USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=29 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 941 TYR OH : rot 30:sc= 0.232 USER MOD Set 1.2: A 947 LYS NZ :NH3+ -118:sc= 0.34 (180deg=0) USER MOD Set 2.1: A 937 ASN : amide:sc= 1.32! C(o=2.3!,f=-9.4!) USER MOD Set 2.2: A 939 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 954 THR OG1 : rot 130:sc= 0.971 USER MOD Set 2.4: A1018 HIS : no HD1:sc= 0 X(o=2.3,f=2.3) USER MOD Set 3.1: A 936 GLN : amide:sc= -0.346 K(o=-0.25,f=-3.3!) USER MOD Set 3.2: A 953 TYR OH : rot 180:sc= 0.0962 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= -0.0981 USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot -174:sc= 0.179 USER MOD Single : A 952 THR OG1 : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= 1.19 K(o=1.2,f=-0.04) USER MOD Single : A 960 LYS NZ :NH3+ 165:sc= 0.497 (180deg=0.364) USER MOD Single : A 963 SER OG : rot -75:sc= 0.25 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= 0.0178 USER MOD Single : A 981 SER OG : rot 70:sc= 0.124 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.43) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 995 TYR OH : rot -5:sc= -0.401 USER MOD Single : A 998 THR OG1 : rot 81:sc= 0.628 USER MOD Single : A1003 HIS :FLIP no HD1:sc=-0.00893 F(o=-2.2!,f=-0.0089) USER MOD Single : A1004 LYS NZ :NH3+ 179:sc= 0 (180deg=-3.94e-05) USER MOD Single : A1006 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.16) 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 148:sc= -0.318 (180deg=-0.994) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HE2:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A1017 THR OG1 : rot -130:sc= -0.287 USER MOD Single : A1026 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0125) USER MOD Single : A1028 LYS NZ :NH3+ 178:sc= 0.605 (180deg=0.598) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1032 THR OG1 : rot -61:sc= 1.15 USER MOD Single : A1033 GLN : amide:sc= -2.08! C(o=-2.1!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -1.334 -17.954 14.329 1.00 0.00 N ATOM 122 CA HIS A 927 -0.905 -17.904 12.952 1.00 0.00 C ATOM 123 C HIS A 927 0.313 -17.030 12.916 1.00 0.00 C ATOM 124 O HIS A 927 1.098 -16.952 13.864 1.00 0.00 O ATOM 125 CB HIS A 927 -1.955 -17.250 12.026 1.00 0.00 C ATOM 126 CG HIS A 927 -3.372 -17.585 12.348 1.00 0.00 C ATOM 127 ND1 HIS A 927 -4.025 -18.702 11.882 1.00 0.00 N ATOM 128 CD2 HIS A 927 -4.252 -16.943 13.140 1.00 0.00 C ATOM 129 CE1 HIS A 927 -5.242 -18.732 12.379 1.00 0.00 C ATOM 130 NE2 HIS A 927 -5.402 -17.676 13.144 1.00 0.00 N ATOM 0 HA HIS A 927 -0.732 -18.923 12.605 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -1.834 -16.168 12.071 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -1.750 -17.551 10.999 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.079 -16.020 13.673 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -5.983 -19.494 12.191 1.00 0.00 H new ATOM 0 HE2 HIS A 927 -6.251 -17.442 13.659 1.00 0.00 H new ATOM 139 N THR A 928 0.472 -16.409 11.796 1.00 0.00 N ATOM 140 CA THR A 928 1.411 -15.375 11.589 1.00 0.00 C ATOM 141 C THR A 928 0.837 -14.689 10.389 1.00 0.00 C ATOM 142 O THR A 928 0.773 -15.298 9.330 1.00 0.00 O ATOM 143 CB THR A 928 2.792 -15.874 11.185 1.00 0.00 C ATOM 144 OG1 THR A 928 3.035 -17.190 11.709 1.00 0.00 O ATOM 145 CG2 THR A 928 3.860 -14.926 11.698 1.00 0.00 C ATOM 0 H THR A 928 -0.079 -16.624 10.965 1.00 0.00 H new ATOM 0 HA THR A 928 1.550 -14.784 12.494 1.00 0.00 H new ATOM 0 HB THR A 928 2.830 -15.915 10.096 1.00 0.00 H new ATOM 0 HG1 THR A 928 3.927 -17.491 11.436 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.843 -15.292 11.404 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.700 -13.934 11.274 1.00 0.00 H new ATOM 0 HG23 THR A 928 3.804 -14.869 12.785 1.00 0.00 H new ATOM 153 N GLU A 929 0.312 -13.524 10.537 1.00 0.00 N ATOM 154 CA GLU A 929 -0.207 -12.835 9.402 1.00 0.00 C ATOM 155 C GLU A 929 0.233 -11.393 9.533 1.00 0.00 C ATOM 156 O GLU A 929 0.382 -10.886 10.646 1.00 0.00 O ATOM 157 CB GLU A 929 -1.741 -12.944 9.265 1.00 0.00 C ATOM 158 CG GLU A 929 -2.541 -12.308 10.361 1.00 0.00 C ATOM 159 CD GLU A 929 -2.460 -13.040 11.678 1.00 0.00 C ATOM 160 OE1 GLU A 929 -3.085 -14.112 11.808 1.00 0.00 O ATOM 161 OE2 GLU A 929 -1.759 -12.559 12.587 1.00 0.00 O ATOM 0 H GLU A 929 0.229 -13.028 11.425 1.00 0.00 H new ATOM 0 HA GLU A 929 0.181 -13.292 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.035 -12.493 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -2.008 -13.999 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.195 -11.284 10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -3.584 -12.252 10.051 1.00 0.00 H new ATOM 168 N PHE A 930 0.522 -10.772 8.436 1.00 0.00 N ATOM 169 CA PHE A 930 0.929 -9.399 8.403 1.00 0.00 C ATOM 170 C PHE A 930 0.195 -8.778 7.238 1.00 0.00 C ATOM 171 O PHE A 930 0.008 -9.439 6.214 1.00 0.00 O ATOM 172 CB PHE A 930 2.456 -9.338 8.227 1.00 0.00 C ATOM 173 CG PHE A 930 3.043 -7.960 8.065 1.00 0.00 C ATOM 174 CD1 PHE A 930 3.065 -7.065 9.121 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.601 -7.577 6.856 1.00 0.00 C ATOM 176 CE1 PHE A 930 3.628 -5.810 8.971 1.00 0.00 C ATOM 177 CE2 PHE A 930 4.162 -6.324 6.700 1.00 0.00 C ATOM 178 CZ PHE A 930 4.176 -5.440 7.760 1.00 0.00 C ATOM 0 H PHE A 930 0.482 -11.212 7.517 1.00 0.00 H new ATOM 0 HA PHE A 930 0.692 -8.859 9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.922 -9.811 9.091 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.726 -9.932 7.354 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.638 -7.349 10.072 1.00 0.00 H new ATOM 0 HD2 PHE A 930 3.597 -8.267 6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 930 3.638 -5.120 9.802 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.589 -6.037 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 930 4.615 -4.460 7.642 1.00 0.00 H new ATOM 188 N THR A 931 -0.313 -7.586 7.408 1.00 0.00 N ATOM 189 CA THR A 931 -0.963 -6.915 6.315 1.00 0.00 C ATOM 190 C THR A 931 0.108 -6.438 5.354 1.00 0.00 C ATOM 191 O THR A 931 1.085 -5.817 5.775 1.00 0.00 O ATOM 192 CB THR A 931 -1.811 -5.729 6.813 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.679 -6.196 7.856 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.653 -5.134 5.681 1.00 0.00 C ATOM 0 H THR A 931 -0.290 -7.064 8.284 1.00 0.00 H new ATOM 0 HA THR A 931 -1.642 -7.605 5.813 1.00 0.00 H new ATOM 0 HB THR A 931 -1.145 -4.950 7.183 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.225 -5.452 8.185 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.240 -4.299 6.064 1.00 0.00 H new ATOM 0 HG22 THR A 931 -1.996 -4.781 4.886 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.323 -5.898 5.286 1.00 0.00 H new ATOM 202 N ASP A 932 -0.055 -6.735 4.088 1.00 0.00 N ATOM 203 CA ASP A 932 0.940 -6.304 3.122 1.00 0.00 C ATOM 204 C ASP A 932 0.340 -5.101 2.430 1.00 0.00 C ATOM 205 O ASP A 932 -0.891 -4.957 2.410 1.00 0.00 O ATOM 206 CB ASP A 932 1.289 -7.387 2.099 1.00 0.00 C ATOM 207 CG ASP A 932 2.691 -7.213 1.536 1.00 0.00 C ATOM 208 OD1 ASP A 932 3.004 -6.166 0.919 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.522 -8.120 1.744 1.00 0.00 O ATOM 0 H ASP A 932 -0.842 -7.258 3.704 1.00 0.00 H new ATOM 