USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 825 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 939 SER OG : rot -126:sc= 0.29 USER MOD Set 1.2: A1018 HIS : no HD1:sc= 0.3 K(o=0.59,f=-0.031) USER MOD Set 2.1: A 937 ASN :FLIP amide:sc= -0.0922 F(o=-0.37!,f=0.57) USER MOD Set 2.2: A 954 THR OG1 : rot -12:sc= 0.658 USER MOD Single : A 927 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 928 THR OG1 : rot 180:sc=-0.000585 USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot 180:sc= 0 USER MOD Single : A 936 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.5!) USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0.805) USER MOD Single : A 952 THR OG1 : rot 180:sc= 0 USER MOD Single : A 953 TYR OH : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= 1.28 K(o=1.3,f=-0.18) USER MOD Single : A 960 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 963 SER OG : rot -85:sc= 0.192 USER MOD Single : A 965 SER OG : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0 USER MOD Single : A 969 CYS SG : rot 180:sc= 0.0844 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= 0.504 K(o=0.5,f=-0.34) USER MOD Single : A 991 LYS NZ :NH3+ -121:sc= 0.928 (180deg=-2.76!) USER MOD Single : A 995 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 998 THR OG1 : rot -119:sc= 0.109 USER MOD Single : A1003 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.02) USER MOD Single : A1004 LYS NZ :NH3+ -158:sc= 1.33 (180deg=0.971) USER MOD Single : A1006 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.606) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1014 MET CE :methyl 158:sc= -0.176 (180deg=-0.911) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HE2:sc= -10.1! C(o=-10!,f=-16!) USER MOD Single : A1017 THR OG1 : rot -130:sc= 0.00736 USER MOD Single : A1026 LYS NZ :NH3+ 152:sc= 1.5 (180deg=-0.379) USER MOD Single : A1028 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.2) USER MOD Single : A1029 LYS NZ :NH3+ -176:sc= -0.603 (180deg=-0.613) USER MOD Single : A1032 THR OG1 : rot 180:sc= 0 USER MOD Single : A1033 GLN : amide:sc= -1.51! C(o=-1.5!,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -0.276 -17.022 14.125 1.00 0.00 N ATOM 122 CA HIS A 927 -0.552 -17.422 12.765 1.00 0.00 C ATOM 123 C HIS A 927 0.498 -16.817 11.897 1.00 0.00 C ATOM 124 O HIS A 927 0.900 -17.393 10.891 1.00 0.00 O ATOM 125 CB HIS A 927 -1.853 -16.851 12.236 1.00 0.00 C ATOM 126 CG HIS A 927 -3.084 -17.152 13.046 1.00 0.00 C ATOM 127 ND1 HIS A 927 -3.885 -18.258 12.868 1.00 0.00 N ATOM 128 CD2 HIS A 927 -3.657 -16.447 14.046 1.00 0.00 C ATOM 129 CE1 HIS A 927 -4.895 -18.212 13.719 1.00 0.00 C ATOM 130 NE2 HIS A 927 -4.776 -17.122 14.444 1.00 0.00 N ATOM 0 HA HIS A 927 -0.590 -18.511 12.754 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -1.748 -15.769 12.161 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -2.007 -17.227 11.225 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -3.295 -15.516 14.457 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -5.684 -18.945 13.804 1.00 0.00 H new ATOM 0 HE2 HIS A 927 -5.415 -16.828 15.183 1.00 0.00 H new ATOM 139 N THR A 928 0.948 -15.648 12.320 1.00 0.00 N ATOM 140 CA THR A 928 1.787 -14.779 11.554 1.00 0.00 C ATOM 141 C THR A 928 1.031 -14.330 10.327 1.00 0.00 C ATOM 142 O THR A 928 0.998 -15.028 9.318 1.00 0.00 O ATOM 143 CB THR A 928 3.077 -15.433 11.098 1.00 0.00 C ATOM 144 OG1 THR A 928 3.550 -16.343 12.111 1.00 0.00 O ATOM 145 CG2 THR A 928 4.136 -14.378 10.837 1.00 0.00 C ATOM 0 H THR A 928 0.723 -15.276 13.243 1.00 0.00 H new ATOM 0 HA THR A 928 2.053 -13.945 12.204 1.00 0.00 H new ATOM 0 HB THR A 928 2.883 -15.982 10.177 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.382 -16.764 11.810 1.00 0.00 H new ATOM 0 HG21 THR A 928 5.057 -14.860 10.510 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.788 -13.697 10.060 1.00 0.00 H new ATOM 0 HG23 THR A 928 4.325 -13.818 11.753 1.00 0.00 H new ATOM 153 N GLU A 929 0.347 -13.236 10.435 1.00 0.00 N ATOM 154 CA GLU A 929 -0.274 -12.666 9.292 1.00 0.00 C ATOM 155 C GLU A 929 0.003 -11.167 9.355 1.00 0.00 C ATOM 156 O GLU A 929 -0.184 -10.538 10.391 1.00 0.00 O ATOM 157 CB GLU A 929 -1.782 -12.947 9.228 1.00 0.00 C ATOM 158 CG GLU A 929 -2.579 -12.342 10.336 1.00 0.00 C ATOM 159 CD GLU A 929 -2.502 -13.116 11.626 1.00 0.00 C ATOM 160 OE1 GLU A 929 -3.221 -14.127 11.747 1.00 0.00 O ATOM 161 OE2 GLU A 929 -1.728 -12.740 12.521 1.00 0.00 O ATOM 0 H GLU A 929 0.207 -12.722 11.305 1.00 0.00 H new ATOM 0 HA GLU A 929 0.135 -13.114 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.167 -12.576 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -1.937 -14.026 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.229 -11.325 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -3.622 -12.271 10.026 1.00 0.00 H new ATOM 168 N PHE A 930 0.494 -10.600 8.295 1.00 0.00 N ATOM 169 CA PHE A 930 0.820 -9.196 8.267 1.00 0.00 C ATOM 170 C PHE A 930 0.044 -8.547 7.139 1.00 0.00 C ATOM 171 O PHE A 930 -0.153 -9.169 6.096 1.00 0.00 O ATOM 172 CB PHE A 930 2.338 -9.055 8.076 1.00 0.00 C ATOM 173 CG PHE A 930 2.852 -7.649 7.946 1.00 0.00 C ATOM 174 CD1 PHE A 930 2.811 -6.774 9.020 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.403 -7.213 6.751 1.00 0.00 C ATOM 176 CE1 PHE A 930 3.306 -5.490 8.902 1.00 0.00 C ATOM 177 CE2 PHE A 930 3.896 -5.930 6.627 1.00 0.00 C ATOM 178 CZ PHE A 930 3.849 -5.068 7.705 1.00 0.00 C ATOM 0 H PHE A 930 0.682 -11.093 7.422 1.00 0.00 H new ATOM 0 HA PHE A 930 0.546 -8.699 9.198 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.837 -9.528 8.922 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.626 -9.611 7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.388 -7.099 9.959 1.00 0.00 H new ATOM 0 HD2 PHE A 930 3.447 -7.885 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 930 3.268 -4.817 9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.318 -5.601 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 930 4.237 -4.064 7.612 1.00 0.00 H new ATOM 188 N THR A 931 -0.471 -7.357 7.361 1.00 0.00 N ATOM 189 CA THR A 931 -1.135 -6.649 6.293 1.00 0.00 C ATOM 190 C THR A 931 -0.057 -6.094 5.371 1.00 0.00 C ATOM 191 O THR A 931 0.786 -5.302 5.804 1.00 0.00 O ATOM 192 CB THR A 931 -2.016 -5.503 6.833 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.794 -5.987 7.940 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.949 -4.978 5.744 1.00 0.00 C ATOM 0 H THR A 931 -0.443 -6.868 8.256 1.00 0.00 H new ATOM 0 HA THR A 931 -1.795 -7.331 5.757 1.00 0.00 H new ATOM 0 HB THR A 931 -1.371 -4.687 7.158 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.354 -5.262 8.288 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.561 -4.171 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 931 -2.358 -4.603 4.908 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.595 -5.785 5.398 1.00 0.00 H new ATOM 202 N ASP A 932 -0.100 -6.484 4.117 1.00 0.00 N ATOM 203 CA ASP A 932 0.935 -6.092 3.174 1.00 0.00 C ATOM 204 C ASP A 932 0.348 -4.932 2.403 1.00 0.00 C ATOM 205 O ASP A 932 -0.880 -4.800 2.374 1.00 0.00 O ATOM 206 CB ASP A 932 1.279 -7.244 2.225 1.00 0.00 C ATOM 207 CG ASP A 932 2.668 -7.134 1.637 1.00 0.00 C ATOM 208 OD1 ASP A 932 2.924 -6.271 0.775 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.539 -7.918 2.052 1.00 0.00 O ATOM 0 H ASP A 932 -0.836 -7.070 3.723 1.00 0.00 H new ATOM 0 HA ASP A 932 1.861 -5.823 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.192 -8.188 2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.549 -7.270 1.416 1.00 0.00 H new ATOM 214 N GLU A 933 1.151 -4.081 1.807 1.00 0.00 N ATOM 215 CA GLU A 933 0.601 -2.916 1.151 1.00 0.00 C ATOM 216 C GLU A 933 1.557 -2.350 0.123 1.00 0.00 C ATOM 217 O GLU A 933 2.767 -2.590 0.192 1.00 0.00 O ATOM 218 CB GLU A 933 0.204 -1.869 2.209 1.00 0.00 C ATOM 219 CG GLU A 933 1.321 -1.348 3.109 1.00 0.00 C ATOM 220 CD GLU A 933 2.115 -0.212 2.499 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.595 0.921 2.478 1.00 0.00 O ATOM 222 OE2 GLU A 933 3.268 -0.425 2.075 1.00 0.00 O ATOM 0 H GLU A 933 2.166 -4.169 1.762 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.294 -3.210 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 933 -0.244 -1.018 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.570 -2.302 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 933 0.889 -1.012 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 933 1.999 -2.169 3.343 1.00 0.00 H new ATOM 229 N VAL A 934 1.000 -1.633 -0.839 1.00 0.00 N ATOM 230 CA VAL A 934 1.786 -0.913 -1.853 1.00 0.00 C ATOM 231 C VAL A 934 1.037 0.371 -2.206 1.00 0.00 C ATOM 232 O VAL A 934 -0.185 0.372 -2.210 1.00 0.00 O ATOM 233 CB VAL A 934 2.047 -1.732 -3.165 1.00 0.00 C ATOM 234 CG1 VAL A 934 2.731 -3.050 -2.885 1.00 0.00 C ATOM 235 CG2 VAL A 934 0.784 -1.987 -3.971 1.00 0.00 C ATOM 0 H VAL A 934 -0.009 -1.528 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 934 2.767 -0.717 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 934 2.708 -1.103 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 934 2.892 -3.583 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 934 3.691 -2.866 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 934 2.104 -3.653 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 934 1.032 -2.558 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 934 0.074 -2.551 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 934 0.338 -1.035 -4.260 1.00 0.00 H new ATOM 245 N TYR A 935 1.715 1.476 -2.446 1.00 0.00 N ATOM 246 CA TYR A 935 1.021 2.701 -2.819 1.00 0.00 C ATOM 247 C TYR A 935 1.094 2.949 -4.316 1.00 0.00 C ATOM 248 O TYR A 935 2.171 3.188 -4.862 1.00 0.00 O ATOM 249 CB TYR A 935 1.606 3.932 -2.131 1.00 0.00 C ATOM 250 CG TYR A 935 1.487 3.984 -0.627 1.00 0.00 C ATOM 251 CD1 TYR A 935 0.326 4.447 -0.024 1.00 0.00 C ATOM 252 CD2 TYR A 935 2.546 3.616 0.186 1.00 0.00 C ATOM 253 CE1 TYR A 935 0.223 4.533 1.348 1.00 0.00 C ATOM 254 CE2 TYR A 935 2.455 3.708 1.560 1.00 0.00 C ATOM 255 CZ TYR A 935 1.290 4.165 2.135 1.00 0.00 C ATOM 256 OH TYR A 935 1.193 4.264 3.503 1.00 0.00 O ATOM 0 H TYR A 935 2.730 1.555 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.012 2.555 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.662 3.999 -2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.119 4.816 -2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 935 -0.510 4.745 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 935 3.458 3.251 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 935 -0.690 4.887 1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 935 3.292 3.423 2.180 1.00 0.00 H new ATOM 0 HH TYR A 935 2.031 3.964 3.913 1.00 0.00 H new ATOM 266 N GLN A 936 -0.041 2.883 -4.976 1.00 0.00 N ATOM 267 CA GLN A 936 -0.135 3.274 -6.367 1.00 0.00 C ATOM 268 C GLN A 936 -0.264 4.783 -6.437 1.00 0.00 C ATOM 269 O GLN A 936 -1.003 5.368 -5.655 1.00 0.00 O ATOM 270 CB GLN A 936 -1.331 2.603 -7.037 1.00 0.00 C ATOM 271 CG GLN A 936 -2.667 2.845 -6.358 1.00 0.00 C ATOM 272 CD GLN A 936 -3.826 2.258 -7.134 1.00 0.00 C ATOM 273 OE1 GLN A 936 -4.824 1.836 -6.562 1.00 0.00 O ATOM 274 NE2 GLN A 936 -3.735 2.272 -8.441 1.00 0.00 N ATOM 0 H GLN A 936 -0.919 2.560 -4.569 1.00 0.00 H new ATOM 0 HA GLN A 936 0.762 2.955 -6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -1.395 2.954 -8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -1.150 1.529 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -2.647 2.411 -5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -2.821 3.917 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -2.892 2.629 -8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -4.508 1.926 -9.010 1.00 0.00 H new ATOM 283 N ASN A 937 0.440 5.411 -7.349 1.00 0.00 N ATOM 284 CA ASN A 937 0.448 6.864 -7.409 1.00 0.00 C ATOM 285 C ASN A 937 0.425 7.429 -8.818 1.00 0.00 C ATOM 286 O ASN A 937 0.704 6.740 -9.803 1.00 0.00 O ATOM 287 CB ASN A 937 1.603 7.508 -6.603 1.00 0.00 C ATOM 288 CG ASN A 937 3.032 7.133 -6.975 1.00 0.00 C ATOM 289 OD1 ASN A 937 3.288 5.895 -7.323 1.00 0.00 O flip ATOM 290 ND2 ASN A 937 3.929 7.965 -6.855 1.00 0.00 N flip ATOM 0 H ASN A 937 1.012 4.949 -8.056 1.00 0.00 H new ATOM 0 HA ASN A 937 -0.494 7.138 -6.933 1.00 0.00 H new ATOM 0 HB2 ASN A 937 1.508 8.590 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 937 1.456 7.260 -5.552 1.00 0.00 H new ATOM 0 HD21 ASN A 937 3.704 8.922 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 937 4.898 7.698 -7.027 1.00 0.00 H new ATOM 297 N GLU A 938 0.082 8.704 -8.865 1.00 0.00 N ATOM 298 CA GLU A 938 -0.026 9.506 -10.071 1.00 0.00 C ATOM 299 C GLU A 938 0.618 10.857 -9.780 1.00 0.00 C ATOM 300 O GLU A 938 0.828 11.209 -8.608 1.00 0.00 O ATOM 301 CB GLU A 938 -1.500 9.698 -10.438 1.00 0.00 C ATOM 302 CG GLU A 938 -2.177 8.468 -11.007 1.00 0.00 C ATOM 303 CD GLU A 938 -3.607 8.734 -11.414 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.515 8.630 -10.571 1.00 0.00 O ATOM 305 OE2 GLU A 938 -3.859 9.032 -12.598 1.00 0.00 O ATOM 0 H GLU A 938 -0.140 9.234 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 938 0.472 9.015 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.043 10.016 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -1.577 10.507 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -1.616 8.115 -11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.156 7.669 -10.266 1.00 0.00 H new ATOM 312 N SER A 939 