559 1.00 0.00 C ATOM 0 H LEU A 749 10.812 2.100 1.753 1.00 0.00 H new ATOM 0 HA LEU A 749 10.250 2.744 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.163 0.091 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.508 0.318 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 749 12.406 0.906 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.947 -1.327 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.971 -1.415 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.211 -1.706 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.682 0.572 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.934 0.270 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.520 1.871 -2.617 1.00 0.00 H new ATOM 126 N TYR A 750 8.270 2.573 1.441 1.00 0.00 N ATOM 127 CA TYR A 750 6.884 2.794 1.852 1.00 0.00 C ATOM 128 C TYR A 750 6.284 3.953 1.083 1.00 0.00 C ATOM 129 O TYR A 750 5.186 3.849 0.555 1.00 0.00 O ATOM 130 CB TYR A 750 6.781 3.049 3.352 1.00 0.00 C ATOM 131 CG TYR A 750 5.378 3.367 3.820 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.501 2.352 4.181 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.935 4.679 3.914 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.230 2.632 4.625 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.660 4.970 4.356 1.00 0.00 C ATOM 136 CZ TYR A 750 2.812 3.941 4.714 1.00 0.00 C ATOM 137 OH TYR A 750 1.541 4.225 5.157 1.00 0.00 O ATOM 0 H TYR A 750 8.953 2.593 2.198 1.00 0.00 H new ATOM 0 HA TYR A 750 6.322 1.888 1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.142 2.171 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.439 3.876 3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.823 1.324 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.598 5.485 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.563 1.829 4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.328 5.996 4.421 1.00 0.00 H new ATOM 0 HH TYR A 750 1.538 5.096 5.606 1.00 0.00 H new ATOM 147 N ASP A 751 7.017 5.053 1.006 1.00 0.00 N ATOM 148 CA ASP A 751 6.543 6.215 0.271 1.00 0.00 C ATOM 149 C ASP A 751 6.156 5.802 -1.144 1.00 0.00 C ATOM 150 O ASP A 751 5.187 6.310 -1.711 1.00 0.00 O ATOM 151 CB ASP A 751 7.622 7.299 0.229 1.00 0.00 C ATOM 152 CG ASP A 751 8.911 6.808 -0.396 1.00 0.00 C ATOM 153 OD1 ASP A 751 9.671 6.094 0.292 1.00 0.00 O ATOM 154 OD2 ASP A 751 9.162 7.136 -1.575 1.00 0.00 O ATOM 0 H ASP A 751 7.934 5.165 1.439 1.00 0.00 H new ATOM 0 HA ASP A 751 5.668 6.622 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 751 7.251 8.155 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 751 7.823 7.647 1.242 1.00 0.00 H new ATOM 159 N GLU A 752 6.910 4.854 -1.701 1.00 0.00 N ATOM 160 CA GLU A 752 6.634 4.347 -3.037 1.00 0.00 C ATOM 161 C GLU A 752 5.368 3.503 -3.029 1.00 0.00 C ATOM 162 O GLU A 752 4.522 3.624 -3.911 1.00 0.00 O ATOM 163 CB GLU A 752 7.816 3.527 -3.558 1.00 0.00 C ATOM 164 CG GLU A 752 8.917 4.372 -4.174 1.00 0.00 C ATOM 165 CD GLU A 752 9.042 4.171 -5.672 1.00 0.00 C ATOM 166 OE1 GLU A 752 9.458 3.071 -6.090 1.00 0.00 O ATOM 167 OE2 GLU A 752 8.722 5.115 -6.425 1.00 0.00 O ATOM 0 H GLU A 752 7.715 4.425 -1.245 1.00 0.00 H new ATOM 0 HA GLU A 752 6.485 5.196 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.233 2.944 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.455 2.817 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.720 5.424 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 752 9.867 4.127 -3.698 1.00 0.00 H new ATOM 174 N ALA A 753 5.246 2.655 -2.014 1.00 0.00 N ATOM 175 CA ALA A 753 4.078 1.794 -1.873 1.00 0.00 C ATOM 176 C ALA A 753 2.821 2.636 -1.710 1.00 0.00 C ATOM 177 O ALA A 753 1.853 2.477 -2.448 1.00 0.00 O ATOM 178 CB ALA A 753 4.248 0.859 -0.684 1.00 0.00 C ATOM 0 H ALA A 753 5.942 2.545 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 753 3.979 1.190 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.368 0.223 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.131 0.237 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.368 1.446 0.226 1.00 0.00 H new ATOM 184 N VAL A 754 2.858 3.543 -0.740 1.00 0.00 N ATOM 185 CA VAL A 754 1.740 4.432 -0.470 1.00 0.00 C ATOM 186 C VAL A 754 1.366 5.218 -1.723 1.00 0.00 C ATOM 187 O VAL A 754 0.188 5.389 -2.030 1.00 0.00 O ATOM 188 CB VAL A 754 2.090 5.396 0.686 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.264 6.672 0.631 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.900 4.698 2.019 1.00 0.00 C ATOM 0 H VAL A 754 3.659 3.680 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 754 0.882 3.829 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 754 3.136 5.682 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.542 7.321 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.452 7.187 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.205 6.423 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.149 5.385 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.862 4.381 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.552 3.826 2.069 1.00 0.00 H new ATOM 200 N ARG A 755 2.378 5.675 -2.454 1.00 0.00 N ATOM 201 CA ARG A 755 2.147 6.420 -3.684 1.00 0.00 C ATOM 202 C ARG A 755 1.588 5.491 -4.754 1.00 0.00 C ATOM 203 O ARG A 755 0.756 5.884 -5.572 1.00 0.00 O ATOM 204 CB ARG A 755 3.451 7.053 -4.173 1.00 0.00 C ATOM 205 CG ARG A 755 3.266 7.998 -5.350 1.00 0.00 C ATOM 206 CD ARG A 755 4.522 8.811 -5.616 1.00 0.00 C ATOM 207 NE ARG A 755 4.769 8.986 -7.044 1.00 0.00 N ATOM 208 CZ ARG A 755 5.770 9.712 -7.541 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.616 10.331 -6.727 1.00 0.00 N ATOM 210 NH2 ARG A 755 5.923 9.820 -8.853 1.00 0.00 N ATOM 0 H ARG A 755 3.361 5.543 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 755 1.426 7.213 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 755 3.912 7.598 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.144 6.262 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.007 7.425 -6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 755 2.432 8.671 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 755 4.428 9.788 -5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.378 8.315 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 755 4.138 8.525 -7.700 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.502 10.252 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.381 10.886 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 755 5.275 9.347 -9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 755 6.689 10.376 -9.233 1.00 0.00 H new ATOM 224 N PHE A 756 2.063 4.252 -4.731 1.00 0.00 N ATOM 225 CA PHE A 756 1.638 3.236 -5.683 1.00 0.00 C ATOM 226 C PHE A 756 0.169 2.867 -5.473 1.00 0.00 C ATOM 227 O PHE A 756 -0.599 2.779 -6.431 1.00 0.00 O ATOM 228 CB PHE A 756 2.531 1.997 -5.537 1.00 0.00 C ATOM 229 CG PHE A 756 1.882 0.714 -5.963 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.892 0.323 -7.291 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.265 -0.101 -5.032 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.295 -0.859 -7.682 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.667 -1.281 -5.415 1.00 0.00 C ATOM 234 CZ PHE A 756 0.681 -1.663 -6.743 1.00 0.00 C ATOM 0 H PHE A 756 2.752 3.925 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 756 1.737 3.636 -6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.437 2.145 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.839 1.906 -4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.372 0.949 -8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.252 0.191 -3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.308 -1.154 -8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.187 -1.908 -4.678 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.213 -2.588 -7.045 1.00 0.00 H new ATOM 244 N VAL A 757 -0.214 2.651 -4.218 1.00 0.00 N ATOM 245 CA VAL A 757 -1.587 2.291 -3.894 1.00 0.00 C ATOM 246 C VAL A 757 -2.523 3.474 -4.106 1.00 0.00 C ATOM 247 O VAL A 757 -3.602 3.329 -4.681 1.00 0.00 O ATOM 248 CB VAL A 757 -1.707 1.798 -2.439 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.136 1.387 -2.129 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.749 0.644 -2.187 1.00 0.00 C ATOM 0 H VAL A 757 0.407 2.719 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.875 1.481 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.437 2.619 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.200 1.042 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.799 2.241 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.437 0.582 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.847 0.308 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.986 -0.180 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.274 0.975 -2.365 1.00 0.00 H new ATOM 260 N THR A 758 -2.104 4.644 -3.638 1.00 0.00 N ATOM 261 CA THR A 758 -2.905 5.853 -3.777 1.00 0.00 C ATOM 262 C THR A 758 -3.235 6.134 -5.242 1.00 0.00 C ATOM 263 O THR A 758 -4.372 6.466 -5.579 1.00 0.00 O ATOM 264 CB THR A 758 -2.160 7.046 -3.177 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.797 7.030 -3.562 1.00 0.00 O ATOM 266 CG2 THR A 758 -2.213 7.087 -1.665 1.00 0.00 C ATOM 0 H THR A 758 -1.214 4.780 -3.159 1.00 0.00 H new ATOM 0 HA THR A 758 -3.841 5.700 -3.240 1.00 0.00 H new ATOM 0 HB THR A 758 -2.668 7.929 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.259 6.634 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.665 7.958 -1.305 1.00 0.00 H new ATOM 0 HG22 THR A 758 -3.251 7.151 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.761 6.181 -1.260 1.00 0.00 H new ATOM 274 N GLU A 759 -2.233 6.008 -6.108 1.00 0.00 N ATOM 275 CA GLU A 759 -2.418 6.259 -7.534 1.00 0.00 C ATOM 276 C GLU A 759 -3.089 5.074 -8.228 1.00 0.00 C ATOM 277 O GLU A 759 -3.937 5.255 -9.103 1.00 0.00 O ATOM 278 CB GLU A 759 -1.072 6.559 -8.197 1.00 0.00 C ATOM 279 CG GLU A 759 -0.983 7.956 -8.789 1.00 0.00 C ATOM 280 CD GLU A 759 0.365 8.236 -9.424 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.305 8.599 -8.686 1.00 0.00 O ATOM 282 OE2 GLU A 759 0.480 8.092 -10.659 1.00 0.00 O ATOM 0 H GLU A 759 -1.286 5.734 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 759 -3.072 7.125 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.278 6.434 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.894 5.827 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.766 8.080 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -1.171 8.691 -8.006 1.00 0.00 H new ATOM 289 N SER A 760 -2.700 3.863 -7.842 1.00 0.00 N ATOM 290 CA SER A 760 -3.259 2.654 -8.436 1.00 0.00 C ATOM 291 C SER A 760 -4.695 2.421 -7.970 1.00 0.00 C ATOM 292 O SER A 760 -5.482 1.773 -8.659 1.00 0.00 O ATOM 293 CB SER A 760 -2.393 1.443 -8.082 1.00 0.00 C ATOM 294 OG SER A 760 -2.446 1.160 -6.693 1.00 0.00 O ATOM 0 H SER A 760 -2.000 3.693 -7.120 1.00 0.00 H new ATOM 0 HA SER A 760 -3.269 2.786 -9.518 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.732 0.574 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.361 1.632 -8.378 1.00 0.00 H new ATOM 0 HG SER A 760 -1.600 1.421 -6.273 1.00 0.00 H new ATOM 300 N ARG A 761 -5.029 2.957 -6.800 1.00 0.00 N ATOM 301 CA ARG A 761 -6.369 2.815 -6.239 1.00 0.00 C ATOM 302 C ARG A 761 -6.654 1.369 -5.837 1.00 0.00 C ATOM 303 O ARG A 761 -7.746 0.852 -6.076 1.00 0.00 O ATOM 304 CB ARG A 761 -7.425 3.299 -7.238 1.00 0.00 C ATOM 305 CG ARG A 761 -7.192 4.718 -7.729 1.00 0.00 C ATOM 306 CD ARG A 761 -7.566 5.743 -6.670 1.00 0.00 C ATOM 307 NE ARG A 761 -8.216 6.917 -7.248 1.00 0.00 N ATOM 308 CZ ARG A 761 -8.654 7.950 -6.531 1.00 0.00 C ATOM 309 NH1 ARG A 761 -8.515 7.957 -5.211 1.00 0.00 N ATOM 310 NH2 ARG A 761 -9.234 8.977 -7.136 1.00 0.00 N ATOM 0 H ARG A 761 -4.387 3.496 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.418 3.433 -5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.439 2.625 -8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.408 3.242 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.144 4.842 -8.003 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.780 4.893 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -8.232 5.283 -5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -6.669 6.053 -6.133 1.00 0.00 H new ATOM 0 HE ARG A 761 -8.342 6.947 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.071 7.168 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -8.852 8.751 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -9.345 8.976 -8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -9.570 9.769 -6.588 1.00 0.00 H new ATOM 324 N ARG A 762 -5.671 0.727 -5.215 1.00 0.00 N ATOM 325 CA ARG A 762 -5.818 -0.653 -4.769 1.00 0.00 C ATOM 326 C ARG A 762 -4.591 -1.093 -3.972 1.00 0.00 C ATOM 327 O ARG A 762 -3.467 -1.055 -4.472 1.00 0.00 O ATOM 328 CB ARG A 762 -6.070 -1.583 -5.969 1.00 0.00 C ATOM 329 CG ARG A 762 -4.838 -2.314 -6.488 1.00 0.00 C ATOM 330 CD ARG A 762 -3.841 -1.357 -7.120 1.00 0.00 C ATOM 331 NE ARG A 762 -3.988 -1.289 -8.573 1.00 0.00 N ATOM 332 CZ ARG A 762 -3.834 -2.332 -9.388 1.00 0.00 C ATOM 333 NH1 ARG A 762 -3.506 -3.523 -8.901 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.999 -2.180 -10.695 1.00 0.00 N ATOM 0 H ARG A 762 -4.762 1.142 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.683 -0.717 -4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.820 -2.322 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -6.494 -0.995 -6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.359 -2.848 -5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -5.140 -3.061 -7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -3.975 -0.362 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -2.828 -1.675 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.223 -0.388 -8.989 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -3.370 -3.644 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -3.390 -4.317 -9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -4.243 -1.266 -11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.881 -2.977 -11.320 1.00 0.00 H new ATOM 348 N ALA A 763 -4.811 -1.495 -2.725 1.00 0.00 N ATOM 349 CA ALA A 763 -3.723 -1.923 -1.862 1.00 0.00 C ATOM 350 C ALA A 763 -3.525 -3.433 -1.914 1.00 0.00 C ATOM 351 O ALA A 763 -4.102 -4.175 -1.120 1.00 0.00 O ATOM 352 CB ALA A 763 -3.983 -1.477 -0.432 1.00 0.00 C ATOM 0 H ALA A 763 -5.734 -1.532 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.807 -1.456 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.161 -1.803 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.059 -0.390 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -4.915 -1.918 -0.077 1.00 0.00 H new ATOM 358 N SER A 764 -2.685 -3.878 -2.840 1.00 0.00 N ATOM 359 CA SER A 764 -2.382 -5.295 -2.983 1.00 0.00 C ATOM 360 C SER A 764 -0.883 -5.505 -2.867 1.00 0.00 C ATOM 361 O SER A 764 -0.111 -4.977 -3.662 1.00 0.00 O ATOM 362 CB