0 HA ASP A 932 1.878 -6.075 3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.206 -8.368 2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.566 -7.361 1.284 1.00 0.00 H new ATOM 214 N GLU A 933 1.151 -4.239 1.872 1.00 0.00 N ATOM 215 CA GLU A 933 0.649 -3.002 1.333 1.00 0.00 C ATOM 216 C GLU A 933 1.505 -2.517 0.167 1.00 0.00 C ATOM 217 O GLU A 933 2.690 -2.844 0.066 1.00 0.00 O ATOM 218 CB GLU A 933 0.626 -1.963 2.441 1.00 0.00 C ATOM 219 CG GLU A 933 2.011 -1.507 2.896 1.00 0.00 C ATOM 220 CD GLU A 933 1.971 -0.439 3.960 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.783 -0.770 5.148 1.00 0.00 O ATOM 222 OE2 GLU A 933 2.131 0.753 3.624 1.00 0.00 O ATOM 0 H GLU A 933 2.158 -4.370 1.779 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.359 -3.163 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 933 0.063 -1.094 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 933 0.090 -2.372 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.562 -2.367 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.563 -1.131 2.034 1.00 0.00 H new ATOM 229 N VAL A 934 0.894 -1.760 -0.711 1.00 0.00 N ATOM 230 CA VAL A 934 1.581 -1.135 -1.829 1.00 0.00 C ATOM 231 C VAL A 934 0.880 0.198 -2.067 1.00 0.00 C ATOM 232 O VAL A 934 -0.081 0.486 -1.368 1.00 0.00 O ATOM 233 CB VAL A 934 1.561 -2.061 -3.076 1.00 0.00 C ATOM 234 CG1 VAL A 934 0.179 -2.170 -3.703 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.623 -1.688 -4.110 1.00 0.00 C ATOM 0 H VAL A 934 -0.104 -1.555 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 934 2.637 -0.965 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 934 1.820 -3.053 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 934 0.224 -2.829 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -0.521 -2.578 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 934 -0.158 -1.182 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.560 -2.370 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.455 -0.667 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.612 -1.761 -3.658 1.00 0.00 H new ATOM 245 N TYR A 935 1.308 0.997 -3.019 1.00 0.00 N ATOM 246 CA TYR A 935 0.748 2.323 -3.214 1.00 0.00 C ATOM 247 C TYR A 935 0.682 2.681 -4.682 1.00 0.00 C ATOM 248 O TYR A 935 1.709 2.746 -5.338 1.00 0.00 O ATOM 249 CB TYR A 935 1.590 3.366 -2.493 1.00 0.00 C ATOM 250 CG TYR A 935 1.285 3.559 -1.022 1.00 0.00 C ATOM 251 CD1 TYR A 935 1.822 2.739 -0.038 1.00 0.00 C ATOM 252 CD2 TYR A 935 0.461 4.597 -0.625 1.00 0.00 C ATOM 253 CE1 TYR A 935 1.535 2.955 1.297 1.00 0.00 C ATOM 254 CE2 TYR A 935 0.172 4.818 0.696 1.00 0.00 C ATOM 255 CZ TYR A 935 0.705 3.997 1.655 1.00 0.00 C ATOM 256 OH TYR A 935 0.424 4.238 2.977 1.00 0.00 O ATOM 0 H TYR A 935 2.048 0.752 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.262 2.313 -2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.640 3.091 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.461 4.322 -3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 935 2.471 1.923 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 935 0.036 5.248 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 935 1.958 2.312 2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 935 -0.473 5.636 0.980 1.00 0.00 H new ATOM 0 HH TYR A 935 -0.249 4.947 3.044 1.00 0.00 H new ATOM 266 N GLN A 936 -0.526 2.819 -5.200 1.00 0.00 N ATOM 267 CA GLN A 936 -0.745 3.308 -6.557 1.00 0.00 C ATOM 268 C GLN A 936 -0.669 4.836 -6.587 1.00 0.00 C ATOM 269 O GLN A 936 -1.272 5.501 -5.746 1.00 0.00 O ATOM 270 CB GLN A 936 -2.107 2.834 -7.055 1.00 0.00 C ATOM 271 CG GLN A 936 -2.492 3.345 -8.433 1.00 0.00 C ATOM 272 CD GLN A 936 -3.870 2.876 -8.840 1.00 0.00 C ATOM 273 OE1 GLN A 936 -4.592 3.572 -9.543 1.00 0.00 O ATOM 274 NE2 GLN A 936 -4.236 1.679 -8.424 1.00 0.00 N ATOM 0 H GLN A 936 -1.384 2.597 -4.695 1.00 0.00 H new ATOM 0 HA GLN A 936 0.032 2.913 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -2.113 1.744 -7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.869 3.146 -6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -2.463 4.435 -8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -1.761 3.003 -9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.607 1.128 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -5.148 1.304 -8.687 1.00 0.00 H new ATOM 283 N ASN A 937 0.075 5.357 -7.550 1.00 0.00 N ATOM 284 CA ASN A 937 0.337 6.790 -7.710 1.00 0.00 C ATOM 285 C ASN A 937 -0.114 7.334 -9.062 1.00 0.00 C ATOM 286 O ASN A 937 -0.193 6.610 -10.064 1.00 0.00 O ATOM 287 CB ASN A 937 1.840 7.063 -7.661 1.00 0.00 C ATOM 288 CG ASN A 937 2.507 6.833 -6.337 1.00 0.00 C ATOM 289 OD1 ASN A 937 2.675 7.758 -5.545 1.00 0.00 O ATOM 290 ND2 ASN A 937 2.889 5.606 -6.087 1.00 0.00 N ATOM 0 H ASN A 937 0.528 4.785 -8.263 1.00 0.00 H new ATOM 0 HA ASN A 937 -0.215 7.270 -6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.328 6.434 -8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.011 8.098 -7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 937 3.348 5.385 -5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 937 2.728 4.871 -6.776 1.00 0.00 H new ATOM 297 N GLU A 938 -0.362 8.631 -9.055 1.00 0.00 N ATOM 298 CA GLU A 938 -0.589 9.451 -10.242 1.00 0.00 C ATOM 299 C GLU A 938 0.094 10.789 -9.944 1.00 0.00 C ATOM 300 O GLU A 938 0.246 11.147 -8.763 1.00 0.00 O ATOM 301 CB GLU A 938 -2.083 9.695 -10.484 1.00 0.00 C ATOM 302 CG GLU A 938 -2.943 8.452 -10.632 1.00 0.00 C ATOM 303 CD GLU A 938 -4.385 8.787 -10.946 1.00 0.00 C ATOM 304 OE1 GLU A 938 -5.152 9.140 -10.029 1.00 0.00 O ATOM 305 OE2 GLU A 938 -4.781 8.705 -12.127 1.00 0.00 O ATOM 0 H GLU A 938 -0.414 9.168 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 938 -0.198 8.957 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.473 10.287 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -2.191 10.298 -11.386 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -2.537 7.824 -11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.899 7.871 -9.711 1.00 0.00 H new ATOM 312 N SER A 939 0.522 11.488 -10.977 1.00 0.00 N ATOM 313 CA SER A 939 1.169 12.786 -10.811 1.00 0.00 C ATOM 314 C SER A 939 0.519 13.836 -11.696 1.00 0.00 C ATOM 315 O SER A 939 0.116 13.546 -12.814 1.00 0.00 O ATOM 316 CB SER A 939 2.664 12.705 -11.119 1.00 0.00 C ATOM 317 OG SER A 939 3.316 11.733 -10.326 1.00 0.00 O ATOM 0 H SER A 939 0.435 11.182 -11.946 1.00 0.00 H new ATOM 0 HA SER A 939 1.045 13.078 -9.768 1.00 0.00 H new ATOM 0 HB2 SER A 939 2.805 12.467 -12.173 1.00 0.00 H new ATOM 0 HB3 SER A 939 3.123 13.679 -10.949 1.00 0.00 H new ATOM 0 HG SER A 939 4.269 11.711 -10.553 1.00 0.00 H new ATOM 323 N ARG A 940 0.446 15.060 -11.212 1.00 0.00 N ATOM 324 CA ARG A 940 -0.198 16.137 -11.904 1.00 0.00 C ATOM 325 C ARG A 940 0.482 17.439 -11.531 1.00 0.00 C ATOM 326 O ARG A 940 1.225 17.500 -10.547 1.00 0.00 O ATOM 327 CB ARG A 940 -1.667 16.269 -11.537 1.00 0.00 C ATOM 328 CG ARG A 940 -1.927 16.684 -10.101 1.00 0.00 C ATOM 329 CD ARG A 940 -3.340 17.192 -10.011 1.00 0.00 C ATOM 330 NE ARG A 940 -3.622 17.930 -8.787 1.00 0.00 N ATOM 331 CZ ARG A 940 -4.862 18.237 -8.381 1.00 0.00 C ATOM 332 NH1 ARG A 940 -5.913 17.684 -8.985 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.050 19.083 -7.380 