0.967 11.588 -10.815 1.00 0.00 N ATOM 313 CA SER A 939 1.572 12.897 -10.659 1.00 0.00 C ATOM 314 C SER A 939 1.003 13.889 -11.666 1.00 0.00 C ATOM 315 O SER A 939 0.638 13.515 -12.776 1.00 0.00 O ATOM 316 CB SER A 939 3.091 12.780 -10.770 1.00 0.00 C ATOM 317 OG SER A 939 3.569 11.808 -9.850 1.00 0.00 O ATOM 0 H SER A 939 0.842 11.296 -11.784 1.00 0.00 H new ATOM 0 HA SER A 939 1.332 13.283 -9.668 1.00 0.00 H new ATOM 0 HB2 SER A 939 3.370 12.500 -11.786 1.00 0.00 H new ATOM 0 HB3 SER A 939 3.555 13.745 -10.567 1.00 0.00 H new ATOM 0 HG SER A 939 4.268 12.205 -9.289 1.00 0.00 H new ATOM 323 N ARG A 940 0.924 15.146 -11.265 1.00 0.00 N ATOM 324 CA ARG A 940 0.299 16.189 -12.034 1.00 0.00 C ATOM 325 C ARG A 940 0.865 17.535 -11.627 1.00 0.00 C ATOM 326 O ARG A 940 1.509 17.648 -10.585 1.00 0.00 O ATOM 327 CB ARG A 940 -1.191 16.241 -11.772 1.00 0.00 C ATOM 328 CG ARG A 940 -1.556 16.677 -10.367 1.00 0.00 C ATOM 329 CD ARG A 940 -2.975 17.159 -10.370 1.00 0.00 C ATOM 330 NE ARG A 940 -3.337 17.923 -9.182 1.00 0.00 N ATOM 331 CZ ARG A 940 -4.602 18.135 -8.810 1.00 0.00 C ATOM 332 NH1 ARG A 940 -5.585 17.455 -9.388 1.00 0.00 N ATOM 333 NH2 ARG A 940 -4.886 19.016 -7.864 1.00 0.00 N ATOM 0 H ARG A 940 1.303 15.469 -10.375 1.00 0.00 H new ATOM 0 HA ARG A 940 0.489 15.976 -13.086 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -1.651 16.926 -12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -1.617 15.255 -11.957 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -1.440 15.846 -9.671 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -0.888 17.470 -10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -3.137 17.778 -11.253 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -3.641 16.300 -10.456 1.00 0.00 H new ATOM 0 HE ARG A 940 -2.589 18.314 -8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -5.374 16.772 -10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -6.552 17.616 -9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -4.136 19.539 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -5.855 19.171 -7.586 1.00 0.00 H new ATOM 347 N TYR A 941 0.659 18.529 -12.477 1.00 0.00 N ATOM 348 CA TYR A 941 0.973 19.924 -12.146 1.00 0.00 C ATOM 349 C TYR A 941 0.130 20.314 -10.921 1.00 0.00 C ATOM 350 O TYR A 941 -0.864 19.635 -10.631 1.00 0.00 O ATOM 351 CB TYR A 941 0.552 20.863 -13.279 1.00 0.00 C ATOM 352 CG TYR A 941 0.689 20.295 -14.672 1.00 0.00 C ATOM 353 CD1 TYR A 941 1.926 20.202 -15.294 1.00 0.00 C ATOM 354 CD2 TYR A 941 -0.432 19.851 -15.363 1.00 0.00 C ATOM 355 CE1 TYR A 941 2.040 19.684 -16.568 1.00 0.00 C ATOM 356 CE2 TYR A 941 -0.324 19.334 -16.637 1.00 0.00 C ATOM 357 CZ TYR A 941 0.913 19.255 -17.235 1.00 0.00 C ATOM 358 OH TYR A 941 1.021 18.749 -18.507 1.00 0.00 O ATOM 0 H TYR A 941 0.272 18.400 -13.412 1.00 0.00 H new ATOM 0 HA TYR A 941 2.045 20.010 -11.971 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.487 21.151 -13.123 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.148 21.773 -13.215 1.00 0.00 H new ATOM 0 HD1 TYR A 941 2.811 20.539 -14.774 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -1.403 19.912 -14.895 1.00 0.00 H new ATOM 0 HE1 TYR A 941 3.009 19.615 -17.040 1.00 0.00 H new ATOM 0 HE2 TYR A 941 -1.204 18.993 -17.162 1.00 0.00 H new ATOM 0 HH TYR A 941 0.133 18.492 -18.833 1.00 0.00 H new ATOM 368 N PRO A 942 0.463 21.394 -10.192 1.00 0.00 N ATOM 369 CA PRO A 942 -0.336 21.835 -9.043 1.00 0.00 C ATOM 370 C PRO A 942 -1.709 22.363 -9.459 1.00 0.00 C ATOM 371 O PRO A 942 -1.932 23.571 -9.547 1.00 0.00 O ATOM 372 CB PRO A 942 0.504 22.947 -8.408 1.00 0.00 C ATOM 373 CG PRO A 942 1.854 22.847 -9.034 1.00 0.00 C ATOM 374 CD PRO A 942 1.635 22.256 -10.395 1.00 0.00 C ATOM 0 HA PRO A 942 -0.544 21.012 -8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 942 0.060 23.925 -8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 942 0.564 22.822 -7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 942 2.325 23.828 -9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 942 2.515 22.219 -8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.446 23.025 -11.144 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.501 21.687 -10.733 1.00 0.00 H new ATOM 382 N GLY A 943 -2.609 21.439 -9.740 1.00 0.00 N ATOM 383 CA GLY A 943 -3.911 21.774 -10.244 1.00 0.00 C ATOM 384 C GLY A 943 -3.955 21.444 -11.718 1.00 0.00 C ATOM 385 O GLY A 943 -3.883 22.336 -12.565 1.00 0.00 O ATOM 0 H GLY A 943 -2.450 20.438 -9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -4.679 21.217 -9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -4.117 22.833 -10.087 1.00 0.00 H new ATOM 389 N GLY A 944 -4.035 20.160 -12.037 1.00 0.00 N ATOM 390 CA GLY A 944 -3.998 19.742 -13.420 1.00 0.00 C ATOM 391 C GLY A 944 -4.452 18.304 -13.598 1.00 0.00 C ATOM 392 O GLY A 944 -5.226 17.783 -12.795 1.00 0.00 O ATOM 0 H GLY A 944 -4.125 19.401 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.635 20.398 -14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.984 19.851 -13.803 1.00 0.00 H new ATOM 396 N ASP A 945 -3.902 17.668 -14.613 1.00 0.00 N ATOM 397 CA ASP A 945 -4.246 16.286 -14.966 1.00 0.00 C ATOM 398 C ASP A 945 -3.177 15.340 -14.463 1.00 0.00 C ATOM 399 O ASP A 945 -1.991 15.592 -14.689 1.00 0.00 O ATOM 400 CB ASP A 945 -4.380 16.112 -16.481 1.00 0.00 C ATOM 401 CG ASP A 945 -4.786 14.703 -16.869 1.00 0.00 C ATOM 402 OD1 ASP A 945 -5.973 14.348 -16.693 1.00 0.00 O ATOM 403 OD2 ASP A 945 -3.946 13.940 -17.384 1.00 0.00 O ATOM 0 H ASP A 945 -3.201 18.087 -15.224 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.204 16.058 -14.498 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -5.119 16.817 -16.861 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -3.431 16.358 -16.957 1.00 0.00 H new ATOM 408 N TRP A 946 -3.569 14.282 -13.766 1.00 0.00 N ATOM 409 CA TRP A 946 -2.631 13.311 -13.298 1.00 0.00 C ATOM 410 C TRP A 946 -2.348 12.351 -14.423 1.00 0.00 C ATOM 411 O TRP A 946 -3.258 11.932 -15.133 1.00 0.00 O ATOM 412 CB TRP A 946 -3.187 12.467 -12.159 1.00 0.00 C ATOM 413 CG TRP A 946 -3.794 13.180 -11.023 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.090 13.544 -10.868 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.115 13.555 -9.841 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.248 14.141 -9.651 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.049 14.166 -9.006 1.00 0.00 C ATOM 418 CE3 TRP A 946 -1.798 13.440 -9.419 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -3.710 14.664 -7.761 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.462 13.936 -8.188 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.411 14.542 -7.374 1.00 0.00 C ATOM 0 H TRP A 946 -4.539 14.087 -13.519 1.00 0.00 H new ATOM 0 HA TRP A 946 -1.750 13.852 -12.953 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -3.937 11.793 -12.574 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -2.378 11.846 -11.774 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -5.874 13.386 -11.593 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.125 14.510 -9.283 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.055 12.970 -10.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.446 15.130 -7.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.442 13.855 -7.844 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.110 14.926 -6.410 1.00 0.00 H new ATOM 432 N LYS A 947 -1.115 11.986 -14.544 1.00 0.00 N ATOM 433 CA LYS A 947 -0.687 10.948 -15.432 1.00 0.00 C ATOM 434 C LYS A 947 -0.121 9.943 -14.460 1.00 0.00 C ATOM 435 O LYS A 947 0.079 10.324 -13.303 1.00 0.00 O ATOM 436 CB LYS A 947 0.415 11.412 -16.417 1.00 0.00 C ATOM 437 CG LYS A 947 0.005 12.458 -17.456 1.00 0.00 C ATOM 438 CD LYS A 947 -0.215 13.841 -16.867 1.00 0.00 C ATOM 439 CE LYS A 947 -0.554 14.860 -17.946 1.00 0.00 C ATOM 440 NZ LYS A 947 -1.759 14.480 -18.726 1.00 0.00 N ATOM 0 H LYS A 947 -0.354 12.411 -14.015 1.00 0.00 H new ATOM 0 HA LYS A 947 -1.490 10.583 -16.073 1.00 0.00 H new ATOM 0 HB2 LYS A 947 1.244 11.815 -15.836 1.00 0.00 H new ATOM 0 HB3 LYS A 947 0.792 10.536 -16.945 1.00 0.00 H new ATOM 0 HG2 LYS A 947 0.776 12.517 -18.225 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -0.911 12.131 -17.948 1.00 0.00 H new ATOM 0 HD2 LYS A 947 -1.022 13.802 -16.136 1.00 0.00 H new ATOM 0 HD3 LYS A 947 0.682 14.158 -16.335 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -0.716 15.834 -17.484 1.00 0.00 H new ATOM 0 HE3 LYS A 947 0.295 14.965 -18.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -2.098 15.303 -19.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 -1.519 13.711 -19.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -2.506 14.160 -18.077 1.00 0.00 H new ATOM 454 N PRO A 948 0.106 8.680 -14.819 1.00 0.00 N ATOM 455 CA PRO A 948 0.745 7.748 -13.895 1.00 0.00 C ATOM 456 C PRO A 948 2.084 8.309 -13.415 1.00 0.00 C ATOM 457 O PRO A 948 2.733 9.075 -14.139 1.00 0.00 O ATOM 458 CB PRO A 948 0.954 6.490 -14.743 1.00 0.00 C ATOM 459 CG PRO A 948 -0.075 6.584 -15.819 1.00 0.00 C ATOM 460 CD PRO A 948 -0.245 8.051 -16.100 1.00 0.00 C ATOM 0 HA PRO A 948 0.155 7.559 -12.998 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.961 6.456 -15.160 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.824 5.586 -14.149 1.00 0.00 H new ATOM 0 HG2 PRO A 948 0.245 6.050 -16.713 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -1.016 6.136 -15.500 1.00 0.00 H new ATOM 0 HD2 PRO A 948 0.409 8.385 -16.905 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -1.266 8.288 -16.399 1.00 0.00 H new ATOM 468 N ALA A 949 2.476 7.974 -12.194 1.00 0.00 N ATOM 469 CA ALA A 949 3.769 8.423 -11.677 1.00 0.00 C ATOM 470 C ALA A 949 4.927 7.781 -12.467 1.00 0.00 C ATOM 471 O ALA A 949 4.712 7.095 -13.475 1.00 0.00 O ATOM 472 CB ALA A 949 3.888 8.093 -10.201 1.00 0.00 C ATOM 0 H ALA A 949 1.931 7.402 -11.549 1.00 0.00 H new ATOM 0 HA ALA A 949 3.831 9.504 -11.800 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.855 8.432 -9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 949 3.091 8.594 -9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 949 3.804 7.015 -10.061 1.00 0.00 H new ATOM 478 N GLU A 950 6.152 7.957 -11.990 1.00 0.00 N ATOM 479 CA GLU A 950 7.301 7.378 -12.684 1.00 0.00 C ATOM 480 C GLU A 950 7.347 5.958 -12.284 1.00 0.00 C ATOM 481 O GLU A 950 7.601 5.034 -13.063 1.00 0.00 O ATOM 482 CB GLU A 950 8.612 7.989 -12.245 1.00 0.00 C ATOM 483 CG GLU A 950 8.645 9.455 -12.436 1.00 0.00 C ATOM 484 CD GLU A 950 10.005 10.042 -12.143 1.00 0.00 C ATOM 485 OE1 GLU A 950 10.339 10.238 -10.958 1.00 0.00 O ATOM 486 OE2 GLU A 950 10.776 10.292 -13.089 1.00 0.00 O ATOM 0 H GLU A 950 6.376 8.483 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 950 7.185 7.545 -13.755 1.00 0.00 H new ATOM 0 HB2 GLU A 950 8.782 7.759 -11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 950 9.428 7.534 -12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.363 9.692 -13.462 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.904 9.920 -11.786 1.00 0.00 H new ATOM 493 N ASP A 951 7.042 5.806 -11.036 1.00 0.00 N ATOM 494 CA ASP A 951 7.044 4.546 -10.432 1.00 0.00 C ATOM 495 C ASP A 951 5.615 4.350 -10.006 1.00 0.00 C ATOM 496 O ASP A 951 5.195 4.956 -9.030 1.00 0.00 O ATOM 497 CB ASP A 951 7.982 4.496 -9.223 1.00 0.00 C ATOM 498 CG ASP A 951 9.377 4.984 -9.533 1.00 0.00 C ATOM 499 OD1 ASP A 951 10.155 4.229 -10.141 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.705 6.145 -9.186 1.00 0.00 O ATOM 0 H ASP A 951 6.784 6.572 -10.414 1.00 0.00 H new ATOM 0 HA ASP A 951 7.401 3.768 -11.107 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.562 5.102 -8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 951 8.036 3.471 -8.855 1.00 0.00 H new ATOM 505 N THR A 952 4.850 3.618 -10.787 1.00 0.00 N ATOM 506 CA THR A 952 3.423 3.509 -10.547 1.00 0.00 C ATOM 507 C THR A 952 3.134 2.885 -9.182 1.00 0.00 C ATOM 508 O THR A 952 2.346 3.422 -8.399 1.00 0.00 O ATOM 509 CB THR A 952 2.747 2.719 -11.674 1.00 0.00 C ATOM 510 OG1 THR A 952 3.125 3.298 -12.932 1.00 0.00 O ATOM 511 CG2 THR A 952 1.229 2.760 -11.543 1.00 0.00 C ATOM 0 H THR A 952 5.189 3.090 -11.592 1.00 0.00 H new ATOM 0 HA THR A 952 3.004 4.515 -10.538 1.00 0.00 H new ATOM 0 HB THR A 952 3.068 1.679 -11.613 1.00 0.00 H new ATOM 0 HG1 THR A 952 2.700 2.801 -13.662 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.778 2.191 -12.356 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.934 2.324 -10.588 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.887 3.794 -11.591 1.00 0.00 H new ATOM 519 N TYR A 953 3.755 1.762 -8.896 1.00 0.00 N ATOM 520 CA TYR A 953 3.641 1.169 -7.588 1.00 0.00 C ATOM 521 C TYR A 953 4.898 1.470 -6.786 1.00 0.00 C ATOM 522 O TYR A 953 6.011 1.327 -7.287 1.00 0.00 O ATOM 523 CB TYR A 953 3.315 -0.319 -7.703 1.00 0.00 C ATOM 524 CG TYR A 953 1.888 -0.496 -8.174 1.00 0.00 C ATOM 525 CD1 TYR A 953 1.569 -0.554 -9.526 1.00 0.00 C ATOM 526 CD2 TYR A 953 0.848 -0.538 -7.256 1.00 0.00 C ATOM 527 CE1 TYR A 953 0.257 -0.647 -9.947 1.00 0.00 C ATOM 528 CE2 TYR A 953 -0.466 -0.645 -7.669 1.00 0.00 C ATOM 529 CZ TYR A 953 -0.756 -0.695 -9.016 1.00 0.00 C ATOM 530 OH TYR A 953 -2.064 -0.774 -9.428 1.00 0.00 O ATOM 0 H TYR A 953 4.341 1.245 -9.551 1.00 0.00 H new ATOM 0 HA TYR A 953 2.808 1.608 -7.039 1.00 0.00 H new ATOM 0 HB2 TYR A 953 4.000 -0.798 -8.402 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.452 -0.806 -6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 