SER A 764 -2.889 -5.821 -4.328 1.00 0.00 C ATOM 363 OG SER A 764 -4.230 -5.427 -4.557 1.00 0.00 O ATOM 0 H SER A 764 -2.200 -3.275 -3.505 1.00 0.00 H new ATOM 0 HA SER A 764 -2.886 -5.848 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.254 -5.446 -5.131 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.818 -6.909 -4.347 1.00 0.00 H new ATOM 0 HG SER A 764 -4.530 -5.774 -5.423 1.00 0.00 H new ATOM 369 N ILE A 765 -0.477 -6.269 -1.865 1.00 0.00 N ATOM 370 CA ILE A 765 0.936 -6.528 -1.635 1.00 0.00 C ATOM 371 C ILE A 765 1.622 -7.066 -2.885 1.00 0.00 C ATOM 372 O ILE A 765 2.666 -6.563 -3.295 1.00 0.00 O ATOM 373 CB ILE A 765 1.155 -7.516 -0.479 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.308 -7.128 0.737 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.627 -7.553 -0.114 1.00 0.00 C ATOM 376 CD1 ILE A 765 0.327 -8.163 1.840 1.00 0.00 C ATOM 0 H ILE A 765 -1.104 -6.720 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 765 1.380 -5.568 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 765 0.842 -8.509 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.669 -6.179 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.722 -6.968 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.781 -8.254 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.208 -7.873 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.951 -6.559 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.293 -7.823 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.062 -9.107 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 765 1.350 -8.306 2.187 1.00 0.00 H new ATOM 388 N SER A 766 1.029 -8.089 -3.490 1.00 0.00 N ATOM 389 CA SER A 766 1.590 -8.686 -4.697 1.00 0.00 C ATOM 390 C SER A 766 1.836 -7.617 -5.757 1.00 0.00 C ATOM 391 O SER A 766 2.879 -7.596 -6.413 1.00 0.00 O ATOM 392 CB SER A 766 0.650 -9.761 -5.241 1.00 0.00 C ATOM 393 OG SER A 766 0.994 -10.115 -6.569 1.00 0.00 O ATOM 0 H SER A 766 0.164 -8.521 -3.166 1.00 0.00 H new ATOM 0 HA SER A 766 2.544 -9.148 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.694 -10.644 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.377 -9.398 -5.213 1.00 0.00 H new ATOM 0 HG SER A 766 0.379 -10.805 -6.893 1.00 0.00 H new ATOM 399 N ALA A 767 0.869 -6.723 -5.907 1.00 0.00 N ATOM 400 CA ALA A 767 0.972 -5.641 -6.875 1.00 0.00 C ATOM 401 C ALA A 767 2.025 -4.631 -6.445 1.00 0.00 C ATOM 402 O ALA A 767 2.791 -4.129 -7.268 1.00 0.00 O ATOM 403 CB ALA A 767 -0.377 -4.965 -7.060 1.00 0.00 C ATOM 0 H ALA A 767 0.002 -6.726 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 767 1.280 -6.064 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.283 -4.158 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.103 -5.694 -7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.713 -4.557 -6.107 1.00 0.00 H new ATOM 409 N VAL A 768 2.071 -4.344 -5.146 1.00 0.00 N ATOM 410 CA VAL A 768 3.049 -3.402 -4.618 1.00 0.00 C ATOM 411 C VAL A 768 4.458 -3.912 -4.867 1.00 0.00 C ATOM 412 O VAL A 768 5.326 -3.164 -5.303 1.00 0.00 O ATOM 413 CB VAL A 768 2.875 -3.157 -3.105 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.863 -2.113 -2.620 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.461 -2.719 -2.787 1.00 0.00 C ATOM 0 H VAL A 768 1.447 -4.747 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 768 2.885 -2.459 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 768 3.070 -4.096 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.727 -1.952 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.879 -2.459 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.694 -1.177 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.364 -2.553 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.238 -1.794 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.761 -3.494 -3.099 1.00 0.00 H new ATOM 425 N GLN A 769 4.681 -5.190 -4.586 1.00 0.00 N ATOM 426 CA GLN A 769 5.993 -5.781 -4.786 1.00 0.00 C ATOM 427 C GLN A 769 6.335 -5.824 -6.266 1.00 0.00 C ATOM 428 O GLN A 769 7.498 -5.682 -6.647 1.00 0.00 O ATOM 429 CB GLN A 769 6.064 -7.184 -4.176 1.00 0.00 C ATOM 430 CG GLN A 769 5.161 -8.197 -4.856 1.00 0.00 C ATOM 431 CD GLN A 769 5.762 -9.589 -4.880 1.00 0.00 C ATOM 432 OE1 GLN A 769 6.189 -10.076 -5.926 1.00 0.00 O ATOM 433 NE2 GLN A 769 5.799 -10.238 -3.722 1.00 0.00 N ATOM 0 H GLN A 769 3.975 -5.830 -4.222 1.00 0.00 H new ATOM 0 HA GLN A 769 6.727 -5.156 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.093 -7.539 -4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.797 -7.125 -3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.202 -8.228 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.962 -7.873 -5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.434 -9.797 -2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.193 -11.178 -3.676 1.00 0.00 H new ATOM 442 N ARG A 770 5.314 -6.015 -7.092 1.00 0.00 N ATOM 443 CA ARG A 770 5.494 -6.071 -8.533 1.00 0.00 C ATOM 444 C ARG A 770 5.831 -4.691 -9.098 1.00 0.00 C ATOM 445 O ARG A 770 6.689 -4.560 -9.969 1.00 0.00 O ATOM 446 CB ARG A 770 4.224 -6.616 -9.191 1.00 0.00 C ATOM 447 CG ARG A 770 4.337 -8.072 -9.607 1.00 0.00 C ATOM 448 CD ARG A 770 3.184 -8.486 -10.507 1.00 0.00 C ATOM 449 NE ARG A 770 3.305 -9.875 -10.948 1.00 0.00 N ATOM 450 CZ ARG A 770 2.654 -10.380 -11.993 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.837 -9.616 -12.708 1.00 0.00 N ATOM 452 NH2 ARG A 770 2.820 -11.653 -12.326 1.00 0.00 N ATOM 0 H ARG A 770 4.349 -6.134 -6.784 1.00 0.00 H new ATOM 0 HA ARG A 770 6.329 -6.737 -8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.390 -6.508 -8.498 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.990 -6.012 -10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.281 -8.230 -10.128 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.352 -8.705 -8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.243 -8.356 -9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.150 -7.831 -11.377 1.00 0.00 H new ATOM 0 HE ARG A 770 3.925 -10.493 -10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.705 -8.636 -12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 770 1.341 -10.009 -13.508 1.00 0.00 H new ATOM 0 HH21 ARG A 770 3.447 -12.245 -11.781 1.00 0.00 H new ATOM 0 HH22 ARG A 770 2.321 -12.040 -13.127 1.00 0.00 H new ATOM 466 N LYS A 771 5.140 -3.666 -8.604 1.00 0.00 N ATOM 467 CA LYS A 771 5.358 -2.298 -9.067 1.00 0.00 C ATOM 468 C LYS A 771 6.608 -1.675 -8.445 1.00 0.00 C ATOM 469 O LYS A 771 7.339 -0.941 -9.109 1.00 0.00 O ATOM 470 CB LYS A 771 4.134 -1.433 -8.762 1.00 0.00 C ATOM 471 CG LYS A 771 3.748 -0.507 -9.904 1.00 0.00 C ATOM 472 CD LYS A 771 4.232 0.909 -9.653 1.00 0.00 C ATOM 473 CE LYS A 771 3.299 1.937 -10.273 1.00 0.00 C ATOM 474 NZ LYS A 771 3.568 3.311 -9.765 1.00 0.00 N ATOM 0 H LYS A 771 4.424 -3.757 -7.883 1.00 0.00 H new ATOM 0 HA LYS A 771 5.512 -2.341 -10.145 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.289 -2.081 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.333 -0.836 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.173 -0.879 -10.836 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.665 -0.507 -10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 771 4.306 1.084 -8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 771 5.234 1.030 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 771 3.412 1.922 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.266 1.666 