1.00 0.00 N ATOM 0 H ARG A 940 0.842 15.329 -10.311 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.123 15.923 -12.970 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.129 16.999 -12.201 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.160 15.314 -11.720 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -1.783 15.839 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.224 17.458 -9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -3.540 17.836 -10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.025 16.347 -10.081 1.00 0.00 H new ATOM 0 HE ARG A 940 -2.836 18.228 -8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -5.773 17.029 -9.754 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -6.858 17.916 -8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -4.248 19.506 -6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -5.997 19.312 -7.077 1.00 0.00 H new ATOM 347 N TYR A 941 0.263 18.445 -12.345 1.00 0.00 N ATOM 348 CA TYR A 941 0.707 19.797 -12.036 1.00 0.00 C ATOM 349 C TYR A 941 -0.087 20.266 -10.823 1.00 0.00 C ATOM 350 O TYR A 941 -1.124 19.667 -10.505 1.00 0.00 O ATOM 351 CB TYR A 941 0.395 20.750 -13.182 1.00 0.00 C ATOM 352 CG TYR A 941 0.792 20.221 -14.543 1.00 0.00 C ATOM 353 CD1 TYR A 941 2.064 20.451 -15.044 1.00 0.00 C ATOM 354 CD2 TYR A 941 -0.092 19.475 -15.315 1.00 0.00 C ATOM 355 CE1 TYR A 941 2.445 19.960 -16.274 1.00 0.00 C ATOM 356 CE2 TYR A 941 0.285 18.976 -16.544 1.00 0.00 C ATOM 357 CZ TYR A 941 1.556 19.222 -17.018 1.00 0.00 C ATOM 358 OH TYR A 941 1.947 18.722 -18.238 1.00 0.00 O ATOM 0 H TYR A 941 -0.224 18.357 -13.237 1.00 0.00 H new ATOM 0 HA TYR A 941 1.783 19.792 -11.860 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.674 20.964 -13.183 1.00 0.00 H new ATOM 0 HB3 TYR A 941 0.909 21.695 -13.006 1.00 0.00 H new ATOM 0 HD1 TYR A 941 2.769 21.025 -14.460 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -1.089 19.284 -14.946 1.00 0.00 H new ATOM 0 HE1 TYR A 941 3.438 20.154 -16.652 1.00 0.00 H new ATOM 0 HE2 TYR A 941 -0.411 18.396 -17.132 1.00 0.00 H new ATOM 0 HH TYR A 941 2.911 18.547 -18.226 1.00 0.00 H new ATOM 368 N PRO A 942 0.347 21.321 -10.125 1.00 0.00 N ATOM 369 CA PRO A 942 -0.407 21.842 -8.993 1.00 0.00 C ATOM 370 C PRO A 942 -1.734 22.439 -9.441 1.00 0.00 C ATOM 371 O PRO A 942 -1.804 23.605 -9.849 1.00 0.00 O ATOM 372 CB PRO A 942 0.497 22.919 -8.402 1.00 0.00 C ATOM 373 CG PRO A 942 1.837 22.730 -9.033 1.00 0.00 C ATOM 374 CD PRO A 942 1.588 22.079 -10.357 1.00 0.00 C ATOM 0 HA PRO A 942 -0.658 21.063 -8.273 1.00 0.00 H new ATOM 0 HB2 PRO A 942 0.105 23.914 -8.611 1.00 0.00 H new ATOM 0 HB3 PRO A 942 0.560 22.823 -7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 942 2.346 23.686 -9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 942 2.477 22.108 -8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.469 22.815 -11.152 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.411 21.426 -10.647 1.00 0.00 H new ATOM 382 N GLY A 943 -2.757 21.601 -9.461 1.00 0.00 N ATOM 383 CA GLY A 943 -4.050 22.018 -9.921 1.00 0.00 C ATOM 384 C GLY A 943 -4.186 21.598 -11.365 1.00 0.00 C ATOM 385 O GLY A 943 -4.123 22.435 -12.259 1.00 0.00 O ATOM 0 H GLY A 943 -2.706 20.627 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -4.835 21.564 -9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -4.159 23.098 -9.826 1.00 0.00 H new ATOM 389 N GLY A 944 -4.343 20.302 -11.610 1.00 0.00 N ATOM 390 CA GLY A 944 -4.359 19.823 -12.968 1.00 0.00 C ATOM 391 C GLY A 944 -4.930 18.423 -13.090 1.00 0.00 C ATOM 392 O GLY A 944 -5.702 17.973 -12.237 1.00 0.00 O ATOM 0 H GLY A 944 -4.458 19.584 -10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.947 20.505 -13.582 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -3.343 19.832 -13.364 1.00 0.00 H new ATOM 396 N ASP A 945 -4.474 17.738 -14.117 1.00 0.00 N ATOM 397 CA ASP A 945 -4.928 16.387 -14.446 1.00 0.00 C ATOM 398 C ASP A 945 -3.831 15.395 -14.134 1.00 0.00 C ATOM 399 O ASP A 945 -2.663 15.656 -14.443 1.00 0.00 O ATOM 400 CB ASP A 945 -5.331 16.260 -15.920 1.00 0.00 C ATOM 401 CG ASP A 945 -6.513 17.125 -16.301 1.00 0.00 C ATOM 402 OD1 ASP A 945 -7.670 16.718 -16.077 1.00 0.00 O ATOM 403 OD2 ASP A 945 -6.309 18.222 -16.868 1.00 0.00 O ATOM 0 H ASP A 945 -3.769 18.100 -14.759 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.810 16.176 -13.841 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -4.479 16.527 -16.545 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -5.569 15.218 -16.134 1.00 0.00 H new ATOM 408 N TRP A 946 -4.182 14.272 -13.518 1.00 0.00 N ATOM 409 CA TRP A 946 -3.198 13.294 -13.147 1.00 0.00 C ATOM 410 C TRP A 946 -2.929 12.376 -14.323 1.00 0.00 C ATOM 411 O TRP A 946 -3.821 12.051 -15.111 1.00 0.00 O ATOM 412 CB TRP A 946 -3.651 12.428 -11.976 1.00 0.00 C ATOM 413 CG TRP A 946 -4.163 13.129 -10.778 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.442 13.497 -10.515 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.395 13.482 -9.638 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.502 14.065 -9.275 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.263 14.075 -8.720 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.053 13.360 -9.311 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -3.835 14.544 -7.490 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.626 13.826 -8.093 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.512 14.410 -7.198 1.00 0.00 C ATOM 0 H TRP A 946 -5.141 14.028 -13.271 1.00 0.00 H new ATOM 0 HA TRP A 946 -2.303 13.841 -12.851 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -4.431 11.756 -12.334 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -2.810 11.806 -11.670 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -6.281 13.362 -11.182 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.348 14.426 -8.833 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.357 12.907 -10.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.522 14.997 -6.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.583 13.737 -7.826 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.143 14.766 -6.248 1.00 0.00 H new ATOM 432 N LYS A 947 -1.703 11.960 -14.412 1.00 0.00 N ATOM 433 CA LYS A 947 -1.213 11.051 -15.415 1.00 0.00 C ATOM 434 C LYS A 947 -0.522 9.956 -14.621 1.00 0.00 C ATOM 435 O LYS A 947 -0.374 10.129 -13.409 1.00 0.00 O ATOM 436 CB LYS A 947 -0.217 11.797 -16.315 1.00 0.00 C ATOM 437 CG LYS A 947 -0.803 13.046 -16.947 1.00 0.00 C ATOM 438 CD LYS A 947 0.247 13.878 -17.659 1.00 0.00 C ATOM 439 CE LYS A 947 -0.337 15.200 -18.123 1.00 0.00 C ATOM 440 NZ LYS A 947 0.686 16.095 -18.715 1.00 0.00 N ATOM 0 H LYS A 947 -0.979 12.257 -13.758 1.00 0.00 H new ATOM 0 HA LYS A 947 -1.992 10.647 -16.062 1.00 0.00 H new ATOM 0 HB2 LYS A 947 0.659 12.072 -15.727 1.00 0.00 H new ATOM 0 HB3 LYS A 947 0.125 11.125 -17.102 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -1.580 12.761 -17.656 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -1.281 13.650 -16.176 1.00 0.00 H new ATOM 0 HD2 LYS A 947 1.088 14.061 -16.990 1.00 0.00 H new ATOM 0 HD3 LYS A 947 0.636 13.326 -18.515 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -1.119 15.010 -18.859 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -0.809 15.702 -17.