953 2.361 -0.526 -10.260 1.00 0.00 H new ATOM 0 HD2 TYR A 953 1.070 -0.486 -6.200 1.00 0.00 H new ATOM 0 HE1 TYR A 953 0.027 -0.682 -11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -1.262 -0.689 -6.940 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.653 -0.800 -8.645 1.00 0.00 H new ATOM 540 N THR A 954 4.715 1.914 -5.559 1.00 0.00 N ATOM 541 CA THR A 954 5.794 2.409 -4.717 1.00 0.00 C ATOM 542 C THR A 954 5.581 2.004 -3.277 1.00 0.00 C ATOM 543 O THR A 954 4.581 1.383 -2.934 1.00 0.00 O ATOM 544 CB THR A 954 5.883 3.959 -4.777 1.00 0.00 C ATOM 545 OG1 THR A 954 4.590 4.565 -4.607 1.00 0.00 O ATOM 546 CG2 THR A 954 6.505 4.440 -6.073 1.00 0.00 C ATOM 0 H THR A 954 3.800 1.943 -5.109 1.00 0.00 H new ATOM 0 HA THR A 954 6.719 1.972 -5.094 1.00 0.00 H new ATOM 0 HB THR A 954 6.528 4.265 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 954 3.895 3.879 -4.682 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.548 5.529 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.514 4.037 -6.164 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.901 4.100 -6.914 1.00 0.00 H new ATOM 554 N ASP A 955 6.539 2.363 -2.466 1.00 0.00 N ATOM 555 CA ASP A 955 6.467 2.242 -1.030 1.00 0.00 C ATOM 556 C ASP A 955 6.239 3.665 -0.549 1.00 0.00 C ATOM 557 O ASP A 955 6.317 4.584 -1.378 1.00 0.00 O ATOM 558 CB ASP A 955 7.803 1.681 -0.497 1.00 0.00 C ATOM 559 CG ASP A 955 7.909 1.639 1.016 1.00 0.00 C ATOM 560 OD1 ASP A 955 7.472 0.646 1.637 1.00 0.00 O ATOM 561 OD2 ASP A 955 8.446 2.601 1.612 1.00 0.00 O ATOM 0 H ASP A 955 7.419 2.760 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 955 5.682 1.568 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 955 7.940 0.672 -0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.619 2.288 -0.889 1.00 0.00 H new ATOM 566 N ALA A 956 5.952 3.872 0.724 1.00 0.00 N ATOM 567 CA ALA A 956 5.838 5.217 1.274 1.00 0.00 C ATOM 568 C ALA A 956 7.080 6.035 0.926 1.00 0.00 C ATOM 569 O ALA A 956 6.973 7.200 0.545 1.00 0.00 O ATOM 570 CB ALA A 956 5.643 5.169 2.783 1.00 0.00 C ATOM 0 H ALA A 956 5.793 3.125 1.400 1.00 0.00 H new ATOM 0 HA ALA A 956 4.964 5.696 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 956 5.560 6.184 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 956 4.732 4.616 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 956 6.496 4.672 3.245 1.00 0.00 H new ATOM 576 N ASN A 957 8.237 5.379 0.945 1.00 0.00 N ATOM 577 CA ASN A 957 9.515 6.019 0.618 1.00 0.00 C ATOM 578 C ASN A 957 9.671 6.299 -0.882 1.00 0.00 C ATOM 579 O ASN A 957 10.602 6.981 -1.293 1.00 0.00 O ATOM 580 CB ASN A 957 10.694 5.157 1.086 1.00 0.00 C ATOM 581 CG ASN A 957 10.784 5.008 2.592 1.00 0.00 C ATOM 582 OD1 ASN A 957 11.437 5.806 3.274 1.00 0.00 O ATOM 583 ND2 ASN A 957 10.153 3.982 3.124 1.00 0.00 N ATOM 0 H ASN A 957 8.319 4.391 1.186 1.00 0.00 H new ATOM 0 HA ASN A 957 9.516 6.974 1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 957 10.609 4.167 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 957 11.621 5.596 0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 957 10.193 3.825 4.131 1.00 0.00 H new ATOM 0 HD22 ASN A 957 9.624 3.344 2.529 1.00 0.00 H new ATOM 590 N GLY A 958 8.781 5.769 -1.711 1.00 0.00 N ATOM 591 CA GLY A 958 8.877 6.003 -3.141 1.00 0.00 C ATOM 592 C GLY A 958 9.607 4.899 -3.847 1.00 0.00 C ATOM 593 O GLY A 958 9.714 4.909 -5.075 1.00 0.00 O ATOM 0 H GLY A 958 7.997 5.184 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.875 6.100 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 958 9.390 6.948 -3.319 1.00 0.00 H new ATOM 597 N ASP A 959 10.172 4.001 -3.061 1.00 0.00 N ATOM 598 CA ASP A 959 10.840 2.830 -3.595 1.00 0.00 C ATOM 599 C ASP A 959 9.856 2.033 -4.420 1.00 0.00 C ATOM 600 O ASP A 959 8.893 1.482 -3.890 1.00 0.00 O ATOM 601 CB ASP A 959 11.440 1.960 -2.489 1.00 0.00 C ATOM 602 CG ASP A 959 12.172 0.755 -3.048 1.00 0.00 C ATOM 603 OD1 ASP A 959 13.202 0.936 -3.744 1.00 0.00 O ATOM 604 OD2 ASP A 959 11.753 -0.396 -2.786 1.00 0.00 O ATOM 0 H ASP A 959 10.181 4.062 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 959 11.667 3.162 -4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 959 12.129 2.557 -1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 959 10.647 1.625 -1.821 1.00 0.00 H new ATOM 609 N LYS A 960 10.039 2.130 -5.725 1.00 0.00 N ATOM 610 CA LYS A 960 9.224 1.429 -6.712 1.00 0.00 C ATOM 611 C LYS A 960 9.059 -0.030 -6.327 1.00 0.00 C ATOM 612 O LYS A 960 10.042 -0.757 -6.146 1.00 0.00 O ATOM 613 CB LYS A 960 9.867 1.575 -8.101 1.00 0.00 C ATOM 614 CG LYS A 960 9.089 0.979 -9.276 1.00 0.00 C ATOM 615 CD LYS A 960 9.348 -0.505 -9.493 1.00 0.00 C ATOM 616 CE LYS A 960 8.663 -0.987 -10.760 1.00 0.00 C ATOM 617 NZ LYS A 960 9.019 -2.386 -11.101 1.00 0.00 N ATOM 0 H LYS A 960 10.770 2.708 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 960 8.228 1.872 -6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 960 10.021 2.636 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 960 10.852 1.110 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 960 8.023 1.132 -9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 960 9.350 1.521 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 960 10.421 -0.686 -9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 960 8.983 -1.073 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 960 7.583 -0.910 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 960 8.937 -0.334 -11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 8.526 -2.667 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 10.046 -2.457 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 8.734 -3.016 -10.324 1.00 0.00 H new ATOM 631 N ALA A 961 7.815 -0.433 -6.221 1.00 0.00 N ATOM 632 CA ALA A 961 7.460 -1.760 -5.793 1.00 0.00 C ATOM 633 C ALA A 961 6.759 -2.494 -6.917 1.00 0.00 C ATOM 634 O ALA A 961 6.415 -1.891 -7.940 1.00 0.00 O ATOM 635 CB ALA A 961 6.576 -1.697 -4.555 1.00 0.00 C ATOM 0 H ALA A 961 7.013 0.161 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 961 8.368 -2.306 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 961 6.315 -2.708 -4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 961 7.113 -1.195 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 961 5.666 -1.142 -4.785 1.00 0.00 H new ATOM 641 N ALA A 962 6.589 -3.788 -6.744 1.00 0.00 N ATOM 642 CA ALA A 962 5.880 -4.608 -7.706 1.00 0.00 C ATOM 643 C ALA A 962 4.389 -4.296 -7.654 1.00 0.00 C ATOM 644 O ALA A 962 3.891 -3.780 -6.653 1.00 0.00 O ATOM 645 CB ALA A 962 6.139 -6.081 -7.431 1.00 0.00 C ATOM 0 H ALA A 962 6.937 -4.301 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 962 6.244 -4.382 -8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 962 5.601 -6.687 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.207 -6.283 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 962 5.794 -6.330 -6.427 1.00 0.00 H new ATOM 651 N SER A 963 3.680 -4.577 -8.724 1.00 0.00 N ATOM 652 CA SER A 963 2.273 -4.298 -8.771 1.00 0.00 C ATOM 653 C SER A 963 1.522 -5.524 -8.230 1.00 0.00 C ATOM 654 O SER A 963 2.028 -6.626 -8.335 1.00 0.00 O ATOM 655 CB SER A 963 1.882 -3.993 -10.210 1.00 0.00 C ATOM 656 OG SER A 963 2.927 -3.316 -10.905 1.00 0.00 O ATOM 0 H SER A 963 4.060 -4.999 -9.571 1.00 0.00 H new ATOM 0 HA SER A 963 2.017 -3.433 -8.159 1.00 0.00 H new ATOM 0 HB2 SER A 963 1.642 -4.922 -10.727 1.00 0.00 H new ATOM 0 HB3 SER A 963 0.980 -3.380 -10.221 1.00 0.00 H new ATOM 0 HG SER A 963 2.864 -2.353 -10.734 1.00 0.00 H new ATOM 662 N PRO A 964 0.347 -5.333 -7.612 1.00 0.00 N ATOM 663 CA PRO A 964 -0.458 -6.397 -6.971 1.00 0.00 C ATOM 664 C PRO A 964 -0.606 -7.721 -7.744 1.00 0.00 C ATOM 665 O PRO A 964 -0.597 -8.788 -7.138 1.00 0.00 O ATOM 666 CB PRO A 964 -1.834 -5.769 -6.798 1.00 0.00 C ATOM 667 CG PRO A 964 -1.725 -4.337 -7.205 1.00 0.00 C ATOM 668 CD PRO A 964 -0.273 -4.028 -7.437 1.00 0.00 C ATOM 0 HA PRO A 964 0.050 -6.700 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -2.572 -6.287 -7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -2.165 -5.850 -5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -2.303 -4.154 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -2.133 -3.689 -6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 964 -0.135 -3.401 -8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.160 -3.492 -6.593 1.00 0.00 H new ATOM 676 N SER A 965 -0.751 -7.664 -9.058 1.00 0.00 N ATOM 677 CA SER A 965 -0.911 -8.878 -9.849 1.00 0.00 C ATOM 678 C SER A 965 0.435 -9.596 -9.955 1.00 0.00 C ATOM 679 O SER A 965 0.534 -10.825 -9.863 1.00 0.00 O ATOM 680 CB SER A 965 -1.467 -8.517 -11.225 1.00 0.00 C ATOM 681 OG SER A 965 -2.685 -7.789 -11.090 1.00 0.00 O ATOM 0 H SER A 965 -0.762 -6.799 -9.598 1.00 0.00 H new ATOM 0 HA SER A 965 -1.617 -9.554 -9.367 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.738 -7.921 -11.775 1.00 0.00 H new ATOM 0 HB3 SER A 965 -1.640 -9.424 -11.805 1.00 0.00 H new ATOM 0 HG SER A 965 -3.031 -7.562 -11.978 1.00 0.00 H new ATOM 687 N GLU A 966 1.457 -8.792 -10.165 1.00 0.00 N ATOM 688 CA GLU A 966 2.848 -9.223 -10.166 1.00 0.00 C ATOM 689 C GLU A 966 3.260 -9.725 -8.769 1.00 0.00 C ATOM 690 O GLU A 966 4.107 -10.615 -8.636 1.00 0.00 O ATOM 691 CB GLU A 966 3.689 -8.025 -10.614 1.00 0.00 C ATOM 692 CG GLU A 966 5.188 -8.220 -10.618 1.00 0.00 C ATOM 693 CD GLU A 966 5.901 -6.977 -11.099 1.00 0.00 C ATOM 694 OE1 GLU A 966 5.494 -5.846 -10.736 1.00 0.00 O ATOM 695 OE2 GLU A 966 6.876 -7.096 -11.866 1.00 0.00 O ATOM 0 H GLU A 966 1.345 -7.794 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 966 3.002 -10.059 -10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 966 3.378 -7.747 -11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 966 3.456 -7.182 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 966 5.527 -8.471 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 966 5.446 -9.062 -11.261 1.00 0.00 H new ATOM 702 N LEU A 967 2.624 -9.186 -7.741 1.00 0.00 N ATOM 703 CA LEU A 967 2.860 -9.568 -6.369 1.00 0.00 C ATOM 704 C LEU A 967 2.243 -10.925 -6.078 1.00 0.00 C ATOM 705 O LEU A 967 1.038 -11.136 -6.229 1.00 0.00 O ATOM 706 CB LEU A 967 2.316 -8.474 -5.453 1.00 0.00 C ATOM 707 CG LEU A 967 3.220 -7.246 -5.346 1.00 0.00 C ATOM 708 CD1 LEU A 967 2.512 -6.111 -4.642 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.497 -7.600 -4.604 1.00 0.00 C ATOM 0 H LEU A 967 1.917 -8.458 -7.845 1.00 0.00 H new ATOM 0 HA LEU A 967 3.930 -9.669 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.338 -8.162 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.166 -8.890 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 967 3.470 -6.920 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.178 -5.250 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 967 1.617 -5.838 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.230 -6.425 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.133 -6.718 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.250 -7.950 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.025 -8.386 -5.143 1.00 0.00 H new ATOM 721 N THR A 968 3.089 -11.846 -5.687 1.00 0.00 N ATOM 722 CA THR A 968 2.688 -13.210 -5.437 1.00 0.00 C ATOM 723 C THR A 968 3.068 -13.641 -4.032 1.00 0.00 C ATOM 724 O THR A 968 3.789 -12.934 -3.326 1.00 0.00 O ATOM 725 CB THR A 968 3.325 -14.160 -6.472 1.00 0.00 C ATOM 726 OG1 THR A 968 4.739 -13.908 -6.584 1.00 0.00 O ATOM 727 CG2 THR A 968 2.668 -13.989 -7.825 1.00 0.00 C ATOM 0 H THR A 968 4.082 -11.670 -5.532 1.00 0.00 H new ATOM 0 HA THR A 968 1.603 -13.262 -5.531 1.00 0.00 H new ATOM 0 HB THR A 968 3.173 -15.184 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 968 5.129 -14.520 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 968 3.130 -14.667 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 968 1.605 -14.216 -7.744 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.795 -12.961 -8.164 1.00 0.00 H new ATOM 735 N CYS A 969 2.567 -14.776 -3.606 1.00 0.00 N ATOM 736 CA CYS A 969 2.924 -15.291 -2.307 1.00 0.00 C ATOM 737 C CYS A 969 4.148 -16.190 -2.424 1.00 0.00 C ATOM 738 O CYS A 969 4.324 -16.879 -3.432 1.00 0.00 O ATOM 739 CB CYS A 969 1.746 -16.036 -1.685 1.00 0.00 C ATOM 740 SG CYS A 969 1.050 -17.339 -2.725 1.00 0.00 S ATOM 0 H CYS A 969 1.916 -15.356 -4.135 1.00 0.00 H new ATOM 0 HA CYS A 969 3.173 -14.458 -1.649 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.068 -16.475 -0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 969 0.961 -15.317 -1.451 1.00 0.00 H new ATOM 0 HG CYS A 969 0.060 -17.908 -2.104 1.00 0.00 H new ATOM 746 N PRO A 970 5.074 -16.083 -1.474 1.00 0.00 N ATOM 747 CA PRO A 970 6.236 -16.972 -1.391 1.00 0.00 C ATOM 748 C PRO A 970 5.855 -18.322 -0.763 1.00 0.00 C ATOM 749 O PRO A 970 4.723 -18.471 -0.288 1.00 0.00 O ATOM 750 CB PRO A 970 7.178 -16.182 -0.478 1.00 0.00 C ATOM 751 CG PRO A 970 6.265 -15.455 0.426 1.00 0.00 C ATOM 752 CD PRO A 970 5.113 -15.035 -0.440 1.00 0.00 C ATOM 0 HA PRO A 970 6.671 -17.221 -2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 970 7.846 -16.842 0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 970 7.806 -15.497 -1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 970 5.931 -16.092 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 970 6.757 -14.592 0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.181 -14.989 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.273 -14.047 -0.873 1.00 0.00 H new ATOM 760 N PRO A 971 6.773 -19.317 -0.754 1.00 0.00 N ATOM 761 CA PRO A 971 6.522 -20.641 -0.159 1.00 0.00 C ATOM 762 C PRO A 971 5.867 -20.597 1.225 1.00 0.00 C ATOM 763 O PRO A 971 4.917 -21.331 1.489 1.00 0.00 O ATOM 764 CB PRO A 971 7.921 -21.240 -0.050 1.00 0.00 C ATOM 765 CG PRO A 971 8.671 -20.641 -1.183 1.00 0.00 C ATOM 766 CD PRO A 971 8.119 -19.254 -1.367 1.00 0.00 C ATOM 0 HA PRO A 971 5.819 -21.211 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 971 8.384 -20.996 0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 971 7.894 -22.327 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 971 9.739 -20.609 -0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 971 8.545 -21.233 -2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 971 8.745 -18.508 -0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.065 -18.983 -2.421 1.00 0.00 H new ATOM 774 N GLY A 972 6.338 -19.710 2.083 1.00 0.00 N ATOM 775 CA GLY A 972 5.855 -19.643 3.432 1.00 0.00 C ATOM 776 C GLY A 972 4.889 -18.504 3.674 1.00 0.00 C ATOM 777 O GLY A 972 4.758 -18.047 4.795 1.00 0.00 O ATOM 0 H GLY A 972 7.060 -19.025 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 972 5.364 -20.584 3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 972 6.704 -19.538 4.108 1.00 0.00 H new ATOM 781 N TRP A 973 4.244 -18.009 2.635 1.00 0.00 N ATOM 782 CA TRP A 973 3.186 -17.027 2.809 1.00 0.00 C ATOM 783 C TRP A 973 1.992 -17.365 1.940 1.00 0.00 C ATOM 784 O TRP A 973 2.125 -17.810 0.807 1.00 0.00 O ATOM 785 CB TRP A 973 3.640 -15.579 2.603 1.00 0.00 C ATOM 786 CG TRP A 973 4.355 -14.974 3.778 1.00 0.00 C ATOM 787 CD1 TRP A 973 5.699 -14.789 3.898 1.00 0.00 C ATOM 788 CD2 TRP A 973 3.774 -14.487 5.003 1.00 0.00 C ATOM 789 NE1 TRP A 973 5.988 -14.206 5.104 1.00 0.00 N ATOM 790 CE2 TRP A 973 4.828 -14.011 5.798 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.473 -14.402 5.505 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.623 -13.459 7.059 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.271 -13.862 6.771 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.345 -13.399 7.529 1.00 0.00 C ATOM 0 H TRP A 973 4.431 -18.267 1.666 1.00 0.00 H new ATOM 0 HA TRP A 973 2.888 -17.086 3.856 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.297 -15.538 1.734 1.00 0.00 H new ATOM 0 HB3 TRP A 973 2.768 -14.968 2.372 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.430 -15.062 3.152 1.00 0.00 H new ATOM 0 HE1 TRP A 973 6.921 -13.957 5.431 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.636 -14.751 4.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.451 -13.090 7.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.270 -13.801 7.171 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.161 -12.984 8.509 1.00 0.00 H new ATOM 805 N GLU A 974 0.845 -17.204 2.530 1.00 0.00 N ATOM 806 CA GLU A 974 -0.446 -17.531 1.967 1.00 0.00 C ATOM 807 C GLU A 974 -1.269 -16.252 1.882 1.00 0.00 C ATOM 808 O GLU A 974 -1.282 -15.474 2.816 1.00 0.00 O ATOM 809 CB GLU A 974 -1.069 -18.525 2.954 1.00 0.00 C ATOM 810 CG GLU A 974 -2.538 -18.826 2.817 1.00 0.00 C ATOM 811 CD GLU A 974 -2.870 -19.581 1.553 1.00 0.00 C ATOM 812 OE1 GLU A 974 -2.804 -20.826 1.553 1.00 0.00 O ATOM 813 OE2 GLU A 974 -3.210 -18.952 0.533 1.00 0.00 O ATOM 0 H GLU A 974 0.773 -16.819 3.472 1.00 0.00 H new ATOM 0 HA GLU A 974 -0.391 -17.959 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 974 -0.525 -19.466 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.897 -18.148 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -2.866 -19.408 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -3.098 -17.891 2.833 1.00 0.00 H new ATOM 820 N TRP A 975 -1.873 -15.964 0.760 1.00 0.00 N ATOM 821 CA TRP A 975 -2.770 -14.812 0.711 1.00 0.00 C ATOM 822 C TRP A 975 -4.095 -15.154 1.365 1.00 0.00 C ATOM 823 O TRP A 975 -4.938 -15.804 0.748 1.00 0.00 O ATOM 824 CB TRP A 975 -3.016 -14.305 -0.714 1.00 0.00 C ATOM 825 CG TRP A 975 -1.813 -13.750 -1.373 1.00 0.00 C ATOM 826 CD1 TRP A 975 -1.199 -14.254 -2.464 1.00 0.00 C ATOM 827 CD2 TRP A 975 -1.078 -12.582 -0.986 1.00 0.00 C ATOM 828 NE1 TRP A 975 -0.127 -13.479 -2.792 1.00 0.00 N ATOM 829 CE2 TRP A 975 -0.019 -12.448 -1.895 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.212 -11.642 0.040 1.00 0.00 C ATOM 831 CZ2 TRP A 975 0.908 -11.413 -1.807 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.294 -10.613 0.123 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.756 -10.509 -0.793 1.00 0.00 C ATOM 0 H TRP A 975 -1.774 -16.484 -0.112 1.00 0.00 H new ATOM 0 HA TRP A 975 -2.276 -14.009 1.258 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.403 -15.125 -1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.789 -13.537 -0.687 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.511 -15.140 -2.998 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.498 -13.641 -3.582 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -2.018 -11.719 0.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.719 -11.327 -2.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.389 -9.878 0.908 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.462 -9.697 -0.698 1.00 0.00 H new ATOM 844 N GLU A 976 -4.267 -14.756 2.624 1.00 0.00 N ATOM 845 CA GLU A 976 -5.525 -15.006 3.305 1.00 0.00 C ATOM 846 C GLU A 976 -6.603 -14.126 2.685 1.00 0.00 C ATOM 847 O GLU A 976 -7.760 -14.531 2.541 1.00 0.00 O ATOM 848 CB GLU A 976 -5.446 -14.759 4.822 1.00 0.00 C ATOM 849 CG GLU A 976 -6.783 -15.036 5.504 1.00 0.00 C ATOM 850 CD GLU A 976 -6.762 -14.994 7.008 1.00 0.00 C ATOM 851 OE1 GLU A 976 -6.823 -13.892 7.597 1.00 0.00 O ATOM 852 OE2 GLU A 976 -6.740 -16.073 7.626 1.00 0.00 O ATOM 0 H GLU A 976 -3.564 -14.269 3.180 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.768 -16.061 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -4.676 -15.397 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.148 -13.727 5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -7.511 -14.308 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -7.135 -16.019 5.190 1.00 0.00 H new ATOM 859 N ASP A 977 -6.194 -12.928 2.287 1.00 0.00 N ATOM 860 CA ASP A 977 -7.101 -11.984 1.687 1.00 0.00 C ATOM 861 C ASP A 977 -7.221 -12.172 0.183 1.00 0.00 C ATOM 862 O ASP A 977 -6.280 -12.604 -0.479 1.00 0.00 O ATOM 863 CB ASP A 977 -6.717 -10.574 2.068 1.00 0.00 C ATOM 864 CG ASP A 977 -7.185 -10.261 3.465 1.00 0.00 C ATOM 865 OD1 ASP A 977 -6.574 -10.738 4.437 1.00 0.00 O ATOM 866 OD2 ASP A 977 -8.218 -9.569 3.597 1.00 0.00 O ATOM 0 H ASP A 977 -5.234 -12.595 2.374 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.098 -12.175 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.635 -10.455 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -7.157 -9.868 1.364 1.00 0.00 H new ATOM 871 N ASP A 978 -8.386 -11.807 -0.345 1.00 0.00 N ATOM 872 CA ASP A 978 -8.773 -12.102 -1.737 1.00 0.00 C ATOM 873 C ASP A 978 -7.977 -11.346 -2.806 1.00 0.00 C ATOM 874 O ASP A 978 -7.212 -11.956 -3.554 1.00 0.00 O ATOM 875 CB ASP A 978 -10.266 -11.841 -1.947 1.00 0.00 C ATOM 876 CG ASP A 978 -10.742 -12.287 -3.320 1.00 0.00 C ATOM 877 OD1 ASP A 978 -10.913 -13.506 -3.521 1.00 0.00 O ATOM 878 OD2 ASP A 978 -10.961 -11.442 -4.213 1.00 0.00 O ATOM 0 H ASP A 978 -9.097 -11.295 0.177 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.536 -13.158 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.836 -12.365 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.468 -10.777 -1.823 1.00 0.00 H new ATOM 883 N ALA A 979 -8.105 -10.025 -2.852 1.00 0.00 N ATOM 884 CA ALA A 979 -7.536 -9.224 -3.933 1.00 0.00 C ATOM 885 C ALA A 979 -7.281 -7.835 -3.398 1.00 0.00 C ATOM 886 O ALA A 979 -8.043 -7.373 -2.557 1.00 0.00 O ATOM 887 CB ALA A 979 -8.480 -9.172 -5.120 1.00 0.00 C ATOM 0 H ALA A 979 -8.602 -9.481 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.604 -9.673 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -8.035 -8.570 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.658 -10.182 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -9.426 -8.726 -4.813 1.00 0.00 H new ATOM 893 N TRP A 980 -6.229 -7.195 -3.884 1.00 0.00 N ATOM 894 CA TRP A 980 -5.764 -5.942 -3.283 1.00 0.00 C ATOM 895 C TRP A 980 -6.848 -4.906 -3.362 1.00 0.00 C ATOM 896 O TRP A 980 -7.392 -4.613 -4.431 1.00 0.00 O ATOM 897 CB TRP A 980 -4.456 -5.391 -3.862 1.00 0.00 C ATOM 898 CG TRP A 980 -3.315 -6.364 -3.794 1.00 0.00 C ATOM 899 CD1 TRP A 980 -3.227 -7.575 -4.421 1.00 0.00 C ATOM 900 CD2 TRP A 980 -2.085 -6.195 -3.081 1.00 0.00 C ATOM 901 NE1 TRP A 980 -2.025 -8.162 -4.142 1.00 0.00 N ATOM 902 CE2 TRP A 980 -1.304 -7.340 -3.324 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.567 -5.190 -2.260 1.00 0.00 C ATOM 904 CZ2 TRP A 980 -0.036 -7.507 -2.785 1.00 0.00 C ATOM 905 CZ3 TRP A 980 -0.308 -5.357 -1.719 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.448 -6.506 -1.984 1.00 0.00 C ATOM 0 H TRP A 980 -5.682 -7.513 -4.684 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.534 -6.182 -2.245 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.619 -5.107 -4.902 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -4.183 -4.484 -3.323 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.995 -8.005 -5.046 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.716 -9.070 -4.489 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -2.141 -4.299 -2.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.547 -8.393 -2.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.101 -4.588 -1.080 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.431 -6.605 -1.549 1.00 0.00 H new ATOM 917 N SER A 981 -7.156 -4.368 -2.219 1.00 0.00 N ATOM 918 CA SER A 981 -8.242 -3.421 -2.077 1.00 0.00 C ATOM 919 C SER A 981 -7.599 -2.093 -1.753 1.00 0.00 C ATOM 920 O SER A 981 -6.402 -2.002 -1.815 1.00 0.00 O ATOM 921 CB SER A 981 -9.159 -3.863 -0.936 1.00 0.00 C ATOM 922 OG SER A 981 -9.584 -5.208 -1.106 1.00 0.00 O ATOM 0 H SER A 981 -6.663 -4.570 -1.349 1.00 0.00 H new ATOM 0 HA SER A 981 -8.846 -3.354 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 981 -8.635 -3.763 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 981 -10.029 -3.208 -0.891 1.00 0.00 H new ATOM 0 HG SER A 981 -10.167 -5.463 -0.361 1.00 0.00 H new ATOM 928 N TYR A 982 -8.342 -1.081 -1.411 1.00 0.00 N ATOM 929 CA TYR A 982 -7.723 0.165 -1.005 1.00 0.00 C ATOM 930 C TYR A 982 -7.881 0.336 0.493 1.00 0.00 C ATOM 931 O TYR A 982 -8.849 -0.165 1.073 1.00 0.00 O ATOM 932 CB TYR A 982 -8.289 1.342 -1.796 1.00 0.00 C ATOM 933 CG TYR A 982 -9.793 1.394 -1.848 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.476 0.692 -2.825 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.518 2.157 -0.953 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.853 0.750 -2.915 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.895 2.217 -1.025 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.559 1.517 -2.008 1.00 0.00 C ATOM 939 OH TYR A 982 -13.936 1.590 -2.091 1.00 0.00 O ATOM 0 H TYR A 982 -9.362 -1.083 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.657 0.137 -1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.921 2.269 -1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.904 1.297 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.923 0.088 -3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.000 2.714 -0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -12.373 0.201 -3.687 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.450 2.811 -0.313 1.00 0.00 H new ATOM 0 HH TYR A 982 -14.276 2.170 -1.378 1.00 0.00 H new ATOM 949 N ASP A 983 -6.929 0.998 1.118 1.00 0.00 N ATOM 950 CA ASP A 983 -6.911 1.143 2.568 1.00 0.00 C ATOM 951 C ASP A 983 -7.734 2.344 2.984 1.00 0.00 C ATOM 952 O ASP A 983 -7.461 3.459 2.561 1.00 0.00 O ATOM 953 CB ASP A 983 -5.474 1.310 3.066 1.00 0.00 C ATOM 954 CG ASP A 983 -5.331 1.312 4.584 1.00 0.00 C ATOM 955 OD1 ASP A 983 -6.281 0.924 5.290 1.00 0.00 O ATOM 956 OD2 ASP A 983 -4.243 1.669 5.085 1.00 0.00 O ATOM 0 H ASP A 983 -6.148 1.450 0.643 1.00 0.00 H new ATOM 0 HA ASP A 983 -7.340 0.244 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -4.864 0.504 2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.073 2.244 2.674 1.00 0.00 H new ATOM 961 N ILE A 984 -8.756 2.093 3.775 1.00 0.00 N ATOM 962 CA ILE A 984 -9.594 3.145 4.326 1.00 0.00 C ATOM 963 C ILE A 984 -9.530 3.084 5.842 1.00 0.00 C ATOM 964 O ILE A 984 -10.286 3.743 6.559 1.00 0.00 O ATOM 965 CB ILE A 984 -11.063 3.040 3.853 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.644 1.651 4.154 1.00 0.00 C ATOM 967 CG2 ILE A 984 -11.163 3.371 2.372 1.00 0.00 C ATOM 968 CD1 ILE A 984 -13.091 1.489 3.738 1.00 0.00 C ATOM 0 H ILE A 984 -9.032 1.152 4.057 1.00 0.00 H new ATOM 0 HA ILE A 984 -9.214 4.101 3.966 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.657 3.767 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -11.043 0.898 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.559 1.456 5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -12.202 3.294 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.805 4.386 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.554 2.671 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -13.430 0.482 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -13.705 2.217 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -13.181 1.651 2.664 1.00 0.00 H new ATOM 980 N ASN A 985 -8.563 2.326 6.314 1.00 0.00 N ATOM 981 CA ASN A 985 -8.341 2.096 7.730 1.00 0.00 C ATOM 982 C ASN A 985 -7.349 3.143 8.282 1.00 0.00 C ATOM 983 O ASN A 985 -6.840 3.051 9.401 1.00 0.00 O ATOM 984 CB ASN A 985 -7.897 0.617 7.893 1.00 0.00 C ATOM 985 CG ASN A 985 -6.599 0.385 8.642 1.00 0.00 C ATOM 986 OD1 ASN A 985 -6.593 0.160 9.857 1.00 0.00 O ATOM 987 ND2 ASN A 985 -5.494 0.449 7.934 1.00 0.00 N ATOM 0 H ASN A 985 -7.895 1.842 5.714 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.243 2.231 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -8.691 0.076 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -7.803 0.176 6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -4.590 0.311 8.386 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -5.540 0.637 6.933 1.00 0.00 H new ATOM 994 N ARG A 986 -7.204 4.232 7.536 1.00 0.00 N ATOM 995 CA ARG A 986 -6.301 5.314 7.857 1.00 0.00 C ATOM 996 C ARG A 986 -6.996 6.644 7.605 1.00 0.00 C ATOM 997 O ARG A 986 -8.177 6.679 7.230 1.00 0.00 O ATOM 998 CB ARG A 986 -5.090 5.288 6.951 1.00 0.00 C ATOM 999 CG ARG A 986 -3.960 4.380 7.351 1.00 0.00 C ATOM 1000 CD ARG A 986 -2.863 4.600 6.345 1.00 0.00 C ATOM 1001 NE ARG A 986 -1.533 4.255 6.835 1.00 0.00 N ATOM 1002 CZ ARG A 986 -0.409 4.826 6.393 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -0.474 5.855 5.551 1.00 0.00 N ATOM 1004 NH2 ARG A 986 0.777 4.395 6.814 1.00 0.00 N ATOM 0 H ARG A 986 -7.726 4.384 6.673 1.00 0.00 H new ATOM 0 HA ARG A 986 -6.004 5.200 8.900 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -5.419 5.000 5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -4.700 6.303 6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -3.615 4.610 8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -4.281 3.338 7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -3.076 4.008 5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -2.867 5.647 6.041 1.00 0.00 H new ATOM 0 HE ARG A 986 -1.457 3.537 7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -1.381 6.206 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 986 0.383 6.292 5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 986 0.833 3.623 7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 986 1.631 4.836 6.472 1.00 0.00 H new ATOM 1018 N ALA A 987 -6.249 7.721 7.787 1.00 0.00 N ATOM 1019 CA ALA A 987 -6.705 9.052 7.439 1.00 0.00 C ATOM 1020 C ALA A 987 -6.464 9.262 5.951 1.00 0.00 C ATOM 1021 O ALA A 987 -5.438 9.802 5.529 1.00 0.00 O ATOM 1022 CB ALA A 987 -6.001 10.119 8.265 1.00 0.00 C ATOM 0 H ALA A 987 -5.309 7.694 8.181 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.768 9.142 7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -6.368 11.104 7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.203 9.952 9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -4.927 10.066 8.088 1.00 0.00 H new ATOM 1028 N VAL A 988 -7.385 8.737 5.171 1.00 0.00 N ATOM 1029 CA VAL A 988 -7.322 8.743 3.720 1.00 0.00 C ATOM 1030 C VAL A 988 -8.670 9.148 3.155 1.00 0.00 C ATOM 1031 O VAL A 988 -9.663 9.186 3.891 1.00 0.00 O ATOM 1032 CB VAL A 988 -6.972 7.337 3.178 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -5.538 6.958 3.513 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -7.931 6.297 3.742 1.00 0.00 C ATOM 0 H VAL A 988 -8.222 8.281 5.536 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.549 9.450 3.418 1.00 0.00 H new ATOM 0 HB VAL A 988 -7.072 7.364 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -5.323 5.965 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -4.856 7.682 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -5.406 6.955 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -7.672 5.313 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -7.858 6.286 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -8.951 6.546 3.450 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.671 9.540 1.889 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.901 9.781 1.122 1.00 0.00 C ATOM 1046 C ASP A 989 -10.797 8.542 1.166 1.00 0.00 C ATOM 1047 O ASP A 989 -10.375 7.460 1.599 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.524 10.099 -0.345 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.690 10.418 -1.281 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -11.277 9.479 -1.871 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -11.019 11.609 -1.463 1.00 0.00 O ATOM 0 H ASP A 989 -7.817 9.703 1.355 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.442 10.622 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.839 10.947 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -8.979 9.247 -0.752 1.00 0.00 H new ATOM 1056 N GLU A 990 -12.015 8.699 0.685 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.990 7.629 0.609 1.00 0.00 C ATOM 1058 C GLU A 990 -12.414 6.442 -0.104 1.00 0.00 C ATOM 1059 O GLU A 990 -12.729 5.292 0.188 1.00 0.00 O ATOM 1060 CB GLU A 990 -14.170 8.101 -0.211 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.846 9.289 0.389 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.939 9.840 -0.492 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -15.621 10.417 -1.556 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -17.135 9.693 -0.157 1.00 0.00 O ATOM 0 H GLU A 990 -12.361 9.590 0.330 1.00 0.00 H new ATOM 0 HA GLU A 990 -13.281 7.357 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -13.833 8.349 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.890 7.288 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -15.268 9.013 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -14.107 10.068 0.575 1.00 0.00 H new ATOM 1071 N LYS A 991 -11.583 6.742 -1.069 1.00 0.00 N ATOM 1072 CA LYS A 991 -11.045 5.716 -1.902 1.00 0.00 C ATOM 1073 C LYS A 991 -9.589 5.391 -1.531 1.00 0.00 C ATOM 1074 O LYS A 991 -8.883 4.724 -2.290 1.00 0.00 O ATOM 1075 CB LYS A 991 -11.171 6.199 -3.336 1.00 0.00 C ATOM 1076 CG LYS A 991 -12.530 6.823 -3.582 1.00 0.00 C ATOM 1077 CD LYS A 991 -12.547 7.717 -4.793 1.00 0.00 C ATOM 1078 CE LYS A 991 -13.740 8.651 -4.738 1.00 0.00 C ATOM 1079 NZ LYS A 991 -13.664 9.592 -3.585 1.00 0.00 N ATOM 0 H LYS A 991 -11.270 7.687 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 991 -11.595 4.784 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -10.389 6.928 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -11.022 5.363 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -13.271 6.033 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.825 7.400 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -11.625 8.296 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -12.590 7.113 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -13.797 9.220 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -14.656 8.064 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -14.497 9.463 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -12.802 9.400 -3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -13.640 10.571 -3.936 1.00 0.00 H new ATOM 1093 N GLY A 992 -9.135 5.898 -0.387 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.800 5.597 0.115 1.00 0.00 C ATOM 1095 C GLY A 992 -6.744 6.580 -0.350 1.00 0.00 C ATOM 1096 O GLY A 992 -5.610 6.542 0.121 1.00 0.00 O ATOM 0 H GLY A 992 -9.677 6.522 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.823 5.589 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -7.518 4.594 -0.205 1.00 0.00 H new ATOM 1100 N TRP A 993 -7.097 7.379 -1.346 1.00 0.00 N ATOM 1101 CA TRP A 993 -6.220 8.436 -1.852 1.00 0.00 C ATOM 1102 C TRP A 993 -5.701 9.354 -0.734 1.00 0.00 C ATOM 1103 O TRP A 993 -6.399 9.640 0.244 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.930 9.278 -2.901 1.00 0.00 C ATOM 1105 CG TRP A 993 -7.302 8.559 -4.166 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.554 8.188 -4.551 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -6.425 8.169 -5.235 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -8.510 7.596 -5.789 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -7.219 7.581 -6.233 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -5.047 8.263 -5.449 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -6.681 7.098 -7.426 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -4.513 7.784 -6.628 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -5.329 7.210 -7.606 1.00 0.00 C ATOM 0 H TRP A 993 -7.994 7.317 -1.827 1.00 0.00 H new ATOM 0 HA TRP A 993 -5.365 7.932 -2.302 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.837 9.690 -2.458 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -6.290 10.122 -3.158 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -9.451 8.337 -3.968 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -9.314 7.226 -6.296 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -4.407 8.706 -4.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -7.310 6.651 -8.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -3.449 7.854 -6.797 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.885 6.848 -8.521 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.491 9.834 -0.911 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.838 10.674 0.077 1.00 0.00 C ATOM 1126 C GLU A 994 -3.148 11.874 -0.554 1.00 0.00 C ATOM 1127 O GLU A 994 -2.696 11.847 -1.721 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.893 9.888 1.023 1.00 0.00 C ATOM 1129 CG GLU A 994 -1.969 8.882 0.348 1.00 0.00 C ATOM 1130 CD GLU A 994 -1.019 8.188 1.312 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -1.464 7.649 2.349 1.00 0.00 O ATOM 1132 OE2 GLU A 994 0.193 8.141 1.034 1.00 0.00 O ATOM 0 H GLU A 994 -3.929 9.655 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.637 11.060 0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -2.281 10.604 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -3.501 9.359 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.573 8.130 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -1.387 9.393 -0.419 1.00 0.00 H new ATOM 1139 N TYR A 995 -3.112 12.911 0.271 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.665 14.264 -0.029 1.00 0.00 C ATOM 1141 C TYR A 995 -1.159 14.392 0.018 1.00 0.00 C ATOM 1142 O TYR A 995 -0.606 14.588 1.075 1.00 0.00 O ATOM 1143 CB TYR A 995 -3.353 15.209 0.986 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.895 16.664 1.072 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -3.438 17.649 0.262 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -1.970 17.059 2.032 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -3.074 18.972 0.398 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -1.590 18.376 2.167 1.00 0.00 C ATOM 1149 CZ TYR A 995 -2.146 19.328 1.349 1.00 0.00 C ATOM 1150 OH TYR A 995 -1.807 20.651 1.509 1.00 0.00 O ATOM 0 H TYR A 995 -3.417 12.822 1.240 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.944 14.531 -1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.420 15.213 0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -3.237 14.769 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -4.161 17.375 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -1.540 16.316 2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -3.515 19.725 -0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -0.860 18.658 2.911 1.00 0.00 H new ATOM 0 HH TYR A 995 -1.140 20.734 2.222 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.502 14.236 -1.111 1.00 0.00 N ATOM 1161 CA GLY A 996 0.923 14.405 -1.127 1.00 0.00 C ATOM 1162 C GLY A 996 1.324 15.524 -2.026 1.00 0.00 C ATOM 1163 O GLY A 996 1.495 15.350 -3.225 1.00 0.00 O ATOM 0 H GLY A 996 -0.926 13.998 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.280 14.602 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.398 13.481 -1.458 1.00 0.00 H new ATOM 1167 N ILE A 997 1.475 16.685 -1.478 1.00 0.00 N ATOM 1168 CA ILE A 997 1.826 17.790 -2.319 1.00 0.00 C ATOM 1169 C ILE A 997 3.297 18.097 -2.123 1.00 0.00 C ATOM 1170 O ILE A 997 3.837 17.846 -1.045 1.00 0.00 O ATOM 1171 CB ILE A 997 0.968 19.050 -2.039 1.00 0.00 C ATOM 1172 CG1 ILE A 997 1.415 19.758 -0.751 1.00 0.00 C ATOM 1173 CG2 ILE A 997 -0.495 18.641 -1.921 1.00 0.00 C ATOM 1174 CD1 ILE A 997 0.694 21.059 -0.473 1.00 0.00 C ATOM 0 H ILE A 997 1.366 16.894 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 997 1.628 17.509 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 997 1.098 19.748 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 997 1.262 19.084 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 997 2.485 19.955 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -1.105 19.523 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -0.819 18.177 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -0.609 17.931 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 997 1.070 21.492 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 997 0.867 21.754 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -0.375 20.869 -0.377 1.00 0.00 H new ATOM 1186 N THR A 998 3.961 18.575 -3.146 1.00 0.00 N ATOM 1187 CA THR A 998 5.336 18.954 -2.993 1.00 0.00 C ATOM 1188 C THR A 998 5.588 20.260 -3.745 1.00 0.00 C ATOM 1189 O THR A 998 5.123 20.441 -4.877 1.00 0.00 O ATOM 1190 CB THR A 998 6.294 17.823 -3.445 1.00 0.00 C ATOM 1191 OG1 THR A 998 7.630 18.120 -3.029 1.00 0.00 O ATOM 1192 CG2 THR A 998 6.271 17.598 -4.953 1.00 0.00 C ATOM 0 H THR A 998 3.575 18.708 -4.081 1.00 0.00 H new ATOM 0 HA THR A 998 5.544 19.119 -1.936 1.00 0.00 H new ATOM 0 HB THR A 