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 2.911 3.981 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 3.435 3.332 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 4.546 3.580 -9.994 1.00 0.00 H new ATOM 488 N LEU A 772 6.848 -1.967 -7.171 1.00 0.00 N ATOM 489 CA LEU A 772 8.013 -1.427 -6.470 1.00 0.00 C ATOM 490 C LEU A 772 9.221 -2.350 -6.596 1.00 0.00 C ATOM 491 O LEU A 772 10.328 -1.984 -6.202 1.00 0.00 O ATOM 492 CB LEU A 772 7.696 -1.202 -4.986 1.00 0.00 C ATOM 493 CG LEU A 772 7.486 0.260 -4.576 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.007 0.603 -4.528 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.134 0.529 -3.224 1.00 0.00 C ATOM 0 H LEU A 772 6.255 -2.572 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 772 8.256 -0.473 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.798 -1.766 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.510 -1.616 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 772 7.959 0.894 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.885 1.646 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.566 0.449 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.508 -0.039 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 772 7.977 1.571 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.686 -0.119 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.203 0.328 -3.287 1.00 0.00 H new ATOM 507 N LYS A 773 9.008 -3.548 -7.126 1.00 0.00 N ATOM 508 CA LYS A 773 10.091 -4.510 -7.271 1.00 0.00 C ATOM 509 C LYS A 773 10.675 -4.837 -5.903 1.00 0.00 C ATOM 510 O LYS A 773 11.893 -4.923 -5.736 1.00 0.00 O ATOM 511 CB LYS A 773 11.179 -3.958 -8.194 1.00 0.00 C ATOM 512 CG LYS A 773 10.742 -3.835 -9.645 1.00 0.00 C ATOM 513 CD LYS A 773 11.645 -2.888 -10.419 1.00 0.00 C ATOM 514 CE LYS A 773 12.901 -3.593 -10.906 1.00 0.00 C ATOM 515 NZ LYS A 773 13.621 -2.794 -11.936 1.00 0.00 N ATOM 0 H LYS A 773 8.101 -3.874 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 773 9.695 -5.422 -7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.488 -2.977 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 773 12.053 -4.607 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.756 -4.818 -10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.714 -3.476 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 773 11.102 -2.480 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.921 -2.046 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.564 -3.778 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.634 -4.565 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 14.471 -3.308 -12.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 12.997 -2.638 -12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 13.898 -1.876 -11.532 1.00 0.00 H new ATOM 529 N ILE A 774 9.792 -5.011 -4.925 1.00 0.00 N ATOM 530 CA ILE A 774 10.209 -5.320 -3.561 1.00 0.00 C ATOM 531 C ILE A 774 9.801 -6.737 -3.178 1.00 0.00 C ATOM 532 O ILE A 774 9.297 -7.494 -4.009 1.00 0.00 O ATOM 533 CB ILE A 774 9.607 -4.328 -2.540 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.087 -4.279 -2.673 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.199 -2.944 -2.733 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.406 -3.394 -1.648 1.00 0.00 C ATOM 0 H ILE A 774 8.782 -4.943 -5.051 1.00 0.00 H new ATOM 0 HA ILE A 774 11.295 -5.232 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 774 9.855 -4.675 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.831 -3.924 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.692 -5.291 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.764 -2.258 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.279 -2.987 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.980 -2.592 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.328 -3.413 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.629 -3.760 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.770 -2.372 -1.750 1.00 0.00 H new ATOM 548 N GLY A 775 10.018 -7.091 -1.918 1.00 0.00 N ATOM 549 CA GLY A 775 9.662 -8.416 -1.449 1.00 0.00 C ATOM 550 C GLY A 775 8.255 -8.464 -0.893 1.00 0.00 C ATOM 551 O GLY A 775 7.754 -7.467 -0.375 1.00 0.00 O ATOM 0 H GLY A 775 10.434 -6.484 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.751 -9.127 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.367 -8.729 -0.679 1.00 0.00 H new ATOM 555 N TYR A 776 7.613 -9.621 -0.999 1.00 0.00 N ATOM 556 CA TYR A 776 6.252 -9.785 -0.500 1.00 0.00 C ATOM 557 C TYR A 776 6.162 -9.396 0.973 1.00 0.00 C ATOM 558 O TYR A 776 5.255 -8.671 1.381 1.00 0.00 O ATOM 559 CB TYR A 776 5.791 -11.231 -0.688 1.00 0.00 C ATOM 560 CG TYR A 776 4.390 -11.487 -0.182 1.00 0.00 C ATOM 561 CD1 TYR A 776 4.156 -11.750 1.160 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.304 -11.461 -1.047 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.878 -11.982 1.628 1.00 0.00 C ATOM 564 CE2 TYR A 776 2.022 -11.691 -0.587 1.00 0.00 C ATOM 565 CZ TYR A 776 1.813 -11.951 0.752 1.00 0.00 C ATOM 566 OH TYR A 776 0.538 -12.181 1.214 1.00 0.00 O ATOM 0 H TYR A 776 8.011 -10.458 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 776 5.599 -9.125 -1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.838 -11.484 -1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.483 -11.895 -0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.987 -11.774 1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.464 -11.258 -2.096 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.713 -12.187 2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 776 1.187 -11.667 -1.272 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.096 -12.122 0.469 1.00 0.00 H new ATOM 576 N ASN A 777 7.110 -9.884 1.765 1.00 0.00 N ATOM 577 CA ASN A 777 7.143 -9.592 3.192 1.00 0.00 C ATOM 578 C ASN A 777 7.253 -8.091 3.446 1.00 0.00 C ATOM 579 O ASN A 777 6.540 -7.542 4.286 1.00 0.00 O ATOM 580 CB ASN A 777 8.315 -10.318 3.854 1.00 0.00 C ATOM 581 CG ASN A 777 8.056 -11.803 4.021 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.908 -12.246 4.037 1.00 0.00 O ATOM 583 ND2 ASN A 777 9.125 -12.580 4.147 1.00 0.00 N ATOM 0 H ASN A 777 7.868 -10.485 1.441 1.00 0.00 H new ATOM 0 HA ASN A 777 6.208 -9.945 3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 777 9.214 -10.174 3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.509 -9.874 4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 777 9.013 -13.587 4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 777 10.059 -12.170 4.128 1.00 0.00 H new ATOM 590 N ARG A 778 8.152 -7.429 2.721 1.00 0.00 N ATOM 591 CA ARG A 778 8.349 -5.994 2.880 1.00 0.00 C ATOM 592 C ARG A 778 7.111 -5.223 2.433 1.00 0.00 C ATOM 593 O ARG A 778 6.600 -4.372 3.162 1.00 0.00 O ATOM 594 CB ARG A 778 9.576 -5.543 2.082 1.00 0.00 C ATOM 595 CG ARG A 778 9.698 -4.034 1.933 1.00 0.00 C ATOM 596 CD ARG A 778 10.732 -3.662 0.884 1.00 0.00 C ATOM 597 NE ARG A 778 11.734 -2.733 1.406 1.00 0.00 N ATOM 598 CZ ARG A 778 12.898 -3.110 1.932 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.212 -4.397 2.024 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.752 -2.195 2.370 1.00 0.00 N ATOM 0 H ARG A 778 8.753 -7.863 2.020 1.00 0.00 H new ATOM 0 HA ARG A 778 8.516 -5.782 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.474 -5.923 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.537 -5.994 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.730 -3.615 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.975 -3.594 2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.227 -4.565 0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.232 -3.212 0.026 1.00 0.00 H new ATOM 0 HE ARG A 778 11.529 -1.735 1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.559 -5.106 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.106 -4.676 2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.517 -1.205 2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.644 -2.481 2.773 1.00 0.00 H new ATOM 614 N ALA A 779 6.631 -5.533 1.237 1.00 0.00 N ATOM 615 CA ALA A 779 5.447 -4.878 0.697 1.00 0.00 C ATOM 616 C ALA A 779 4.279 -5.016 1.669 1.00 0.00 C ATOM 617 O ALA A 779 3.627 -4.032 2.014 1.00 0.00 O ATOM 618 CB ALA A 779 5.094 -5.464 -0.662 1.00 0.00 C ATOM 0 H ALA A 779 7.043 -6.234 0.622 1.00 0.00 H new ATOM 0 HA ALA A 779 5.659 -3.817 0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.207 -4.966 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.927 -5.316 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.894 -6.530 -0.558 1.00 0.00 H new ATOM 624 N ALA A 780 4.031 -6.245 2.114 1.00 0.00 N ATOM 625 CA ALA A 780 2.957 -6.524 3.060 1.00 0.00 C ATOM 626 C ALA A 780 3.109 -5.682 4.323 1.00 0.00 C ATOM 627 O ALA A 780 2.145 -5.084 4.801 1.00 0.00 O ATOM 628 CB ALA A 780 2.941 -8.003 3.418 1.00 0.00 C ATOM 0 H ALA A 780 4.564 -7.068 1.832 1.00 0.00 H new ATOM 0 HA ALA A 780 2.011 -6.262 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 780 2.134 -8.198 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.783 -8.594 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.894 -8.278 3.870 1.00 0.00 H new ATOM 634 N ARG A 781 4.326 -5.638 4.861 1.00 0.00 N ATOM 635 CA ARG A 781 4.597 -4.864 6.069 1.00 0.00 C ATOM 636 C ARG A 781 4.256 -3.398 5.843 1.00 0.00 C ATOM 637 O ARG A 781 3.557 -2.780 6.647 1.00 0.00 O ATOM 638 CB ARG A 781 6.067 -5.000 6.473 1.00 0.00 C ATOM 639 CG ARG A 781 6.394 -6.322 7.147 1.00 0.00 C ATOM 640 CD ARG A 781 7.893 -6.570 7.187 1.00 0.00 C ATOM 641 NE ARG A 781 8.216 -7.902 7.692 1.00 0.00 N ATOM 642 CZ ARG A 781 9.431 -8.266 8.095 1.00 0.00 C ATOM 643 NH1 ARG A 781 10.438 -7.403 8.057 1.00 0.00 N ATOM 644 NH2 ARG A 781 9.638 -9.498 8.539 1.00 0.00 N ATOM 0 H ARG A 781 5.136 -6.127 4.481 1.00 0.00 H new ATOM 0 HA ARG A 781 3.974 -5.253 6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.690 -4.890 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.327 -4.184 7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.997 -6.322 8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 781 5.904 -7.135 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.306 -6.452 6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 781 8.368 -5.819 7.818 1.00 0.00 H new ATOM 0 HE ARG A 781 7.467 -8.593 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 781 10.284 -6.454 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 781 11.367 -7.689 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 781 8.867 -10.165 8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 781 10.568 -9.779 8.848 1.00 0.00 H new ATOM 658 N MET A 782 4.737 -2.853 4.731 1.00 0.00 N ATOM 659 CA MET A 782 4.467 -1.466 4.384 1.00 0.00 C ATOM 660 C MET A 782 2.975 -1.280 4.166 1.00 0.00 C ATOM 661 O MET A 782 2.397 -0.260 4.538 1.00 0.00 O ATOM 662 CB MET A 782 5.257 -1.079 3.133 1.00 0.00 C ATOM 663 CG MET A 782 6.758 -1.140 3.355 1.00 0.00 C ATOM 664 SD MET A 782 7.714 -0.245 2.114 1.00 0.00 S ATOM 665 CE MET A 782 6.969 -0.818 0.590 1.00 0.00 C ATOM 0 H MET A 782 5.316 -3.352 4.056 1.00 0.00 H new ATOM 0 HA MET A 782 4.783 -0.815 5.199 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.986 -1.746 2.315 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.978 -0.070 2.828 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.987 -0.733 4.340 1.00 0.00 H new ATOM 0 HG3 MET A 782 7.073 -2.183 3.360 1.00 0.00 H new ATOM 0 HE1 MET A 782 7.403 -0.279 -0.252 1.00 0.00 H new ATOM 0 HE2 MET A 782 7.156 -1.885 0.473 1.00 0.00 H new ATOM 0 HE3 MET A 782 5.894 -0.639 0.621 1.00 0.00 H new ATOM 675 N ILE A 783 2.350 -2.298 3.592 1.00 0.00 N ATOM 676 CA ILE A 783 0.919 -2.283 3.354 1.00 0.00 C ATOM 677 C ILE A 783 0.196 -2.220 4.700 1.00 0.00 C ATOM 678 O ILE A 783 -0.772 -1.476 4.874 1.00 0.00 O ATOM 679 CB ILE A 783 0.494 -3.530 2.538 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.904 -3.361 1.069 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.000 -3.799 2.649 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.001 -2.432 0.278 1.00 0.00 C ATOM 0 H ILE A 783 2.818 -3.149 3.281 1.00 0.00 H new ATOM 0 HA ILE A 783 0.648 -1.406 2.767 1.00 0.00 H new ATOM 0 HB ILE A 783 1.009 -4.394 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.924 -2.979 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.911 -4.340 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.255 -4.681 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.262 -3.969 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.554 -2.939 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.355 -2.365 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.019 -2.823 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 783 0.010 -1.441 0.731 1.00 0.00 H new ATOM 694 N GLU A 784 0.715 -2.967 5.670 1.00 0.00 N ATOM 695 CA GLU A 784 0.158 -2.955 7.014 1.00 0.00 C ATOM 696 C GLU A 784 0.225 -1.533 7.551 1.00 0.00 C ATOM 697 O GLU A 784 -0.728 -1.015 8.143 1.00 0.00 O ATOM 698 CB GLU A 784 0.946 -3.899 7.924 1.00 0.00 C ATOM 699 CG GLU A 784 0.086 -4.611 8.950 1.00 0.00 C ATOM 700 CD GLU A 784 0.733 -4.664 10.320 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.622 -5.518 10.523 1.00 0.00 O ATOM 702 OE2 GLU A 784 0.352 -3.853 11.189 1.00 0.00 O ATOM 0 H GLU A 784 1.517 -3.585 5.549 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.877 -3.295 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.454 -4.642 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.719 -3.331 8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.876 -4.104 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -0.115 -5.626 8.608 1.00 0.00 H new ATOM 709 N ALA A 785 1.366 -0.898 7.295 1.00 0.00 N ATOM 710 CA ALA A 785 1.592 0.477 7.700 1.00 0.00 C ATOM 711 C ALA A 785 0.557 1.379 7.051 1.00 0.00 C ATOM 712 O ALA A 785 0.127 2.369 7.635 1.00 0.00 O ATOM 713 CB ALA A 785 2.997 0.923 7.316 1.00 0.00 C ATOM 0 H ALA A 785 2.152 -1.323 6.804 1.00 0.00 H new ATOM 0 HA ALA A 785 1.496 0.546 8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.149 1.956 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.729 0.284 7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.120 0.848 6.236 1.00 0.00 H new ATOM 719 N MET A 786 0.153 1.020 5.834 1.00 0.00 N ATOM 720 CA MET A 786 -0.845 1.791 5.110 1.00 0.00 C ATOM 721 C MET A 786 -2.186 1.710 5.824 1.00 0.00 C ATOM 722 O MET A 786 -2.930 2.688 5.888 1.00 0.00 O ATOM 723 CB MET A 786 -0.983 1.293 3.672 1.00 0.00 C ATOM 724 CG MET A 786 0.015 1.923 2.724 1.00 0.00 C ATOM 725 SD MET A 786 -0.329 1.555 0.994 1.00 0.00 S ATOM 726 CE MET A 786 1.078 0.529 0.576 1.00 0.00 C ATOM 0 H MET A 786 0.502 0.203 5.333 1.00 0.00 H new ATOM 0 HA MET A 786 -0.519 2.831 5.080 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.856 0.210 3.656 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.992 1.501 3.318 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.012 