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 0.755 16.965 -18.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 1.607 15.612 -18.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 0.414 16.337 -19.689 1.00 0.00 H new ATOM 454 N PRO A 948 -0.131 8.822 -15.216 1.00 0.00 N ATOM 455 CA PRO A 948 0.612 7.797 -14.490 1.00 0.00 C ATOM 456 C PRO A 948 1.891 8.398 -13.924 1.00 0.00 C ATOM 457 O PRO A 948 2.688 8.998 -14.654 1.00 0.00 O ATOM 458 CB PRO A 948 0.918 6.740 -15.556 1.00 0.00 C ATOM 459 CG PRO A 948 -0.103 6.972 -16.616 1.00 0.00 C ATOM 460 CD PRO A 948 -0.367 8.448 -16.604 1.00 0.00 C ATOM 0 HA PRO A 948 0.066 7.378 -13.645 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.929 6.852 -15.947 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.844 5.732 -15.148 1.00 0.00 H new ATOM 0 HG2 PRO A 948 0.262 6.647 -17.590 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -1.014 6.409 -16.413 1.00 0.00 H new ATOM 0 HD2 PRO A 948 0.299 8.981 -17.283 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -1.387 8.676 -16.914 1.00 0.00 H new ATOM 468 N ALA A 949 2.048 8.265 -12.618 1.00 0.00 N ATOM 469 CA ALA A 949 3.156 8.866 -11.869 1.00 0.00 C ATOM 470 C ALA A 949 4.567 8.368 -12.211 1.00 0.00 C ATOM 471 O ALA A 949 5.489 8.677 -11.446 1.00 0.00 O ATOM 472 CB ALA A 949 2.922 8.647 -10.396 1.00 0.00 C ATOM 0 H ALA A 949 1.405 7.731 -12.034 1.00 0.00 H new ATOM 0 HA ALA A 949 3.146 9.916 -12.160 1.00 0.00 H new ATOM 0 HB1 ALA A 949 3.740 9.090 -9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 949 1.982 9.115 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 949 2.875 7.578 -10.190 1.00 0.00 H new ATOM 478 N GLU A 950 4.745 7.594 -13.297 1.00 0.00 N ATOM 479 CA GLU A 950 6.054 7.048 -13.736 1.00 0.00 C ATOM 480 C GLU A 950 6.395 5.860 -12.920 1.00 0.00 C ATOM 481 O GLU A 950 6.742 4.802 -13.440 1.00 0.00 O ATOM 482 CB GLU A 950 7.198 8.038 -13.638 1.00 0.00 C ATOM 483 CG GLU A 950 6.979 9.191 -14.529 1.00 0.00 C ATOM 484 CD GLU A 950 7.995 10.281 -14.322 1.00 0.00 C ATOM 485 OE1 GLU A 950 9.100 10.201 -14.909 1.00 0.00 O ATOM 486 OE2 GLU A 950 7.718 11.227 -13.556 1.00 0.00 O ATOM 0 H GLU A 950 3.975 7.323 -13.908 1.00 0.00 H new ATOM 0 HA GLU A 950 5.935 6.795 -14.790 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.297 8.383 -12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 950 8.134 7.544 -13.900 1.00 0.00 H new ATOM 0 HG2 GLU A 950 7.016 8.857 -15.566 1.00 0.00 H new ATOM 0 HG3 GLU A 950 5.980 9.593 -14.359 1.00 0.00 H new ATOM 493 N ASP A 951 6.320 6.050 -11.640 1.00 0.00 N ATOM 494 CA ASP A 951 6.477 4.964 -10.767 1.00 0.00 C ATOM 495 C ASP A 951 5.128 4.787 -10.120 1.00 0.00 C ATOM 496 O ASP A 951 4.782 5.523 -9.191 1.00 0.00 O ATOM 497 CB ASP A 951 7.582 5.153 -9.720 1.00 0.00 C ATOM 498 CG ASP A 951 8.942 5.398 -10.327 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.472 4.506 -11.028 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.512 6.493 -10.116 1.00 0.00 O ATOM 0 H ASP A 951 6.151 6.950 -11.191 1.00 0.00 H new ATOM 0 HA ASP A 951 6.801 4.082 -11.320 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.323 5.993 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.628 4.267 -9.087 1.00 0.00 H new ATOM 505 N THR A 952 4.330 3.910 -10.683 1.00 0.00 N ATOM 506 CA THR A 952 2.967 3.746 -10.240 1.00 0.00 C ATOM 507 C THR A 952 2.907 3.043 -8.894 1.00 0.00 C ATOM 508 O THR A 952 2.349 3.582 -7.948 1.00 0.00 O ATOM 509 CB THR A 952 2.138 2.989 -11.290 1.00 0.00 C ATOM 510 OG1 THR A 952 2.290 3.643 -12.560 1.00 0.00 O ATOM 511 CG2 THR A 952 0.663 2.971 -10.910 1.00 0.00 C ATOM 0 H THR A 952 4.603 3.297 -11.451 1.00 0.00 H new ATOM 0 HA THR A 952 2.535 4.739 -10.117 1.00 0.00 H new ATOM 0 HB THR A 952 2.493 1.960 -11.343 1.00 0.00 H new ATOM 0 HG1 THR A 952 1.766 3.167 -13.238 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.098 2.430 -11.669 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.542 2.477 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.292 3.994 -10.843 1.00 0.00 H new ATOM 519 N TYR A 953 3.474 1.860 -8.797 1.00 0.00 N ATOM 520 CA TYR A 953 3.476 1.154 -7.544 1.00 0.00 C ATOM 521 C TYR A 953 4.750 1.398 -6.767 1.00 0.00 C ATOM 522 O TYR A 953 5.862 1.142 -7.233 1.00 0.00 O ATOM 523 CB TYR A 953 3.135 -0.317 -7.735 1.00 0.00 C ATOM 524 CG TYR A 953 1.650 -0.452 -7.976 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.772 -0.450 -6.901 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.121 -0.519 -9.256 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.588 -0.510 -7.088 1.00 0.00 C ATOM 528 CE2 TYR A 953 -0.245 -0.591 -9.454 1.00 0.00 C ATOM 529 CZ TYR A 953 -1.093 -0.581 -8.366 1.00 0.00 C ATOM 530 OH TYR A 953 -2.452 -0.633 -8.550 1.00 0.00 O ATOM 0 H TYR A 953 3.935 1.374 -9.566 1.00 0.00 H new ATOM 0 HA TYR A 953 2.679 1.560 -6.921 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.692 -0.726 -8.578 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.427 -0.888 -6.854 1.00 0.00 H new ATOM 0 HD1 TYR A 953 1.166 -0.400 -5.897 1.00 0.00 H new ATOM 0 HD2 TYR A 953 1.784 -0.515 -10.108 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.255 -0.501 -6.239 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -0.646 -0.655 -10.455 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.651 -0.679 -9.509 1.00 0.00 H new ATOM 540 N THR A 954 4.555 1.902 -5.572 1.00 0.00 N ATOM 541 CA THR A 954 5.621 2.350 -4.708 1.00 0.00 C ATOM 542 C THR A 954 5.347 1.900 -3.296 1.00 0.00 C ATOM 543 O THR A 954 4.272 1.381 -2.990 1.00 0.00 O ATOM 544 CB THR A 954 5.718 3.895 -4.696 1.00 0.00 C ATOM 545 OG1 THR A 954 4.473 4.460 -4.256 1.00 0.00 O ATOM 546 CG2 THR A 954 6.078 4.448 -6.069 1.00 0.00 C ATOM 0 H THR A 954 3.627 2.015 -5.163 1.00 0.00 H new ATOM 0 HA THR A 954 6.553 1.927 -5.084 1.00 0.00 H new ATOM 0 HB THR A 954 6.513 4.172 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.643 5.114 -3.546 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.137 5.535 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.042 4.047 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.313 4.158 -6.790 1.00 0.00 H new ATOM 554 N ASP A 955 6.314 2.128 -2.458 1.00 0.00 N ATOM 555 CA ASP A 955 6.193 1.949 -1.035 1.00 0.00 C ATOM 556 C ASP A 955 5.856 3.330 -0.484 1.00 0.00 C ATOM 557 O ASP A 955 5.856 4.293 -1.260 1.00 0.00 O ATOM 558 CB ASP A 955 7.537 1.433 -0.506 1.00 0.00 C ATOM 559 CG ASP A 955 7.642 1.381 1.000 1.00 0.00 C ATOM 560 OD1 ASP A 955 7.146 0.422 1.614 1.00 0.00 O ATOM 561 OD2 ASP A 955 8.264 2.298 1.584 1.00 0.00 O ATOM 0 H ASP A 955 7.236 2.453 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 955 5.427 1.230 -0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 955 7.709 0.433 -0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.333 2.071 -0.891 1.00 0.00 H new ATOM 566 N ALA A 956 5.538 3.457 0.794 1.00 0.00 N ATOM 567 CA ALA A 956 5.323 4.768 1.406 1.00 0.00 C ATOM 568 C ALA A 956 6.518 5.693 1.148 1.00 0.00 C ATOM 569 O ALA A 956 6.362 6.905 0.975 1.00 0.00 O ATOM 570 CB ALA A 956 5.081 4.623 2.900 1.00 0.00 C ATOM 0 H ALA A 956 5.422 2.670 1.432 1.00 0.00 H new ATOM 0 HA ALA A 956 4.440 5.215 0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 