998 5.945 16.905 -2.973 1.00 0.00 H new ATOM 0 HG1 THR A 998 8.209 18.193 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 998 6.961 16.795 -5.212 1.00 0.00 H new ATOM 0 HG22 THR A 998 5.263 17.325 -5.265 1.00 0.00 H new ATOM 0 HG23 THR A 998 6.573 18.513 -5.462 1.00 0.00 H new ATOM 1200 N ILE A 999 6.240 21.202 -3.090 1.00 0.00 N ATOM 1201 CA ILE A 999 6.534 22.487 -3.696 1.00 0.00 C ATOM 1202 C ILE A 999 8.043 22.634 -3.856 1.00 0.00 C ATOM 1203 O ILE A 999 8.772 22.682 -2.861 1.00 0.00 O ATOM 1204 CB ILE A 999 5.963 23.695 -2.884 1.00 0.00 C ATOM 1205 CG1 ILE A 999 4.421 23.714 -2.870 1.00 0.00 C ATOM 1206 CG2 ILE A 999 6.479 25.022 -3.431 1.00 0.00 C ATOM 1207 CD1 ILE A 999 3.763 22.693 -1.964 1.00 0.00 C ATOM 0 H ILE A 999 6.578 21.100 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 999 6.041 22.506 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 999 6.312 23.566 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 999 4.090 24.708 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 999 4.064 23.554 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 999 6.064 25.843 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 999 7.567 25.044 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 999 6.175 25.129 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 999 2.680 22.793 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 999 4.054 21.690 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 999 4.081 22.861 -0.935 1.00 0.00 H new ATOM 1219 N PRO A1000 8.524 22.689 -5.109 1.00 0.00 N ATOM 1220 CA PRO A1000 9.955 22.805 -5.413 1.00 0.00 C ATOM 1221 C PRO A1000 10.587 24.083 -4.853 1.00 0.00 C ATOM 1222 O PRO A1000 10.035 25.179 -5.002 1.00 0.00 O ATOM 1223 CB PRO A1000 10.006 22.815 -6.943 1.00 0.00 C ATOM 1224 CG PRO A1000 8.702 22.248 -7.385 1.00 0.00 C ATOM 1225 CD PRO A1000 7.710 22.641 -6.335 1.00 0.00 C ATOM 0 HA PRO A1000 10.520 21.992 -4.957 1.00 0.00 H new ATOM 0 HB2 PRO A1000 10.144 23.826 -7.325 1.00 0.00 H new ATOM 0 HB3 PRO A1000 10.840 22.218 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO A1000 8.415 22.641 -8.361 1.00 0.00 H new ATOM 0 HG3 PRO A1000 8.760 21.164 -7.482 1.00 0.00 H new ATOM 0 HD2 PRO A1000 7.253 23.606 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A1000 6.900 21.916 -6.253 1.00 0.00 H new ATOM 1233 N PRO A1001 11.784 23.962 -4.259 1.00 0.00 N ATOM 1234 CA PRO A1001 12.488 22.699 -4.163 1.00 0.00 C ATOM 1235 C PRO A1001 12.078 21.859 -2.978 1.00 0.00 C ATOM 1236 O PRO A1001 11.921 22.338 -1.851 1.00 0.00 O ATOM 1237 CB PRO A1001 13.954 23.080 -4.046 1.00 0.00 C ATOM 1238 CG PRO A1001 13.978 24.543 -3.812 1.00 0.00 C ATOM 1239 CD PRO A1001 12.561 25.032 -3.645 1.00 0.00 C ATOM 0 HA PRO A1001 12.261 22.081 -5.032 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.432 22.546 -3.225 1.00 0.00 H new ATOM 0 HB3 PRO A1001 14.498 22.821 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A1001 14.564 24.773 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A1001 14.456 25.051 -4.649 1.00 0.00 H new ATOM 0 HD2 PRO A1001 12.301 25.172 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO A1001 12.400 25.988 -4.143 1.00 0.00 H new ATOM 1247 N ASP A1002 11.971 20.602 -3.304 1.00 0.00 N ATOM 1248 CA ASP A1002 11.579 19.494 -2.425 1.00 0.00 C ATOM 1249 C ASP A1002 11.182 18.386 -3.364 1.00 0.00 C ATOM 1250 O ASP A1002 10.347 18.609 -4.250 1.00 0.00 O ATOM 1251 CB ASP A1002 10.388 19.827 -1.518 1.00 0.00 C ATOM 1252 CG ASP A1002 10.279 18.903 -0.324 1.00 0.00 C ATOM 1253 OD1 ASP A1002 10.243 17.671 -0.488 1.00 0.00 O ATOM 1254 OD2 ASP A1002 10.251 19.403 0.824 1.00 0.00 O ATOM 0 H ASP A1002 12.165 20.284 -4.253 1.00 0.00 H new ATOM 0 HA ASP A1002 12.401 19.243 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A1002 10.481 20.855 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A1002 9.468 19.770 -2.100 1.00 0.00 H new ATOM 1259 N HIS A1003 11.751 17.210 -3.217 1.00 0.00 N ATOM 1260 CA HIS A1003 11.586 16.199 -4.236 1.00 0.00 C ATOM 1261 C HIS A1003 10.309 15.408 -4.040 1.00 0.00 C ATOM 1262 O HIS A1003 9.587 15.139 -4.997 1.00 0.00 O ATOM 1263 CB HIS A1003 12.798 15.259 -4.254 1.00 0.00 C ATOM 1264 CG HIS A1003 12.942 14.531 -5.551 1.00 0.00 C ATOM 1265 ND1 HIS A1003 13.331 13.214 -5.671 1.00 0.00 N ATOM 1266 CD2 HIS A1003 12.778 14.990 -6.803 1.00 0.00 C ATOM 1267 CE1 HIS A1003 13.393 12.896 -6.950 1.00 0.00 C ATOM 1268 NE2 HIS A1003 13.061 13.958 -7.657 1.00 0.00 N ATOM 0 H HIS A1003 12.321 16.934 -2.418 1.00 0.00 H new ATOM 0 HA HIS A1003 11.514 16.708 -5.197 1.00 0.00 H new ATOM 0 HB2 HIS A1003 13.703 15.836 -4.063 1.00 0.00 H new ATOM 0 HB3 HIS A1003 12.704 14.536 -3.444 1.00 0.00 H new ATOM 0 HD2 HIS A1003 12.478 15.989 -7.084 1.00 0.00 H new ATOM 0 HE1 HIS A1003 13.669 11.931 -7.349 1.00 0.00 H new ATOM 0 HE2 HIS A1003 13.021 14.003 -8.675 1.00 0.00 H new ATOM 1277 N LYS A1004 10.025 15.043 -2.815 1.00 0.00 N ATOM 1278 CA LYS A1004 8.890 14.191 -2.531 1.00 0.00 C ATOM 1279 C LYS A1004 7.998 14.798 -1.478 1.00 0.00 C ATOM 1280 O LYS A1004 8.494 15.391 -0.517 1.00 0.00 O ATOM 1281 CB LYS A1004 9.368 12.867 -1.980 1.00 0.00 C ATOM 1282 CG LYS A1004 10.228 12.040 -2.899 1.00 0.00 C ATOM 1283 CD LYS A1004 10.901 10.994 -2.057 1.00 0.00 C ATOM 1284 CE LYS A1004 11.631 9.946 -2.857 1.00 0.00 C ATOM 1285 NZ LYS A1004 12.298 8.999 -1.941 1.00 0.00 N ATOM 0 H LYS A1004 10.563 15.321 -1.995 1.00 0.00 H new ATOM 0 HA LYS A1004 8.342 14.067 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A1004 9.929 13.058 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A1004 8.496 12.276 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A1004 9.623 11.576 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A1004 10.967 12.665 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A1004 11.607 11.481 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A1004 10.152 10.506 -1.434 1.00 0.00 H new ATOM 0 HE2 LYS A1004 10.932 9.413 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A1004 12.367 10.418 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 13.077 8.524 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 12.676 9.516 -1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 11.611 8.289 -1.615 1.00 0.00 H new ATOM 1299 N PRO A1005 6.681 14.651 -1.646 1.00 0.00 N ATOM 1300 CA PRO A1005 5.716 14.984 -0.609 1.00 0.00 C ATOM 1301 C PRO A1005 6.104 14.338 0.710 1.00 0.00 C ATOM 1302 O PRO A1005 6.362 13.136 0.793 1.00 0.00 O ATOM 1303 CB PRO A1005 4.431 14.358 -1.122 1.00 0.00 C ATOM 1304 CG PRO A1005 4.565 14.395 -2.600 1.00 0.00 C ATOM 1305 CD PRO A1005 6.025 14.225 -2.890 1.00 0.00 C ATOM 0 HA PRO A1005 5.643 16.056 -0.426 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.314 13.337 -0.759 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.556 14.917 -0.788 1.00 0.00 H new ATOM 0 HG2 PRO A1005 3.981 13.601 -3.064 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.195 15.339 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.266 13.191 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.338 14.835 -3.737 1.00 0.00 H new ATOM 1313 N LYS A1006 6.161 15.153 1.728 1.00 0.00 N ATOM 1314 CA LYS A1006 6.571 14.716 3.046 1.00 0.00 C ATOM 1315 C LYS A1006 5.366 14.753 3.960 1.00 0.00 C ATOM 1316 O LYS A1006 5.474 14.672 5.186 1.00 0.00 O ATOM 1317 CB LYS A1006 7.678 15.642 3.544 1.00 0.00 C ATOM 1318 CG LYS A1006 7.310 17.108 3.442 1.00 0.00 C ATOM 1319 CD LYS A1006 8.462 18.019 3.800 1.00 0.00 C ATOM 1320 CE LYS A1006 8.102 19.468 3.526 1.00 0.00 C ATOM 1321 NZ LYS A1006 7.845 19.716 2.085 1.00 0.00 N ATOM 0 H LYS A1006 5.925 16.144 1.672 1.00 0.00 H new ATOM 0 HA LYS A1006 6.958 13.697 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A1006 7.907 15.401 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A1006 8.585 15.459 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A1006 6.980 17.327 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A1006 6.468 17.315 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A1006 8.717 17.895 4.852 1.00 0.00 H new ATOM 0 HD3 LYS A1006 9.344 17.742 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A1006 7.217 19.737 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A1006 8.912 20.113 3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 7.804 20.741 1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 8.611 19.299 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 6.939 19.282 1.814 1.00 0.00 H new ATOM 1335 N SER A1007 4.219 14.840 3.328 1.00 0.00 N ATOM 1336 CA SER A1007 2.961 14.983 3.995 1.00 0.00 C ATOM 1337 C SER A1007 1.899 14.265 3.178 1.00 0.00 C ATOM 1338 O SER A1007 1.944 14.311 1.950 1.00 0.00 O ATOM 1339 CB SER A1007 2.665 16.479 4.113 1.00 0.00 C ATOM 1340 OG SER A1007 1.411 16.761 4.718 1.00 0.00 O ATOM 0 H SER A1007 4.141 14.812 2.311 1.00 0.00 H new ATOM 0 HA SER A1007 2.975 14.546 4.993 1.00 0.00 H new ATOM 0 HB2 SER A1007 3.455 16.953 4.695 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.689 16.926 3.119 1.00 0.00 H new ATOM 0 HG SER A1007 1.282 17.731 4.766 1.00 0.00 H new ATOM 1346 N TRP A1008 1.038 13.542 3.891 1.00 0.00 N ATOM 1347 CA TRP A1008 -0.123 12.837 3.346 1.00 0.00 C ATOM 1348 C TRP A1008 -1.279 13.070 4.307 1.00 0.00 C ATOM 1349 O TRP A1008 -1.100 12.989 5.528 1.00 0.00 O ATOM 1350 CB TRP A1008 0.170 11.346 3.157 1.00 0.00 C ATOM 1351 CG TRP A1008 1.404 11.153 2.363 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.647 11.012 2.864 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.533 11.146 0.929 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.541 10.933 1.855 1.00 0.00 N ATOM 1355 CE2 TRP A1008 2.896 10.997 0.651 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.639 11.246 -0.142 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.396 10.950 -0.648 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.135 11.195 -1.431 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.503 11.048 -1.675 1.00 0.00 C ATOM 0 H TRP A1008 1.132 13.426 4.900 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.376 13.218 2.356 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.278 10.865 4.129 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.670 10.866 2.656 1.00 0.00 H new ATOM 0 HD1 TRP A1008 2.892 10.969 3.915 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.550 10.839 1.974 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.420 11.361 0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.454 10.840 -0.836 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.453 11.270 -2.265 1.00 0.00 H new ATOM 0 HH2 TRP A1008 2.860 11.011 -2.694 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.446 13.368 3.756 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.627 13.799 4.519 1.00 0.00 C ATOM 1372 C VAL A1009 -4.854 13.214 3.806 1.00 0.00 C ATOM 1373 O VAL A1009 -4.730 12.773 2.670 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.712 15.372 4.600 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -4.944 15.867 5.347 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -2.475 15.967 5.263 1.00 0.00 C ATOM 0 H VAL A1009 -2.610 13.319 2.751 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.572 13.442 5.548 1.00 0.00 H new ATOM 0 HB VAL A1009 -3.779 15.706 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -4.944 16.957 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -5.843 15.514 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -4.929 15.485 6.368 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.569 17.052 5.301 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -2.381 15.575 6.276 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -1.589 15.700 4.687 1.00 0.00 H new ATOM 1386 N ALA A1010 -6.018 13.208 4.435 1.00 0.00 N ATOM 1387 CA ALA A1010 -7.206 12.582 3.861 1.00 0.00 C ATOM 1388 C ALA A1010 -7.964 13.466 2.865 1.00 0.00 C ATOM 1389 O ALA A1010 -8.964 13.023 2.300 1.00 0.00 O ATOM 1390 CB ALA A1010 -8.151 12.171 4.976 1.00 0.00 C ATOM 0 H ALA A1010 -6.169 13.632 5.350 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.849 11.718 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -9.038 11.704 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.650 11.462 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.445 13.052 5.547 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.531 14.698 2.640 1.00 0.00 N ATOM 1397 CA ALA A1011 -8.296 15.595 1.786 1.00 0.00 C ATOM 1398 C ALA A1011 -7.577 15.914 0.482 1.00 0.00 C ATOM 1399 O ALA A1011 -6.439 16.400 0.486 1.00 0.00 O ATOM 1400 CB ALA A1011 -8.613 16.880 2.537 1.00 0.00 C ATOM 0 H ALA A1011 -6.674 15.093 3.027 1.00 0.00 H new ATOM 0 HA ALA A1011 -9.221 15.082 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -9.186 17.547 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -9.197 16.647 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -7.684 17.369 2.830 1.00 0.00 H new ATOM 1406 N GLU A1012 -8.226 15.610 -0.629 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.710 15.961 -1.938 1.00 0.00 C ATOM 1408 C GLU A1012 -7.845 17.470 -2.135 1.00 0.00 C ATOM 1409 O GLU A1012 -8.938 18.024 -2.033 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.463 15.200 -3.040 1.00 0.00 C ATOM 1411 CG GLU A1012 -7.878 15.386 -4.434 1.00 0.00 C ATOM 1412 CD GLU A1012 -6.478 14.844 -4.559 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -6.045 14.052 -3.690 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -5.780 15.236 -5.509 1.00 0.00 