3.004 2.868 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.016 1.571 2.973 1.00 0.00 H new ATOM 0 HE1 MET A 786 0.898 0.036 -0.379 1.00 0.00 H new ATOM 0 HE2 MET A 786 1.971 1.149 0.501 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.223 -0.223 1.351 1.00 0.00 H new ATOM 736 N GLU A 787 -2.486 0.537 6.370 1.00 0.00 N ATOM 737 CA GLU A 787 -3.735 0.336 7.095 1.00 0.00 C ATOM 738 C GLU A 787 -3.791 1.225 8.329 1.00 0.00 C ATOM 739 O GLU A 787 -4.743 1.980 8.526 1.00 0.00 O ATOM 740 CB GLU A 787 -3.884 -1.128 7.512 1.00 0.00 C ATOM 741 CG GLU A 787 -4.888 -1.891 6.672 1.00 0.00 C ATOM 742 CD GLU A 787 -5.341 -3.179 7.329 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.622 -3.675 8.222 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.415 -3.693 6.951 1.00 0.00 O ATOM 0 H GLU A 787 -1.885 -0.286 6.325 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.556 0.603 6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.914 -1.619 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.188 -1.172 8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.756 -1.258 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.446 -2.119 5.702 1.00 0.00 H new ATOM 751 N MET A 788 -2.763 1.121 9.159 1.00 0.00 N ATOM 752 CA MET A 788 -2.684 1.905 10.387 1.00 0.00 C ATOM 753 C MET A 788 -2.484 3.390 10.091 1.00 0.00 C ATOM 754 O MET A 788 -3.031 4.251 10.781 1.00 0.00 O ATOM 755 CB MET A 788 -1.537 1.391 11.255 1.00 0.00 C ATOM 756 CG MET A 788 -1.868 0.113 12.006 1.00 0.00 C ATOM 757 SD MET A 788 -0.852 -0.112 13.479 1.00 0.00 S ATOM 758 CE MET A 788 0.780 0.213 12.816 1.00 0.00 C ATOM 0 H MET A 788 -1.969 0.500 9.005 1.00 0.00 H new ATOM 0 HA MET A 788 -3.628 1.793 10.920 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.665 1.216 10.624 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.261 2.163 11.973 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.919 0.127 12.294 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.731 -0.740 11.341 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.535 -0.156 13.511 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.891 -0.294 11.857 1.00 0.00 H new ATOM 0 HE3 MET A 788 0.909 1.286 12.676 1.00 0.00 H new ATOM 768 N ALA A 789 -1.693 3.677 9.067 1.00 0.00 N ATOM 769 CA ALA A 789 -1.403 5.054 8.675 1.00 0.00 C ATOM 770 C ALA A 789 -2.630 5.748 8.097 1.00 0.00 C ATOM 771 O ALA A 789 -2.703 6.976 8.065 1.00 0.00 O ATOM 772 CB ALA A 789 -0.274 5.077 7.656 1.00 0.00 C ATOM 0 H ALA A 789 -1.237 2.972 8.488 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.103 5.596 9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.064 6.107 7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.620 4.633 8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.568 4.507 6.774 1.00 0.00 H new ATOM 778 N GLY A 790 -3.586 4.958 7.625 1.00 0.00 N ATOM 779 CA GLY A 790 -4.785 5.521 7.036 1.00 0.00 C ATOM 780 C GLY A 790 -4.630 5.749 5.544 1.00 0.00 C ATOM 781 O GLY A 790 -5.372 6.526 4.945 1.00 0.00 O ATOM 0 H GLY A 790 -3.552 3.939 7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.626 4.851 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.020 6.466 7.525 1.00 0.00 H new ATOM 785 N VAL A 791 -3.658 5.064 4.949 1.00 0.00 N ATOM 786 CA VAL A 791 -3.390 5.178 3.522 1.00 0.00 C ATOM 787 C VAL A 791 -4.296 4.251 2.728 1.00 0.00 C ATOM 788 O VAL A 791 -4.727 4.584 1.625 1.00 0.00 O ATOM 789 CB VAL A 791 -1.922 4.851 3.207 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.578 5.253 1.784 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.007 5.547 4.199 1.00 0.00 C ATOM 0 H VAL A 791 -3.039 4.419 5.440 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.591 6.210 3.233 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.777 3.775 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.534 5.013 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.217 4.710 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.735 6.325 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.031 5.308 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.154 6.625 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.240 5.208 5.208 1.00 0.00 H new ATOM 801 N VAL A 792 -4.597 3.092 3.302 1.00 0.00 N ATOM 802 CA VAL A 792 -5.471 2.131 2.646 1.00 0.00 C ATOM 803 C VAL A 792 -6.518 1.588 3.610 1.00 0.00 C ATOM 804 O VAL A 792 -6.228 1.326 4.778 1.00 0.00 O ATOM 805 CB VAL A 792 -4.679 0.962 2.024 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.579 1.494 1.125 1.00 0.00 C ATOM 807 CG2 VAL A 792 -4.095 0.050 3.094 1.00 0.00 C ATOM 0 H VAL A 792 -4.250 2.797 4.215 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.975 2.667 1.842 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.372 0.369 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -3.027 0.659 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -4.019 2.091 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.899 2.114 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.544 -0.762 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.421 0.622 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.902 -0.364 3.699 1.00 0.00 H new ATOM 817 N THR A 793 -7.739 1.422 3.116 1.00 0.00 N ATOM 818 CA THR A 793 -8.826 0.909 3.938 1.00 0.00 C ATOM 819 C THR A 793 -8.690 -0.605 4.085 1.00 0.00 C ATOM 820 O THR A 793 -8.004 -1.246 3.291 1.00 0.00 O ATOM 821 CB THR A 793 -10.191 1.260 3.328 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.616 0.255 2.424 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.208 2.580 2.583 1.00 0.00 C ATOM 0 H THR A 793 -8.000 1.635 2.153 1.00 0.00 H new ATOM 0 HA THR A 793 -8.765 1.375 4.921 1.00 0.00 H new ATOM 0 HB THR A 793 -10.864 1.338 4.182 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.559 0.397 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.205 2.758 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.943 3.387 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.488 2.546 1.765 1.00 0.00 H new ATOM 831 N PRO A 794 -9.339 -1.206 5.095 1.00 0.00 N ATOM 832 CA PRO A 794 -9.271 -2.653 5.312 1.00 0.00 C ATOM 833 C PRO A 794 -9.805 -3.434 4.118 1.00 0.00 C ATOM 834 O PRO A 794 -10.452 -2.872 3.234 1.00 0.00 O ATOM 835 CB PRO A 794 -10.153 -2.883 6.545 1.00 0.00 C ATOM 836 CG PRO A 794 -11.018 -1.675 6.629 1.00 0.00 C ATOM 837 CD PRO A 794 -10.190 -0.541 6.095 1.00 0.00 C ATOM 0 HA PRO A 794 -8.245 -2.996 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.749 -3.789 6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.550 -3.000 7.445 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.928 -1.804 6.043 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.325 -1.485 7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.809 0.237 5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.599 -0.067 6.879 1.00 0.00 H new ATOM 845 N MET A 795 -9.526 -4.732 4.095 1.00 0.00 N ATOM 846 CA MET A 795 -9.972 -5.593 3.011 1.00 0.00 C ATOM 847 C MET A 795 -11.487 -5.532 2.846 1.00 0.00 C ATOM 848 O MET A 795 -12.209 -5.162 3.773 1.00 0.00 O ATOM 849 CB MET A 795 -9.532 -7.033 3.270 1.00 0.00 C ATOM 850 CG MET A 795 -8.096 -7.156 3.755 1.00 0.00 C ATOM 851 SD MET A 795 -7.178 -8.450 2.897 1.00 0.00 S ATOM 852 CE MET A 795 -5.839 -8.737 4.051 1.00 0.00 C ATOM 0 H MET A 795 -8.991 -5.211 4.819 1.00 0.00 H new ATOM 0 HA MET A 795 -9.515 -5.237 2.087 1.00 0.00 H new ATOM 0 HB2 MET A 795 -10.196 -7.479 