956 4.923 5.608 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 956 4.199 4.005 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 956 5.947 4.153 3.365 1.00 0.00 H new ATOM 576 N ASN A 957 7.704 5.099 1.073 1.00 0.00 N ATOM 577 CA ASN A 957 8.943 5.826 0.802 1.00 0.00 C ATOM 578 C ASN A 957 9.136 6.125 -0.686 1.00 0.00 C ATOM 579 O ASN A 957 10.112 6.765 -1.069 1.00 0.00 O ATOM 580 CB ASN A 957 10.148 5.033 1.310 1.00 0.00 C ATOM 581 CG ASN A 957 10.208 4.917 2.820 1.00 0.00 C ATOM 582 OD1 ASN A 957 10.820 5.750 3.489 1.00 0.00 O ATOM 583 ND2 ASN A 957 9.585 3.893 3.372 1.00 0.00 N ATOM 0 H ASN A 957 7.836 4.095 1.199 1.00 0.00 H new ATOM 0 HA ASN A 957 8.866 6.777 1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 957 10.122 4.032 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 957 11.062 5.510 0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 957 9.601 3.772 4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 957 9.088 3.222 2.786 1.00 0.00 H new ATOM 590 N GLY A 958 8.216 5.664 -1.529 1.00 0.00 N ATOM 591 CA GLY A 958 8.330 5.911 -2.951 1.00 0.00 C ATOM 592 C GLY A 958 9.104 4.848 -3.665 1.00 0.00 C ATOM 593 O GLY A 958 9.211 4.894 -4.891 1.00 0.00 O ATOM 0 H GLY A 958 7.396 5.125 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.332 5.980 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 958 8.814 6.875 -3.110 1.00 0.00 H new ATOM 597 N ASP A 959 9.719 3.963 -2.888 1.00 0.00 N ATOM 598 CA ASP A 959 10.432 2.812 -3.430 1.00 0.00 C ATOM 599 C ASP A 959 9.555 2.042 -4.385 1.00 0.00 C ATOM 600 O ASP A 959 8.599 1.389 -3.970 1.00 0.00 O ATOM 601 CB ASP A 959 10.954 1.883 -2.332 1.00 0.00 C ATOM 602 CG ASP A 959 12.099 2.494 -1.567 1.00 0.00 C ATOM 603 OD1 ASP A 959 13.205 2.597 -2.128 1.00 0.00 O ATOM 604 OD2 ASP A 959 11.903 2.926 -0.413 1.00 0.00 O ATOM 0 H ASP A 959 9.738 4.022 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 959 11.295 3.201 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 959 10.144 1.647 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 959 11.278 0.942 -2.778 1.00 0.00 H new ATOM 609 N LYS A 960 9.833 2.239 -5.664 1.00 0.00 N ATOM 610 CA LYS A 960 9.143 1.559 -6.751 1.00 0.00 C ATOM 611 C LYS A 960 9.176 0.061 -6.481 1.00 0.00 C ATOM 612 O LYS A 960 10.251 -0.534 -6.333 1.00 0.00 O ATOM 613 CB LYS A 960 9.826 1.906 -8.092 1.00 0.00 C ATOM 614 CG LYS A 960 9.057 1.550 -9.374 1.00 0.00 C ATOM 615 CD LYS A 960 8.863 0.056 -9.591 1.00 0.00 C ATOM 616 CE LYS A 960 8.182 -0.244 -10.918 1.00 0.00 C ATOM 617 NZ LYS A 960 7.872 -1.686 -11.060 1.00 0.00 N ATOM 0 H LYS A 960 10.555 2.885 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 960 8.104 1.883 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 960 10.028 2.977 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 960 10.791 1.400 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 960 8.079 2.031 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 960 9.589 1.964 -10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 960 9.831 -0.444 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 960 8.266 -0.354 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 960 7.262 0.335 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 960 8.827 0.072 -11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 7.195 -1.821 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 8.746 -2.210 -11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 7.457 -2.041 -10.175 1.00 0.00 H new ATOM 631 N ALA A 961 8.006 -0.523 -6.406 1.00 0.00 N ATOM 632 CA ALA A 961 7.865 -1.925 -6.107 1.00 0.00 C ATOM 633 C ALA A 961 7.085 -2.597 -7.223 1.00 0.00 C ATOM 634 O ALA A 961 6.832 -1.981 -8.262 1.00 0.00 O ATOM 635 CB ALA A 961 7.168 -2.101 -4.764 1.00 0.00 C ATOM 0 H ALA A 961 7.121 -0.037 -6.551 1.00 0.00 H new ATOM 0 HA ALA A 961 8.847 -2.392 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.065 -3.164 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 961 7.759 -1.625 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.181 -1.641 -4.803 1.00 0.00 H new ATOM 641 N ALA A 962 6.744 -3.853 -7.037 1.00 0.00 N ATOM 642 CA ALA A 962 5.954 -4.563 -8.023 1.00 0.00 C ATOM 643 C ALA A 962 4.482 -4.242 -7.809 1.00 0.00 C ATOM 644 O ALA A 962 4.096 -3.759 -6.743 1.00 0.00 O ATOM 645 CB ALA A 962 6.200 -6.061 -7.925 1.00 0.00 C ATOM 0 H ALA A 962 6.999 -4.403 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 962 6.248 -4.243 -9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 962 5.599 -6.578 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.255 -6.269 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 962 5.922 -6.411 -6.931 1.00 0.00 H new ATOM 651 N SER A 963 3.661 -4.495 -8.803 1.00 0.00 N ATOM 652 CA SER A 963 2.260 -4.225 -8.701 1.00 0.00 C ATOM 653 C SER A 963 1.565 -5.461 -8.110 1.00 0.00 C ATOM 654 O SER A 963 2.105 -6.557 -8.193 1.00 0.00 O ATOM 655 CB SER A 963 1.723 -3.899 -10.085 1.00 0.00 C ATOM 656 OG SER A 963 2.603 -3.030 -10.779 1.00 0.00 O ATOM 0 H SER A 963 3.951 -4.892 -9.697 1.00 0.00 H new ATOM 0 HA SER A 963 2.070 -3.373 -8.048 1.00 0.00 H new ATOM 0 HB2 SER A 963 1.591 -4.819 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 963 0.741 -3.434 -9.998 1.00 0.00 H new ATOM 0 HG SER A 963 2.522 -2.124 -10.415 1.00 0.00 H new ATOM 662 N PRO A 964 0.377 -5.282 -7.513 1.00 0.00 N ATOM 663 CA PRO A 964 -0.391 -6.322 -6.794 1.00 0.00 C ATOM 664 C PRO A 964 -0.483 -7.722 -7.433 1.00 0.00 C ATOM 665 O PRO A 964 -0.528 -8.717 -6.712 1.00 0.00 O ATOM 666 CB PRO A 964 -1.793 -5.743 -6.706 1.00 0.00 C ATOM 667 CG PRO A 964 -1.739 -4.333 -7.185 1.00 0.00 C ATOM 668 CD PRO A 964 -0.304 -3.991 -7.449 1.00 0.00 C ATOM 0 HA PRO A 964 0.126 -6.518 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -2.485 -6.326 -7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -2.158 -5.783 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -2.332 -4.215 -8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -2.161 -3.660 -6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 964 -0.193 -3.438 -8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.107 -3.365 -6.657 1.00 0.00 H new ATOM 676 N SER A 965 -0.493 -7.817 -8.750 1.00 0.00 N ATOM 677 CA SER A 965 -0.650 -9.113 -9.398 1.00 0.00 C ATOM 678 C SER A 965 0.724 -9.766 -9.541 1.00 0.00 C ATOM 679 O SER A 965 0.893 -10.984 -9.401 1.00 0.00 O ATOM 680 CB SER A 965 -1.338 -8.933 -10.746 1.00 0.00 C ATOM 681 OG SER A 965 -2.562 -8.223 -10.590 1.00 0.00 O ATOM 0 H SER A 965 -0.396 -7.027 -9.387 1.00 0.00 H new ATOM 0 HA SER A 965 -1.278 -9.769 -8.795 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.681 -8.392 -11.427 1.00 0.00 H new ATOM 0 HB3 SER A 965 -1.530 -9.907 -11.196 1.00 0.00 H new ATOM 0 HG SER A 965 -2.991 -8.114 -11.464 1.00 0.00 H new ATOM 687 N GLU A 966 1.710 -8.918 -9.783 1.00 0.00 N ATOM 688 CA GLU A 966 3.113 -9.303 -9.825 1.00 0.00 C ATOM 689 C GLU A 966 3.607 -9.582 -8.395 1.00 0.00 C ATOM 690 O GLU A 966 4.651 -10.192 -8.178 1.00 0.00 O ATOM 691 CB GLU A 966 3.928 -8.177 -10.471 1.00 0.00 C ATOM 692 CG GLU A 966 5.379 -8.525 -10.756 1.00 0.00 C ATOM 693 CD GLU A 966 5.507 -9.654 -11.746 1.00 0.00 C ATOM 694 OE1 GLU A 966 5.534 -10.828 -11.325 1.00 0.00 O