O ATOM 0 H GLU A1012 -9.119 15.117 -0.648 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.659 15.679 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.465 14.137 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.503 15.527 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -8.521 14.890 -5.161 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -7.875 16.447 -4.683 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.728 18.130 -2.356 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.692 19.576 -2.530 1.00 0.00 C ATOM 1423 C LYS A1013 -6.032 19.947 -3.833 1.00 0.00 C ATOM 1424 O LYS A1013 -5.204 19.193 -4.333 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.931 20.234 -1.387 1.00 0.00 C ATOM 1426 CG LYS A1013 -6.715 20.308 -0.102 1.00 0.00 C ATOM 1427 CD LYS A1013 -5.896 20.934 1.012 1.00 0.00 C ATOM 1428 CE LYS A1013 -6.725 21.132 2.269 1.00 0.00 C ATOM 1429 NZ LYS A1013 -5.975 21.836 3.337 1.00 0.00 N ATOM 0 H LYS A1013 -5.814 17.682 -2.421 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.723 19.931 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -5.010 19.680 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -5.644 21.242 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -7.622 20.891 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -7.028 19.306 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -5.039 20.298 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -5.502 21.894 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -7.622 21.701 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -7.055 20.162 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -6.583 21.947 4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -5.133 21.282 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -5.682 22.774 2.995 1.00 0.00 H new ATOM 1443 N MET A1014 -6.359 21.118 -4.340 1.00 0.00 N ATOM 1444 CA MET A1014 -5.803 21.622 -5.593 1.00 0.00 C ATOM 1445 C MET A1014 -4.293 21.600 -5.607 1.00 0.00 C ATOM 1446 O MET A1014 -3.704 21.259 -6.632 1.00 0.00 O ATOM 1447 CB MET A1014 -6.281 23.028 -5.856 1.00 0.00 C ATOM 1448 CG MET A1014 -5.764 23.629 -7.160 1.00 0.00 C ATOM 1449 SD MET A1014 -6.273 25.341 -7.401 1.00 0.00 S ATOM 1450 CE MET A1014 -5.555 26.114 -5.957 1.00 0.00 C ATOM 0 H MET A1014 -7.021 21.755 -3.897 1.00 0.00 H new ATOM 0 HA MET A1014 -6.155 20.954 -6.379 1.00 0.00 H new ATOM 0 HB2 MET A1014 -7.371 23.032 -5.874 1.00 0.00 H new ATOM 0 HB3 MET A1014 -5.973 23.666 -5.027 1.00 0.00 H new ATOM 0 HG2 MET A1014 -4.675 23.575 -7.171 1.00 0.00 H new ATOM 0 HG3 MET A1014 -6.122 23.029 -7.997 1.00 0.00 H new ATOM 0 HE1 MET A1014 -5.433 27.182 -6.139 1.00 0.00 H new ATOM 0 HE2 MET A1014 -6.211 25.964 -5.100 1.00 0.00 H new ATOM 0 HE3 MET A1014 -4.582 25.668 -5.751 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.664 21.953 -4.483 1.00 0.00 N ATOM 1461 CA TYR A1015 -2.197 21.919 -4.347 1.00 0.00 C ATOM 1462 C TYR A1015 -1.554 20.584 -4.726 1.00 0.00 C ATOM 1463 O TYR A1015 -0.326 20.483 -4.759 1.00 0.00 O ATOM 1464 CB TYR A1015 -1.808 22.240 -2.903 1.00 0.00 C ATOM 1465 CG TYR A1015 -2.458 23.487 -2.354 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -2.028 24.751 -2.734 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -3.519 23.392 -1.465 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -2.636 25.885 -2.238 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -4.134 24.519 -0.970 1.00 0.00 C ATOM 1470 CZ TYR A1015 -3.690 25.762 -1.357 1.00 0.00 C ATOM 1471 OH TYR A1015 -4.316 26.885 -0.874 1.00 0.00 O ATOM 0 H TYR A1015 -4.150 22.269 -3.644 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.824 22.664 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -2.075 21.394 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -0.725 22.352 -2.846 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -1.206 24.848 -3.428 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -3.868 22.418 -1.156 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -2.289 26.863 -2.537 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -4.961 24.428 -0.281 1.00 0.00 H new ATOM 0 HH TYR A1015 -5.038 26.621 -0.266 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.362 19.558 -4.975 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.840 18.267 -5.358 1.00 0.00 C ATOM 1483 C HIS A1016 -0.988 18.321 -6.606 1.00 0.00 C ATOM 1484 O HIS A1016 -1.214 19.105 -7.529 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.956 17.271 -5.521 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.296 16.534 -4.292 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -4.087 17.031 -3.315 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -2.980 15.296 -3.929 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -4.252 16.121 -2.385 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -3.594 15.036 -2.735 1.00 0.00 N ATOM 0 H HIS A1016 -3.379 19.604 -4.916 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.186 17.943 -4.548 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.845 17.794 -5.875 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.678 16.555 -6.295 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -4.492 17.967 -3.303 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -2.349 14.614 -4.480 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -4.832 16.242 -1.482 1.00 0.00 H new ATOM 1499 N THR A1017 -0.139 17.345 -6.638 1.00 0.00 N ATOM 1500 CA THR A1017 0.986 17.222 -7.543 1.00 0.00 C ATOM 1501 C THR A1017 1.395 15.761 -7.530 1.00 0.00 C ATOM 1502 O THR A1017 1.844 15.189 -8.508 1.00 0.00 O ATOM 1503 CB THR A1017 2.163 18.100 -7.058 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.109 18.249 -5.625 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.155 19.469 -7.714 1.00 0.00 C ATOM 0 H THR A1017 -0.207 16.555 -5.996 1.00 0.00 H new ATOM 0 HA THR A1017 0.716 17.551 -8.547 1.00 0.00 H new ATOM 0 HB THR A1017 3.087 17.597 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A1017 2.187 19.198 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A1017 2.998 20.054 -7.346 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.237 19.355 -8.795 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.224 19.983 -7.473 1.00 0.00 H new ATOM 1513 N HIS A1018 1.221 15.175 -6.369 1.00 0.00 N ATOM 1514 CA HIS A1018 1.426 13.756 -6.163 1.00 0.00 C ATOM 1515 C HIS A1018 0.272 13.215 -5.347 1.00 0.00 C ATOM 1516 O HIS A1018 -0.283 13.911 -4.492 1.00 0.00 O ATOM 1517 CB HIS A1018 2.764 13.468 -5.472 1.00 0.00 C ATOM 1518 CG HIS A1018 3.935 13.270 -6.395 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.626 14.285 -7.020 1.00 0.00 N ATOM 1520 CD2 HIS A1018 4.551 12.127 -6.766 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.613 13.769 -7.727 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.587 12.464 -7.590 1.00 0.00 N ATOM 0 H HIS A1018 0.929 15.674 -5.529 1.00 0.00 H new ATOM 0 HA HIS A1018 1.462 13.259 -7.133 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.990 14.293 -4.797 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.652 12.575 -4.857 1.00 0.00 H new ATOM 0 HD2 HIS A1018 4.275 11.127 -6.466 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.323 14.327 -8.319 1.00 0.00 H new ATOM 0 HE2 HIS A1018 6.235 11.808 -8.027 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.173 12.035 -5.665 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.264 11.434 -4.946 1.00 0.00 C ATOM 1533 C ARG A1019 -1.107 9.962 -5.042 1.00 0.00 C ATOM 1534 O ARG A1019 -0.689 9.463 -6.082 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.564 11.826 -5.592 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.810 11.203 -5.014 1.00 0.00 C ATOM 1537 CD ARG A1019 -4.940 11.776 -5.788 1.00 0.00 C ATOM 1538 NE ARG A1019 -6.268 11.616 -5.213 1.00 0.00 N ATOM 1539 CZ ARG A1019 -7.380 11.480 -5.945 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.298 11.180 -7.236 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -8.573 11.606 -5.372 1.00 0.00 N ATOM 0 H ARG A1019 0.204 11.464 -6.422 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.264 11.762 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -2.663 12.910 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.512 11.569 -6.650 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -3.784 10.117 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -3.906 11.432 -3.953 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -4.754 12.841 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -4.940 11.322 -6.779 1.00 0.00 H new ATOM 0 HE ARG A1019 -6.356 11.607 -4.197 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -6.385 11.052 -7.673 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.148 11.077 -7.791 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -8.641 11.806 -4.374 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -9.420 11.502 -5.930 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.422 9.282 -3.987 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.288 7.844 -3.987 1.00 0.00 C ATOM 1557 C ARG A1020 -2.293 7.250 -3.072 1.00 0.00 C ATOM 1558 O ARG A1020 -2.976 7.963 -2.384 1.00 0.00 O ATOM 1559 CB ARG A1020 0.116 7.394 -3.565 1.00 0.00 C ATOM 1560 CG ARG A1020 0.550 7.999 -2.244 1.00 0.00 C ATOM 1561 CD ARG A1020 1.764 7.322 -1.637 1.00 0.00 C ATOM 1562 NE ARG A1020 2.928 7.267 -2.524 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.193 7.299 -2.089 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.458 7.541 -0.803 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.189 7.081 -2.941 1.00 0.00 N ATOM 0 H ARG A1020 -1.771 9.685 -3.118 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.454 7.499 -5.007 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.137 6.307 -3.487 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.831 7.672 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.770 9.056 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A1020 -0.279 7.942 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.042 7.849 -0.724 1.00 0.00 H new ATOM 0 HD3 ARG A1020 1.493 6.306 -1.348 1.00 0.00 H new ATOM 0 HE ARG A1020 2.765 7.201 -3.529 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.694 7.703 -0.147 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.424 7.564 -0.477 1.00 0.00 H new ATOM 0 HH21 ARG A1020 4.988 6.890 -3.923 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.155 7.105 -2.613 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.448 5.965 -3.159 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.305 5.264 -2.251 1.00 0.00 C ATOM 1581 C ARG A1021 -2.756 3.878 -2.039 1.00 0.00 C ATOM 1582 O ARG A1021 -2.088 3.332 -2.914 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.723 5.229 -2.783 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.831 4.656 -4.173 1.00 0.00 C ATOM 1585 CD ARG A1021 -6.261 4.459 -4.572 1.00 0.00 C ATOM 1586 NE ARG A1021 -6.354 4.311 -6.011 1.00 0.00 N ATOM 1587 CZ ARG A1021 -7.465 3.944 -6.669 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -8.570 3.643 -5.990 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -7.470 3.895 -7.999 1.00 0.00 N ATOM 0 H ARG A1021 -1.989 5.376 -3.854 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.336 5.780 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.342 4.639 -2.107 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -5.127 6.241 -2.784 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -4.342 5.324 -4.883 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -4.304 3.703 -4.217 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.667 3.575 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.860 5.309 -4.245 1.00 0.00 H new ATOM 0 HE ARG A1021 -5.517 4.499 -6.562 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -8.572 3.691 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -9.415 3.364 -6.489 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -6.628 4.137 -8.521 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -8.316 3.616 -8.496 1.00 0.00 H new ATOM 1603 N ARG A1022 -3.017 3.321 -0.890 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.519 2.027 -0.543 1.00 0.00 C ATOM 1605 C ARG A1022 -3.489 0.935 -0.956 1.00 0.00 C ATOM 1606 O ARG A1022 -4.684 1.017 -0.668 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.324 1.985 0.959 1.00 0.00 C ATOM 1608 CG ARG A1022 -2.194 0.589 1.517 1.00 0.00 C ATOM 1609 CD ARG A1022 -2.139 0.624 3.018 1.00 0.00 C ATOM 1610 NE ARG A1022 -0.912 1.210 3.477 1.00 0.00 N ATOM 1611 CZ ARG A1022 -0.625 1.417 4.753 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -1.595 1.448 5.667 1.00 0.00 N ATOM 1613 NH2 ARG A1022 0.632 1.663 5.083 1.00 0.00 N ATOM 0 H ARG A1022 -3.586 3.758 -0.165 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.578 1.854 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.430 2.554 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.167 2.481 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -3.039 -0.019 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -1.293 0.117 1.125 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -2.984 1.195 3.403 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -2.232 -0.388 3.412 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.220 1.483 2.779 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -2.566 1.312 5.385 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -1.366 1.608 6.648 1.00 0.00 H new ATOM 0 HH21 ARG A1022 1.353 1.690 