4.011 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.647 -7.609 2.352 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.587 -6.202 3.616 1.00 0.00 H new ATOM 0 HG3 MET A 795 -8.095 -7.364 4.825 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.182 -9.514 3.660 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.271 -7.816 4.186 1.00 0.00 H new ATOM 0 HE3 MET A 795 -6.247 -9.055 5.010 1.00 0.00 H new ATOM 862 N ASN A 796 -11.961 -5.898 1.661 1.00 0.00 N ATOM 863 CA ASN A 796 -13.390 -5.887 1.370 1.00 0.00 C ATOM 864 C ASN A 796 -13.973 -7.293 1.452 1.00 0.00 C ATOM 865 O ASN A 796 -13.249 -8.265 1.671 1.00 0.00 O ATOM 866 CB ASN A 796 -13.645 -5.298 -0.019 1.00 0.00 C ATOM 867 CG ASN A 796 -13.725 -3.790 -0.003 1.00 0.00 C ATOM 868 OD1 ASN A 796 -14.035 -3.180 1.020 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.444 -3.181 -1.145 1.00 0.00 N ATOM 0 H ASN A 796 -11.376 -6.207 0.885 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.882 -5.265 2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.847 -5.609 -0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.575 -5.704 -0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.480 -2.163 -1.202 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.192 -3.730 -1.967 1.00 0.00 H new ATOM 876 N THR A 797 -15.288 -7.396 1.276 1.00 0.00 N ATOM 877 CA THR A 797 -15.969 -8.685 1.330 1.00 0.00 C ATOM 878 C THR A 797 -15.356 -9.668 0.337 1.00 0.00 C ATOM 879 O THR A 797 -15.307 -10.871 0.590 1.00 0.00 O ATOM 880 CB THR A 797 -17.460 -8.509 1.037 1.00 0.00 C ATOM 881 OG1 THR A 797 -18.146 -9.741 1.173 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.738 -7.981 -0.354 1.00 0.00 C ATOM 0 H THR A 797 -15.902 -6.602 1.095 1.00 0.00 H new ATOM 0 HA THR A 797 -15.848 -9.090 2.335 1.00 0.00 H new ATOM 0 HB THR A 797 -17.813 -7.777 1.764 1.00 0.00 H new ATOM 0 HG1 THR A 797 -19.098 -9.608 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.814 -7.880 -0.496 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.263 -7.008 -0.475 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.338 -8.675 -1.093 1.00 0.00 H new ATOM 890 N ASN A 798 -14.888 -9.146 -0.792 1.00 0.00 N ATOM 891 CA ASN A 798 -14.275 -9.977 -1.821 1.00 0.00 C ATOM 892 C ASN A 798 -12.792 -10.207 -1.532 1.00 0.00 C ATOM 893 O ASN A 798 -12.180 -11.121 -2.083 1.00 0.00 O ATOM 894 CB ASN A 798 -14.445 -9.327 -3.197 1.00 0.00 C ATOM 895 CG ASN A 798 -15.558 -9.956 -4.001 1.00 0.00 C ATOM 896 OD1 ASN A 798 -15.885 -11.129 -3.824 1.00 0.00 O ATOM 897 ND2 ASN A 798 -16.146 -9.173 -4.893 1.00 0.00 N ATOM 0 H ASN A 798 -14.922 -8.152 -1.017 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.778 -10.944 -1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.649 -8.264 -3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.510 -9.408 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -16.905 -9.537 -5.469 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.840 -8.206 -5.004 1.00 0.00 H new ATOM 904 N GLY A 799 -12.220 -9.374 -0.667 1.00 0.00 N ATOM 905 CA GLY A 799 -10.816 -9.510 -0.325 1.00 0.00 C ATOM 906 C GLY A 799 -9.942 -8.502 -1.045 1.00 0.00 C ATOM 907 O GLY A 799 -8.812 -8.810 -1.424 1.00 0.00 O ATOM 0 H GLY A 799 -12.704 -8.608 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.694 -9.388 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.481 -10.518 -0.572 1.00 0.00 H new ATOM 911 N SER A 800 -10.465 -7.294 -1.234 1.00 0.00 N ATOM 912 CA SER A 800 -9.723 -6.239 -1.913 1.00 0.00 C ATOM 913 C SER A 800 -9.697 -4.963 -1.079 1.00 0.00 C ATOM 914 O SER A 800 -10.733 -4.493 -0.608 1.00 0.00 O ATOM 915 CB SER A 800 -10.338 -5.951 -3.282 1.00 0.00 C ATOM 916 OG SER A 800 -10.604 -7.153 -3.986 1.00 0.00 O ATOM 0 H SER A 800 -11.399 -7.022 -0.926 1.00 0.00 H new ATOM 0 HA SER A 800 -8.698 -6.585 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.262 -5.387 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.660 -5.327 -3.865 1.00 0.00 H new ATOM 0 HG SER A 800 -10.999 -6.941 -4.858 1.00 0.00 H new ATOM 922 N ARG A 801 -8.504 -4.407 -0.899 1.00 0.00 N ATOM 923 CA ARG A 801 -8.334 -3.186 -0.122 1.00 0.00 C ATOM 924 C ARG A 801 -8.653 -1.951 -0.954 1.00 0.00 C ATOM 925 O ARG A 801 -8.820 -2.029 -2.172 1.00 0.00 O ATOM 926 CB ARG A 801 -6.901 -3.081 0.399 1.00 0.00 C ATOM 927 CG ARG A 801 -6.700 -3.700 1.768 1.00 0.00 C ATOM 928 CD ARG A 801 -5.300 -4.276 1.912 1.00 0.00 C ATOM 929 NE ARG A 801 -4.340 -3.298 2.414 1.00 0.00 N ATOM 930 CZ ARG A 801 -3.876 -3.278 3.659 1.00 0.00 C ATOM 931 NH1 ARG A 801 -4.325 -4.141 4.564 1.00 0.00 N ATOM 932 NH2 ARG A 801 -2.959 -2.386 4.005 1.00 0.00 N ATOM 0 H ARG A 801 -7.638 -4.785 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.028 -3.233 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.230 -3.566 -0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.616 -2.030 0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.867 -2.947 2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.438 -4.487 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.330 -5.130 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.963 -4.647 0.944 1.00 0.00 H new ATOM 0 HE ARG A 801 -4.004 -2.584 1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -5.033 -4.828 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.961 -4.116 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -2.612 -1.718 3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -2.600 -2.367 4.960 1.00 0.00 H new ATOM 946 N GLU A 802 -8.715 -0.812 -0.281 1.00 0.00 N ATOM 947 CA GLU A 802 -8.988 0.459 -0.935 1.00 0.00 C ATOM 948 C GLU A 802 -7.968 1.497 -0.484 1.00 0.00 C ATOM 949 O GLU A 802 -6.988 1.157 0.180 1.00 0.00 O ATOM 950 CB GLU A 802 -10.408 0.936 -0.618 1.00 0.00 C ATOM 951 CG GLU A 802 -11.382 0.750 -1.770 1.00 0.00 C ATOM 952 CD GLU A 802 -12.828 0.733 -1.314 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.308 -0.346 -0.906 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.480 1.797 -1.365 1.00 0.00 O ATOM 0 H GLU A 802 -8.578 -0.742 0.727 1.00 0.00 H new ATOM 0 HA GLU A 802 -8.908 0.324 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.779 0.394 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.376 1.991 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.242 1.554 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.156 -0.184 -2.285 1.00 0.00 H new ATOM 961 N VAL A 803 -8.187 2.755 -0.839 1.00 0.00 N ATOM 962 CA VAL A 803 -7.260 3.811 -0.452 1.00 0.00 C ATOM 963 C VAL A 803 -7.966 4.966 0.244 1.00 0.00 C ATOM 964 O VAL A 803 -8.990 5.461 -0.224 1.00 0.00 O ATOM 965 CB VAL A 803 -6.487 4.364 -1.662 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.407 5.331 -1.200 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.887 3.229 -2.478 1.00 0.00 C ATOM 0 H VAL A 803 -8.988 3.068 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.560 3.350 0.245 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.183 4.907 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.868 5.715 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.867 6.160 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.712 4.812 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.344 3.640 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.202 2.655 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.684 2.578 -2.836 1.00 0.00 H new ATOM 977 N ILE A 804 -7.385 5.405 1.355 1.00 0.00 N ATOM 978 CA ILE A 804 -7.926 6.523 2.118 1.00 0.00 C ATOM 979 C ILE A 804 -7.074 7.767 1.889 1.00 0.00 C ATOM 980 O ILE A 804 -7.564 8.894 1.958 1.00 0.00 O ATOM 981 CB ILE A 804 -7.992 6.233 3.639 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.331 4.892 3.980 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.434 6.256 4.117 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.370 4.558 5.455 1.00 0.00 C ATOM 0 H ILE A 804 -6.535 5.001 1.749 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.945 6.682 1.765 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.438 7.016 4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.829 4.098 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.293 4.913 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.466 6.051 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.866 7.238 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -10.006 5.496 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.885 3.596 5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.847 5.332 6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.406 4.505 5.789 1.00 0.00 H new ATOM 996 N ALA A 805 -5.793 7.544 1.609 1.00 0.00 N ATOM 997 CA ALA A 805 -4.860 8.627 1.362 1.00 0.00 C ATOM 998 C ALA A 805 -4.987 9.135 -0.073 1.00 0.00 C ATOM 999 O ALA A 805 -4.903 8.356 -1.024 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.435 8.162 1.634 1.00 0.00 C ATOM 0 H ALA A 805 -5.380 6.613 1.548 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.099 9.449 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.742 8.982 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.348 7.845 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.194 7.326 0.978 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.189 10.449 -0.252 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.324 11.056 -1.579 1.00 0.00 C ATOM 1008 C PRO A 806 -4.053 10.918 -2.408 1.00 0.00 C ATOM 1009 O PRO A 806 -2.982 10.624 -1.879 1.00 0.00 O ATOM 1010 CB PRO A 806 -5.612 12.530 -1.279 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.082 12.745 0.095 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.297 11.447 0.822 1.00 0.00 C ATOM 0 HA PRO A 806 -6.104 10.573 -2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.122 13.184 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -6.680 12.743 -1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.025 13.009 0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -5.603 13.563 0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.547 11.289 1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.272 11.413 1.309 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.182 11.130 -3.712 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.047 11.026 -4.621 1.00 0.00 C ATOM 1022 C ALA A 807 -2.592 12.403 -5.097 1.00 0.00 C ATOM 1023 O ALA A 807 -3.349 13.372 -5.035 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.402 10.146 -5.809 1.00 0.00 C ATOM 0 H ALA A 807 -5.063 11.375 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.220 10.569 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.545 10.077 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -3.668 9.149 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.247 10.580 -6.343 1.00 0.00 H new ATOM 1030 N PRO A 808 -1.342 12.506 -5.580 1.00 0.00 N ATOM 1031 CA PRO A 808 -0.786 13.770 -6.069 1.00 0.00 C ATOM 1032 C PRO A 808 -1.299 14.134 -7.458 1.00 0.00 C ATOM 1033 O PRO A 808 -1.027 13.435 -8.433 1.00 0.00 O ATOM 1034 CB PRO A 808 0.716 13.491 -6.111 1.00 0.00 C ATOM 1035 CG PRO A 808 0.816 12.027 -6.367 1.00 0.00 C ATOM 1036 CD PRO A 808 -0.373 11.397 -5.687 1.00 0.00 C ATOM 0 HA PRO A 808 -1.065 14.613 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 808 1.205 14.066 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 808 1.197 13.763 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 808 0.808 11.818 -7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 808 1.749 11.626 -5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 808 -0.775 10.568 -6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 808 -0.110 10.999 -4.707 1.00 0.00 H new ATOM 1044 N VAL A 809 -2.042 15.233 -7.538 1.00 0.00 N ATOM 1045 CA VAL A 809 -2.594 15.691 -8.811 1.00 0.00 C ATOM 1046 C VAL A 809 -3.483 14.621 -9.437 1.00 0.00 C ATOM 1047 O VAL A 809 -3.598 13.512 -8.915 1.00 0.00 O ATOM 1048 CB VAL A 809 -1.484 16.073 -9.816 1.00 0.00 C ATOM 1049 CG1 VAL A 809 -1.939 17.219 -10.704 1.00 0.00 C ATOM 1050 CG2 VAL A 809 -0.192 16.436 -9.094 1.00 0.00 C ATOM 0 H VAL A 809 -2.276 15.823 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 809 -3.188 16.579 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 809 -1.286 15.205 -10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 809 -1.144 17.474 -11.405 1.00 0.00 H new ATOM 0 HG12 VAL A 809 -2.829 16.919 -11.258 1.00 0.00 H new ATOM 0 HG13 VAL A 809 -2.171 18.087 -10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 809 0.572 16.700 -9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 809 -0.371 17.284 -8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 809 0.148 15.583 -8.506 1.00 0.00 H new ATOM 1060 N ARG A 810 -4.110 14.960 -10.559 1.00 0.00 N ATOM 1061 CA ARG A 810 -4.987 14.027 -11.256 1.00 0.00 C ATOM 1062 C ARG A 810 -4.235 13.299 -12.365 1.00 0.00 C ATOM 1063 O ARG A 810 -4.511 12.135 -12.657 1.00 0.00 O ATOM 1064 CB ARG A 810 -6.194 14.768 -11.838 1.00 0.00 C ATOM 1065 CG ARG A 810 -7.497 14.468 -11.115 1.00 0.00 C ATOM 1066 CD ARG A 810 -8.432 15.667 -11.133 1.00 0.00 C ATOM 1067 NE ARG A 810 -9.822 15.279 -10.899 1.00 0.00 N ATOM 1068 CZ ARG A 810 -10.817 16.150 -10.744 1.00 0.00 C ATOM 1069 NH1 ARG A 810 -10.582 17.455 -10.797 1.00 0.00 N ATOM 1070 NH2 ARG A 810 -12.052 15.714 -10.535 1.00 0.00 N ATOM 0 H ARG A 810 -4.027 15.874 -11.005 1.00 0.00 H new ATOM 0 HA ARG A 810 -5.338 13.287 -10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 810 -6.005 15.841 -11.799 1.00 0.00 H new ATOM 0 HB3 ARG A 810 -6.302 14.501 -12.889 1.00 0.00 H new ATOM 0 HG2 ARG A 810 -7.987 13.616 -11.585 1.00 0.00 H new ATOM 0 HG3 ARG A 810 -7.286 14.185 -10.084 1.00 0.00 H new ATOM 0 HD2 ARG A 810 -8.121 16.381 -10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 810 -8.354 16.174 -12.095 1.00 0.00 H new ATOM 0 HE ARG A 810 -10.042 14.284 -10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 810 -9.634 17.796 -10.957 1.00 0.00 H new ATOM 0 HH12 ARG A 810 -11.349 18.117 -10.677 1.00 0.00 H new ATOM 0 HH21 ARG A 810 -12.239 14.712 -10.493 1.00 0.00 H new ATOM 0 HH22 ARG A 810 -12.815 16.381 -10.416 1.00 0.00 H new ATOM 1084 N ASP A 811 -3.283 13.992 -12.981 1.00 0.00 N ATOM 1085 CA ASP A 811 -2.489 13.412 -14.059 1.00 0.00 C ATOM 1086 C ASP A 811 -1.014 13.760 -13.896 1.00 0.00 C ATOM 1087 O ASP A 811 -0.167 12.871 -14.129 1.00 0.00 O ATOM 1088 CB ASP A 811 -2.995 13.906 -15.415 1.00 0.00 C ATOM 1089 CG ASP A 811 -2.932 15.416 -15.541 1.00 0.00 C ATOM 1090 OD1 ASP A 811 -1.863 15.934 -15.927 1.00 0.00 O ATOM 1091 OD2 ASP A 811 -3.950 16.079 -15.254 1.00 0.00 O ATOM 1092 OXT ASP A 811 -0.716 14.919 -13.539 1.00 0.00 O ATOM 0 H ASP A 811 -3.042 14.956 -12.752 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.595 12.328 -14.012 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -2.401 13.453 -16.208 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.024 13.575 -15.558 1.00 0.00 H new TER 1097 ASP A 811