ATOM 695 OE2 GLU A 966 5.576 -9.384 -12.963 1.00 0.00 O ATOM 0 H GLU A 966 1.556 -7.925 -9.959 1.00 0.00 H new ATOM 0 HA GLU A 966 3.236 -10.208 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 966 3.447 -7.890 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 966 3.900 -7.305 -9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 966 5.893 -7.645 -11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 966 5.875 -8.801 -9.825 1.00 0.00 H new ATOM 702 N LEU A 967 2.799 -9.193 -7.432 1.00 0.00 N ATOM 703 CA LEU A 967 3.115 -9.386 -6.038 1.00 0.00 C ATOM 704 C LEU A 967 2.577 -10.743 -5.618 1.00 0.00 C ATOM 705 O LEU A 967 1.366 -10.957 -5.568 1.00 0.00 O ATOM 706 CB LEU A 967 2.508 -8.235 -5.224 1.00 0.00 C ATOM 707 CG LEU A 967 3.321 -6.937 -5.242 1.00 0.00 C ATOM 708 CD1 LEU A 967 2.587 -5.823 -4.519 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.683 -7.158 -4.605 1.00 0.00 C ATOM 0 H LEU A 967 1.903 -8.733 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 967 4.190 -9.375 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.508 -8.026 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.393 -8.561 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 967 3.457 -6.640 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.187 -4.914 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 967 1.630 -5.641 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.416 -6.113 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.249 -6.227 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.553 -7.482 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.224 -7.924 -5.160 1.00 0.00 H new ATOM 721 N THR A 968 3.485 -11.666 -5.361 1.00 0.00 N ATOM 722 CA THR A 968 3.136 -13.041 -5.065 1.00 0.00 C ATOM 723 C THR A 968 3.499 -13.426 -3.630 1.00 0.00 C ATOM 724 O THR A 968 3.894 -12.579 -2.822 1.00 0.00 O ATOM 725 CB THR A 968 3.840 -13.976 -6.071 1.00 0.00 C ATOM 726 OG1 THR A 968 5.234 -13.633 -6.163 1.00 0.00 O ATOM 727 CG2 THR A 968 3.201 -13.879 -7.450 1.00 0.00 C ATOM 0 H THR A 968 4.488 -11.482 -5.352 1.00 0.00 H new ATOM 0 HA THR A 968 2.055 -13.147 -5.160 1.00 0.00 H new ATOM 0 HB THR A 968 3.735 -15.000 -5.713 1.00 0.00 H new ATOM 0 HG1 THR A 968 5.676 -14.231 -6.801 1.00 0.00 H new ATOM 0 HG21 THR A 968 3.717 -14.548 -8.138 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.151 -14.164 -7.385 1.00 0.00 H new ATOM 0 HG23 THR A 968 3.277 -12.855 -7.815 1.00 0.00 H new ATOM 735 N CYS A 969 3.375 -14.696 -3.304 1.00 0.00 N ATOM 736 CA CYS A 969 3.659 -15.160 -1.967 1.00 0.00 C ATOM 737 C CYS A 969 4.865 -16.108 -1.954 1.00 0.00 C ATOM 738 O CYS A 969 4.936 -17.057 -2.744 1.00 0.00 O ATOM 739 CB CYS A 969 2.408 -15.813 -1.375 1.00 0.00 C ATOM 740 SG CYS A 969 1.672 -17.122 -2.383 1.00 0.00 S ATOM 0 H CYS A 969 3.078 -15.426 -3.952 1.00 0.00 H new ATOM 0 HA CYS A 969 3.928 -14.308 -1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.661 -16.227 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.658 -15.040 -1.209 1.00 0.00 H new ATOM 0 HG CYS A 969 0.624 -17.598 -1.778 1.00 0.00 H new ATOM 746 N PRO A 970 5.839 -15.846 -1.065 1.00 0.00 N ATOM 747 CA PRO A 970 7.046 -16.672 -0.927 1.00 0.00 C ATOM 748 C PRO A 970 6.709 -18.027 -0.306 1.00 0.00 C ATOM 749 O PRO A 970 5.581 -18.211 0.159 1.00 0.00 O ATOM 750 CB PRO A 970 7.917 -15.834 0.018 1.00 0.00 C ATOM 751 CG PRO A 970 6.946 -15.084 0.842 1.00 0.00 C ATOM 752 CD PRO A 970 5.828 -14.740 -0.097 1.00 0.00 C ATOM 0 HA PRO A 970 7.531 -16.899 -1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.557 -16.466 0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 970 8.572 -15.161 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.589 -15.686 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 970 7.397 -14.186 1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.873 -14.672 0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.994 -13.779 -0.584 1.00 0.00 H new ATOM 760 N PRO A 971 7.657 -18.992 -0.296 1.00 0.00 N ATOM 761 CA PRO A 971 7.439 -20.322 0.301 1.00 0.00 C ATOM 762 C PRO A 971 6.827 -20.273 1.705 1.00 0.00 C ATOM 763 O PRO A 971 6.052 -21.159 2.080 1.00 0.00 O ATOM 764 CB PRO A 971 8.850 -20.905 0.363 1.00 0.00 C ATOM 765 CG PRO A 971 9.562 -20.277 -0.778 1.00 0.00 C ATOM 766 CD PRO A 971 9.005 -18.887 -0.902 1.00 0.00 C ATOM 0 HA PRO A 971 6.728 -20.907 -0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 971 9.335 -20.671 1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.835 -21.991 0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 971 10.637 -20.252 -0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 971 9.404 -20.844 -1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 971 9.624 -18.159 -0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.952 -18.568 -1.943 1.00 0.00 H new ATOM 774 N GLY A 972 7.173 -19.253 2.472 1.00 0.00 N ATOM 775 CA GLY A 972 6.654 -19.121 3.809 1.00 0.00 C ATOM 776 C GLY A 972 5.683 -17.966 3.977 1.00 0.00 C ATOM 777 O GLY A 972 5.726 -17.294 4.996 1.00 0.00 O ATOM 0 H GLY A 972 7.810 -18.509 2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 972 6.153 -20.048 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 972 7.486 -18.988 4.500 1.00 0.00 H new ATOM 781 N TRP A 973 4.896 -17.662 2.953 1.00 0.00 N ATOM 782 CA TRP A 973 3.774 -16.732 3.076 1.00 0.00 C ATOM 783 C TRP A 973 2.629 -17.143 2.169 1.00 0.00 C ATOM 784 O TRP A 973 2.838 -17.575 1.039 1.00 0.00 O ATOM 785 CB TRP A 973 4.157 -15.265 2.836 1.00 0.00 C ATOM 786 CG TRP A 973 4.723 -14.585 4.044 1.00 0.00 C ATOM 787 CD1 TRP A 973 6.018 -14.225 4.239 1.00 0.00 C ATOM 788 CD2 TRP A 973 4.021 -14.218 5.239 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.169 -13.665 5.480 1.00 0.00 N ATOM 790 CE2 TRP A 973 4.958 -13.638 6.111 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.698 -14.319 5.655 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.611 -13.162 7.374 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.351 -13.852 6.910 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.305 -13.279 7.756 1.00 0.00 C ATOM 0 H TRP A 973 5.014 -18.049 2.017 1.00 0.00 H new ATOM 0 HA TRP A 973 3.449 -16.793 4.115 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.887 -15.217 2.028 1.00 0.00 H new ATOM 0 HB3 TRP A 973 3.275 -14.718 2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.813 -14.360 3.520 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.047 -13.322 5.871 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.952 -14.756 5.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.348 -12.717 8.