4.362 1.00 0.00 H new ATOM 0 HH22 ARG A1022 0.881 1.826 6.059 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.976 -0.058 -1.650 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.692 -1.259 -1.877 1.00 0.00 C ATOM 1629 C LEU A1023 -3.256 -2.200 -0.793 1.00 0.00 C ATOM 1630 O LEU A1023 -2.062 -2.394 -0.565 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.439 -1.841 -3.264 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.773 -0.895 -4.419 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.440 -1.537 -5.750 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.242 -0.507 -4.376 1.00 0.00 C ATOM 0 H LEU A1023 -2.045 -0.038 -2.067 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.767 -1.079 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.390 -2.128 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -4.028 -2.752 -3.375 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.168 0.005 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.685 -0.848 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.376 -1.773 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.019 -2.453 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.465 0.166 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -5.858 -1.403 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.459 -0.006 -3.432 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.218 -2.713 -0.095 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.962 -3.549 1.051 1.00 0.00 C ATOM 1648 C VAL A1024 -4.232 -4.973 0.723 1.00 0.00 C ATOM 1649 O VAL A1024 -5.196 -5.271 0.018 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.812 -3.186 2.294 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -4.231 -2.001 3.016 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.265 -2.909 1.915 1.00 0.00 C ATOM 0 H VAL A1024 -5.207 -2.568 -0.298 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.913 -3.383 1.297 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.793 -4.047 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.846 -1.767 3.885 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -3.217 -2.235 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.208 -1.142 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.833 -2.658 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.306 -2.076 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.695 -3.796 1.450 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.343 -5.821 1.160 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.605 -7.243 1.125 1.00 0.00 C ATOM 1664 C ARG A1025 -3.015 -7.947 2.315 1.00 0.00 C ATOM 1665 O ARG A1025 -1.810 -8.088 2.417 1.00 0.00 O ATOM 1666 CB ARG A1025 -3.140 -7.908 -0.160 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.971 -9.138 -0.468 1.00 0.00 C ATOM 1668 CD ARG A1025 -5.341 -8.751 -1.045 1.00 0.00 C ATOM 1669 NE ARG A1025 -6.049 -7.710 -0.286 1.00 0.00 N ATOM 1670 CZ ARG A1025 -7.264 -7.801 0.252 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -8.025 -8.840 -0.025 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -7.715 -6.825 1.033 1.00 0.00 N ATOM 0 H ARG A1025 -2.434 -5.560 1.543 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.690 -7.338 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -3.212 -7.200 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -2.090 -8.187 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -3.440 -9.771 -1.179 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -4.108 -9.724 0.440 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.205 -8.407 -2.070 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -5.968 -9.642 -1.088 1.00 0.00 H new ATOM 0 HE ARG A1025 -5.558 -6.825 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -7.683 -9.571 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -8.956 -8.914 0.385 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -7.131 -6.009 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -8.645 -6.891 1.447 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.871 -8.408 3.204 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.397 -9.071 4.389 1.00 0.00 C ATOM 1688 C LYS A1026 -3.010 -10.501 4.010 1.00 0.00 C ATOM 1689 O LYS A1026 -3.669 -11.148 3.188 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.460 -8.951 5.506 1.00 0.00 C ATOM 1691 CG LYS A1026 -3.967 -9.211 6.924 1.00 0.00 C ATOM 1692 CD LYS A1026 -3.699 -10.673 7.195 1.00 0.00 C ATOM 1693 CE LYS A1026 -4.906 -11.432 7.748 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.146 -11.354 6.929 1.00 0.00 N ATOM 0 H LYS A1026 -4.885 -8.335 3.126 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.501 -8.606 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.887 -7.949 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.268 -9.650 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -3.054 -8.642 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.709 -8.845 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -3.375 -11.150 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -2.874 -10.756 7.903 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -4.632 -12.481 7.861 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -5.126 -11.051 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -6.717 -12.210 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -6.695 -10.517 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -5.893 -11.281 5.923 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.941 -10.995 4.598 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.368 -12.258 4.196 1.00 0.00 C ATOM 1710 C ARG A1027 -1.046 -13.016 5.452 1.00 0.00 C ATOM 1711 O ARG A1027 -0.655 -12.428 6.424 1.00 0.00 O ATOM 1712 CB ARG A1027 -0.114 -12.037 3.324 1.00 0.00 C ATOM 1713 CG ARG A1027 0.983 -11.215 3.987 1.00 0.00 C ATOM 1714 CD ARG A1027 2.037 -10.740 2.995 1.00 0.00 C ATOM 1715 NE ARG A1027 2.815 -11.804 2.378 1.00 0.00 N ATOM 1716 CZ ARG A1027 3.980 -11.579 1.759 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.417 -10.344 1.556 1.00 0.00 N ATOM 1718 NH2 ARG A1027 4.704 -12.587 1.335 1.00 0.00 N ATOM 0 H ARG A1027 -1.449 -10.534 5.363 1.00 0.00 H new ATOM 0 HA ARG A1027 -2.068 -12.828 3.585 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.295 -13.008 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.413 -11.542 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.537 -10.351 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.462 -11.813 4.763 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.545 -10.166 2.210 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.718 -10.060 3.507 1.00 0.00 H new ATOM 0 HE ARG A1027 2.458 -12.759 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.863 -9.548 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.307 -10.189 1.083 1.00 0.00 H new ATOM 0 HH21 ARG A1027 4.379 -13.543 1.477 1.00 0.00 H new ATOM 0 HH22 ARG A1027 5.592 -12.414 0.863 1.00 0.00 H new ATOM 1732 N LYS A1028 -1.231 -14.291 5.416 1.00 0.00 N ATOM 1733 CA LYS A1028 -1.063 -15.134 6.564 1.00 0.00 C ATOM 1734 C LYS A1028 -0.100 -16.252 6.237 1.00 0.00 C ATOM 1735 O LYS A1028 -0.144 -16.793 5.171 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.426 -15.659 6.992 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.365 -16.766 8.011 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.735 -17.123 8.496 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.280 -16.093 9.463 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.628 -16.470 9.953 1.00 0.00 N ATOM 0 H LYS A1028 -1.509 -14.793 4.573 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.638 -14.572 7.396 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -3.009 -14.834 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.958 -16.019 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -1.890 -17.644 7.572 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -1.746 -16.456 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.409 -17.213 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.705 -18.098 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -3.600 -15.990 10.308 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.328 -15.121 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -5.980 -15.736 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.278 -16.561 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -5.573 -17.378 10.457 1.00 0.00 H new ATOM 1754 N LYS A1029 0.779 -16.567 7.156 1.00 0.00 N ATOM 1755 CA LYS A1029 1.793 -17.605 6.947 1.00 0.00 C ATOM 1756 C LYS A1029 1.209 -18.930 7.390 1.00 0.00 C ATOM 1757 O LYS A1029 1.651 -20.023 7.021 1.00 0.00 O ATOM 1758 CB LYS A1029 3.005 -17.283 7.828 1.00 0.00 C ATOM 1759 CG LYS A1029 4.176 -18.234 7.689 1.00 0.00 C ATOM 1760 CD LYS A1029 5.316 -17.851 8.614 1.00 0.00 C ATOM 1761 CE LYS A1029 5.717 -16.409 8.432 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.857 -16.029 9.302 1.00 0.00 N ATOM 0 H LYS A1029 0.823 -16.120 8.072 1.00 0.00 H new ATOM 0 HA LYS A1029 2.090 -17.650 5.899 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.347 -16.275 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.685 -17.276 8.870 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.850 -19.250 7.913 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.527 -18.232 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A1029 5.018 -18.019 9.649 1.00 0.00 H new ATOM 0 HD3 LYS A1029 6.174 -18.495 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.985 -16.237 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.865 -15.766 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 7.054 -15.014 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.619 -16.231 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.699 -16.576 9.030 1.00 0.00 H new ATOM 1776 N ASP A1030 0.217 -18.751 8.240 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.436 -19.800 9.026 1.00 0.00 C ATOM 1778 C ASP A1030 0.624 -20.556 9.847 1.00 0.00 C ATOM 1779 O ASP A1030 0.394 -21.644 10.357 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.254 -20.733 8.122 1.00 0.00 C ATOM 1781 CG ASP A1030 -2.220 -21.593 8.912 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -3.172 -21.036 9.513 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -2.054 -22.823 8.954 1.00 0.00 O ATOM 0 H ASP A1030 -0.181 -17.828 8.416 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.144 -19.350 9.722 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -1.809 -20.138 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -0.577 -21.374 7.557 1.00 0.00 H new ATOM 1788 N LEU A1031 1.765 -19.871 10.037 1.00 0.00 N ATOM 1789 CA LEU A1031 2.990 -20.361 10.686 1.00 0.00 C ATOM 1790 C LEU A1031 3.614 -21.628 10.048 1.00 0.00 C ATOM 1791 O LEU A1031 4.829 -21.690 9.857 1.00 0.00 O ATOM 1792 CB LEU A1031 2.763 -20.573 12.181 1.00 0.00 C ATOM 1793 CG LEU A1031 3.996 -21.009 12.970 1.00 0.00 C ATOM 1794 CD1 LEU A1031 5.026 -19.890 13.033 1.00 0.00 C ATOM 1795 CD2 LEU A1031 3.609 -21.479 14.359 1.00 0.00 C ATOM 0 H LEU A1031 1.861 -18.905 9.723 1.00 0.00 H new ATOM 0 HA LEU A1031 3.724 -19.571 10.526 1.00 0.00 H new ATOM 0 HB2 LEU A1031 2.386 -19.645 12.610 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.984 -21.324 12.311 1.00 0.00 H new ATOM 0 HG LEU A1031 4.453 -21.850 12.448 1.00 0.00 H new ATOM 0 HD11 LEU A1031 5.894 -20.226 13.600 1.00 0.00 H new ATOM 0 HD12 LEU A1031 5.334 -19.622 12.022 1.00 0.00 H new ATOM 0 HD13 LEU A1031 4.588 -19.020 13.522 1.00 0.00 H new ATOM 0 HD21 LEU A1031 4.503 -21.784 14.902 1.00 0.00 H new ATOM 0 HD22 LEU A1031 3.119 -20.666 14.895 1.00 0.00 H new ATOM 0 HD23 LEU A1031 2.926 -22.325 14.280 1.00 0.00 H new ATOM 1807 N THR A1032 2.793 -22.594 9.666 1.00 0.00 N ATOM 1808 CA THR A1032 3.258 -23.903 9.234 1.00 0.00 C ATOM 1809 C THR A1032 3.989 -23.846 7.889 1.00 0.00 C ATOM 1810 O THR A1032 4.849 -24.680 7.609 1.00 0.00 O ATOM 1811 CB THR A1032 2.063 -24.903 9.177 1.00 0.00 C ATOM 1812 OG1 THR A1032 2.488 -26.224 8.800 1.00 0.00 O ATOM 1813 CG2 THR A1032 0.985 -24.429 8.208 1.00 0.00 C ATOM 0 H THR A1032 1.778 -22.491 9.647 1.00 0.00 H new ATOM 0 HA THR A1032 3.982 -24.255 9.969 1.00 0.00 H new ATOM 0 HB THR A1032 1.648 -24.942 10.184 1.00 0.00 H new ATOM 0 HG1 THR A1032 1.713 -26.823 8.776 1.00 0.00 H new ATOM 0 HG21 THR A1032 0.167 -25.149 8.193 1.00 0.00 H new ATOM 0 HG22 THR A1032 0.608 -23.458 8.530 1.00 0.00 H new ATOM 0 HG23 THR A1032 1.409 -24.340 7.208 1.00 0.00 H new ATOM 1821 N GLN A1033 3.702 -22.826 7.098 1.00 0.00 N ATOM 1822 CA GLN A1033 4.262 -22.723 5.758 1.00 0.00 C ATOM 1823 C GLN A1033 5.780 -22.595 5.738 1.00 0.00 C ATOM 1824 O GLN A1033 6.449 -23.311 4.992 1.00 0.00 O ATOM 1825 CB GLN A1033 3.591 -21.607 4.979 1.00 0.00 C ATOM 1826 CG GLN A1033 2.667 -22.160 3.925 1.00 0.00 C ATOM 1827 CD GLN A1033 1.779 -21.122 3.279 1.00 0.00 C ATOM 1828 OE1 GLN A1033 0.682 -20.866 3.754 1.00 0.00 O ATOM 1829 NE2 GLN A1033 2.223 -20.555 2.174 1.00 0.00 N ATOM 0 H GLN A1033 3.085 -22.057 7.359 1.00 0.00 H new ATOM 0 HA GLN A1033 4.048 -23.669 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A1033 3.029 -20.970 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A1033 4.349 -20.980 4.510 1.00 0.00 H new ATOM 0 HG2 GLN A1033 3.263 -22.645 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A1033 2.040 -22.930 4.374 1.00 0.00 H new ATOM 0 HE21 GLN A1033 3.145 -20.797 1.812 1.00 0.00 H new ATOM 0 HE22 GLN A1033 1.644 -19.874 1.682 1.00 0.00 H new