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.326 -13.931 7.242 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.004 -12.922 8.730 1.00 0.00 H new ATOM 805 N GLU A 974 1.425 -16.990 2.668 1.00 0.00 N ATOM 806 CA GLU A 974 0.216 -17.394 1.981 1.00 0.00 C ATOM 807 C GLU A 974 -0.703 -16.179 1.913 1.00 0.00 C ATOM 808 O GLU A 974 -0.586 -15.284 2.738 1.00 0.00 O ATOM 809 CB GLU A 974 -0.414 -18.552 2.782 1.00 0.00 C ATOM 810 CG GLU A 974 -1.766 -19.041 2.305 1.00 0.00 C ATOM 811 CD GLU A 974 -1.720 -19.615 0.905 1.00 0.00 C ATOM 812 OE1 GLU A 974 -1.645 -18.833 -0.070 1.00 0.00 O ATOM 813 OE2 GLU A 974 -1.754 -20.853 0.749 1.00 0.00 O ATOM 0 H GLU A 974 1.253 -16.572 3.582 1.00 0.00 H new ATOM 0 HA GLU A 974 0.405 -17.742 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 974 0.278 -19.394 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.511 -18.236 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -2.136 -19.801 2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -2.476 -18.215 2.331 1.00 0.00 H new ATOM 820 N TRP A 975 -1.497 -16.053 0.876 1.00 0.00 N ATOM 821 CA TRP A 975 -2.453 -14.962 0.836 1.00 0.00 C ATOM 822 C TRP A 975 -3.651 -15.196 1.732 1.00 0.00 C ATOM 823 O TRP A 975 -4.118 -16.317 1.923 1.00 0.00 O ATOM 824 CB TRP A 975 -2.866 -14.611 -0.589 1.00 0.00 C ATOM 825 CG TRP A 975 -1.760 -13.952 -1.326 1.00 0.00 C ATOM 826 CD1 TRP A 975 -1.157 -14.395 -2.451 1.00 0.00 C ATOM 827 CD2 TRP A 975 -1.094 -12.737 -0.954 1.00 0.00 C ATOM 828 NE1 TRP A 975 -0.175 -13.524 -2.824 1.00 0.00 N ATOM 829 CE2 TRP A 975 -0.108 -12.500 -1.922 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.243 -11.822 0.095 1.00 0.00 C ATOM 831 CZ2 TRP A 975 0.732 -11.391 -1.872 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.408 -10.722 0.139 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.568 -10.518 -0.837 1.00 0.00 C ATOM 0 H TRP A 975 -1.505 -16.673 0.066 1.00 0.00 H new ATOM 0 HA TRP A 975 -1.935 -14.093 1.241 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.167 -15.516 -1.116 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.734 -13.952 -0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.414 -15.303 -2.977 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.417 -13.622 -3.649 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -1.996 -11.973 0.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.487 -11.228 -2.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.513 -10.008 0.943 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.207 -9.650 -0.771 1.00 0.00 H new ATOM 844 N GLU A 976 -4.105 -14.114 2.320 1.00 0.00 N ATOM 845 CA GLU A 976 -5.229 -14.143 3.228 1.00 0.00 C ATOM 846 C GLU A 976 -6.441 -13.479 2.598 1.00 0.00 C ATOM 847 O GLU A 976 -7.558 -13.995 2.658 1.00 0.00 O ATOM 848 CB GLU A 976 -4.874 -13.372 4.485 1.00 0.00 C ATOM 849 CG GLU A 976 -4.829 -14.204 5.733 1.00 0.00 C ATOM 850 CD GLU A 976 -6.153 -14.821 6.061 1.00 0.00 C ATOM 851 OE1 GLU A 976 -7.054 -14.090 6.488 1.00 0.00 O ATOM 852 OE2 GLU A 976 -6.309 -16.044 5.912 1.00 0.00 O ATOM 0 H GLU A 976 -3.705 -13.186 2.182 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.459 -15.183 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -3.902 -12.899 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.601 -12.572 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -4.085 -14.991 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -4.505 -13.583 6.568 1.00 0.00 H new ATOM 859 N ASP A 977 -6.184 -12.342 1.981 1.00 0.00 N ATOM 860 CA ASP A 977 -7.236 -11.467 1.496 1.00 0.00 C ATOM 861 C ASP A 977 -7.599 -11.792 0.049 1.00 0.00 C ATOM 862 O ASP A 977 -6.797 -12.390 -0.676 1.00 0.00 O ATOM 863 CB ASP A 977 -6.760 -10.020 1.607 1.00 0.00 C ATOM 864 CG ASP A 977 -7.871 -9.006 1.469 1.00 0.00 C ATOM 865 OD1 ASP A 977 -8.216 -8.613 0.338 1.00 0.00 O ATOM 866 OD2 ASP A 977 -8.372 -8.542 2.510 1.00 0.00 O ATOM 0 H ASP A 977 -5.241 -11.998 1.801 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.130 -11.615 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -6.270 -9.880 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -6.011 -9.833 0.838 1.00 0.00 H new ATOM 871 N ASP A 978 -8.791 -11.379 -0.350 1.00 0.00 N ATOM 872 CA ASP A 978 -9.317 -11.576 -1.702 1.00 0.00 C ATOM 873 C ASP A 978 -8.496 -10.855 -2.770 1.00 0.00 C ATOM 874 O ASP A 978 -8.023 -11.487 -3.715 1.00 0.00 O ATOM 875 CB ASP A 978 -10.777 -11.107 -1.774 1.00 0.00 C ATOM 876 CG ASP A 978 -11.348 -11.138 -3.182 1.00 0.00 C ATOM 877 OD1 ASP A 978 -11.616 -12.235 -3.712 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.554 -10.061 -3.783 1.00 0.00 O ATOM 0 H ASP A 978 -9.438 -10.886 0.266 1.00 0.00 H new ATOM 0 HA ASP A 978 -9.253 -12.644 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -11.387 -11.738 -1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.845 -10.092 -1.384 1.00 0.00 H new ATOM 883 N ALA A 979 -8.267 -9.561 -2.597 1.00 0.00 N ATOM 884 CA ALA A 979 -7.624 -8.759 -3.629 1.00 0.00 C ATOM 885 C ALA A 979 -7.111 -7.462 -3.039 1.00 0.00 C ATOM 886 O ALA A 979 -7.559 -7.038 -1.972 1.00 0.00 O ATOM 887 CB ALA A 979 -8.601 -8.461 -4.759 1.00 0.00 C ATOM 0 H ALA A 979 -8.516 -9.044 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.784 -9.325 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -8.104 -7.861 -5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.943 -9.397 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -9.456 -7.911 -4.365 1.00 0.00 H new ATOM 893 N TRP A 980 -6.179 -6.836 -3.731 1.00 0.00 N ATOM 894 CA TRP A 980 -5.628 -5.591 -3.238 1.00 0.00 C ATOM 895 C TRP A 980 -6.650 -4.505 -3.474 1.00 0.00 C ATOM 896 O TRP A 980 -7.010 -4.192 -4.614 1.00 0.00 O ATOM 897 CB TRP A 980 -4.298 -5.200 -3.873 1.00 0.00 C ATOM 898 CG TRP A 980 -3.228 -6.250 -3.769 1.00 0.00 C ATOM 899 CD1 TRP A 980 -3.211 -7.474 -4.377 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.995 -6.148 -3.048 1.00 0.00 C ATOM 901 NE1 TRP A 980 -2.056 -8.142 -4.064 1.00 0.00 N ATOM 902 CE2 TRP A 980 -1.288 -7.348 -3.256 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.419 -5.163 -2.242 1.00 0.00 C ATOM 904 CZ2 TRP A 980 -0.041 -7.587 -2.691 1.00 0.00 C ATOM 905 CZ3 TRP A 980 -0.179 -5.401 -1.680 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.498 -6.604 -1.907 1.00 0.00 C ATOM 0 H TRP A 980 -5.794 -7.161 -4.618 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.413 -5.726 -2.178 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.465 -4.972 -4.926 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.939 -4.285 -3.402 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.995 -7.859 -5.012 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.809 -9.079 -4.382 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.934 -4.231 -2.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.483 -8.515 -2.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.275 -4.646 -1.055 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.466 -6.760 -1.454 1.00 0.00 H new ATOM 917 N SER A 981 -7.109 -3.946 -2.396 1.00 0.00 N ATOM 918 CA SER A 981 -8.162 -2.965 -2.425 1.00 0.00 C ATOM 919 C SER A 981 -7.634 -1.747 -1.708 1.00 0.00 C ATOM 920 O SER A 981 -6.705 -1.871 -0.949 1.00 0.00 O ATOM 921 CB SER A 981 -9.393 -3.531 -1.718 1.00 0.00 C ATOM 922 OG SER A 981 -9.770 -4.780 -2.286 1.00 0.00 O ATOM 0 H SER A 981 -6.763 -4.157 -1.460 1.00 0.00 H new ATOM 0 HA SER A 981 -8.455 -2.705 -3.442 1.00 0.00 H new ATOM 0 HB2 SER A 981 -9.182 -3.658 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 981 -10.220 -2.826 -1.797 1.00 0.00 H new ATOM 0 HG SER A 981 -9.099 -5.458 -2.061 1.00 0.00 H new ATOM 928 N TYR A 982 -8.202 -0.599 -1.921 1.00 0.00 N ATOM 929 CA TYR A 982 -7.660 0.590 -1.291 1.00 0.00 C ATOM 930 C TYR A 982 -8.014 0.622 0.184 1.00 0.00 C ATOM 931 O TYR A 982 -9.142 0.310 0.580 1.00 0.00 O ATOM 932 CB TYR A 982 -8.097 1.858 -2.016 1.00 0.00 C ATOM 933 CG TYR A 982 -9.574 1.926 -2.277 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.111 1.251 -3.353 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.417 2.656 -1.461 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.460 1.301 -3.620 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.771 2.718 -1.718 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.288 2.039 -2.801 1.00 0.00 C ATOM 939 OH TYR A 982 -13.639 2.101 -3.069 1.00 0.00 O ATOM 0 H TYR A 982 -9.021 -0.450 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.573 0.550 -1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.801 2.724 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.566 1.924 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.463 0.674 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.011 3.185 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -11.867 0.766 -4.465 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.421 3.294 -1.076 1.00 0.00 H new ATOM 0 HH TYR A 982 -14.081 2.661 -2.397 1.00 0.00 H new ATOM 949 N ASP A 983 -7.020 0.944 0.977 1.00 0.00 N ATOM 950 CA ASP A 983 -7.140 0.966 2.418 1.00 0.00 C ATOM 951 C ASP A 983 -7.766 2.270 2.848 1.00 0.00 C ATOM 952 O ASP A 983 -7.275 3.342 2.502 1.00 0.00 O ATOM 953 CB ASP A 983 -5.758 0.803 3.053 1.00 0.00 C ATOM 954 CG ASP A 983 -5.777 0.792 4.570 1.00 0.00 C ATOM 955 OD1 ASP A 983 -6.833 0.489 5.167 1.00 0.00 O ATOM 956 OD2 ASP A 983 -4.709 1.020 5.184 1.00 0.00 O ATOM 0 H ASP A 983 -6.093 1.201 0.637 1.00 0.00 H new ATOM 0 HA ASP A 983 -7.774 0.143 2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.313 -0.127 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.115 1.615 2.713 1.00 0.00 H new ATOM 961 N ILE A 984 -8.844 2.166 3.587 1.00 0.00 N ATOM 962 CA ILE A 984 -9.570 3.324 4.062 1.00 0.00 C ATOM 963 C ILE A 984 -9.648 3.318 5.577 1.00 0.00 C ATOM 964 O ILE A 984 -10.347 4.123 6.192 1.00 0.00 O ATOM 965 CB ILE A 984 -10.976 3.444 3.410 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.706 2.086 3.290 1.00 0.00 C ATOM 967 CG2 ILE A 984 -10.856 4.098 2.046 1.00 0.00 C ATOM 968 CD1 ILE A 984 -12.109 1.435 4.600 1.00 0.00 C ATOM 0 H ILE A 984 -9.245 1.275 3.878 1.00 0.00 H new ATOM 0 HA ILE A 984 -9.016 4.211 3.756 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.582 4.065 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -12.602 2.229 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.062 1.395 2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -11.844 4.180 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.424 5.093 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.213 3.492 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -12.612 0.490 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -11.220 1.250 5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -12.784 2.097 5.142 1.00 0.00 H new ATOM 980 N ASN A 985 -8.855 2.437 6.170 1.00 0.00 N ATOM 981 CA ASN A 985 -8.803 2.259 7.618 1.00 0.00 C ATOM 982 C ASN A 985 -7.783 3.239 8.216 1.00 0.00 C ATOM 983 O ASN A 985 -7.306 3.086 9.339 1.00 0.00 O ATOM 984 CB ASN A 985 -8.422 0.793 7.900 1.00 0.00 C ATOM 985 CG ASN A 985 -8.518 0.373 9.357 1.00 0.00 C ATOM 986 OD1 ASN A 985 -7.552 0.452 10.116 1.00 0.00 O ATOM 987 ND2 ASN A 985 -9.674 -0.109 9.750 1.00 0.00 N ATOM 0 H ASN A 985 -8.224 1.820 5.658 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.768 2.470 8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -9.068 0.145 7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -7.401 0.626 7.556 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -9.792 -0.432 10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -10.454 -0.160 9.095 1.00 0.00 H new ATOM 994 N ARG A 986 -7.529 4.313 7.488 1.00 0.00 N ATOM 995 CA ARG A 986 -6.506 5.285 7.830 1.00 0.00 C ATOM 996 C ARG A 986 -6.964 6.662 7.396 1.00 0.00 C ATOM 997 O ARG A 986 -8.073 6.814 6.874 1.00 0.00 O ATOM 998 CB ARG A 986 -5.201 4.975 7.109 1.00 0.00 C ATOM 999 CG ARG A 986 -4.427 3.783 7.629 1.00 0.00 C ATOM 1000 CD ARG A 986 -3.197 3.566 6.775 1.00 0.00 C ATOM 1001 NE ARG A 986 -2.364 4.769 6.690 1.00 0.00 N ATOM 1002 CZ ARG A 986 -2.104 5.425 5.550 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -2.529 4.945 4.386 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -1.425 6.558 5.565 1.00 0.00 N ATOM 0 H ARG A 986 -8.035 4.537 6.631 1.00 0.00 H new ATOM 0 HA ARG A 986 -6.344 5.246 8.907 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -5.421 4.809 6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -4.559 5.854 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -4.137 3.949 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -5.056 2.893 7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -2.609 2.747 7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -3.501 3.265 5.773 1.00 0.00 H new ATOM 0 HE ARG A 986 -1.956 5.130 7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -3.056 4.072 4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -2.328 5.449 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -1.093 6.942 6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -1.233 7.049 4.692 1.00 0.00 H new ATOM 1018 N ALA A 987 -6.109 7.651 7.581 1.00 0.00 N ATOM 1019 CA ALA A 987 -6.395 8.998 7.138 1.00 0.00 C ATOM 1020 C ALA A 987 -6.058 9.115 5.659 1.00 0.00 C ATOM 1021 O ALA A 987 -4.947 9.486 5.282 1.00 0.00 O ATOM 1022 CB ALA A 987 -5.631 10.027 7.962 1.00 0.00 C ATOM 0 H ALA A 987 -5.204 7.542 8.039 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.456 9.204 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.868 11.029 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.917 9.939 9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -4.560 9.850 7.863 1.00 0.00 H new ATOM 1028 N VAL A 988 -7.012 8.703 4.844 1.00 0.00 N ATOM 1029 CA VAL A 988 -6.896 8.701 3.393 1.00 0.00 C ATOM 1030 C VAL A 988 -8.178 9.253 2.772 1.00 0.00 C ATOM 1031 O VAL A 988 -9.206 9.349 3.465 1.00 0.00 O ATOM 1032 CB VAL A 988 -6.681 7.259 2.864 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -5.364 6.675 3.347 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -7.830 6.358 3.287 1.00 0.00 C ATOM 0 H VAL A 988 -7.910 8.352 5.178 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.042 9.321 3.120 1.00 0.00 H new ATOM 0 HB VAL A 988 -6.649 7.314 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -5.249 5.664 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -4.540 7.296 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -5.357 6.645 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -7.661 5.351 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -7.889 6.330 4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -8.765 6.747 2.883 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.099 9.690 1.516 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.283 10.047 0.711 1.00 0.00 C ATOM 1046 C ASP A 989 -10.257 8.871 0.664 1.00 0.00 C ATOM 1047 O ASP A 989 -9.913 7.755 1.058 1.00 0.00 O ATOM 1048 CB ASP A 989 -8.840 10.419 -0.722 1.00 0.00 C ATOM 1049 CG ASP A 989 -9.962 10.761 -1.684 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -10.370 11.934 -1.753 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -10.470 9.851 -2.376 1.00 0.00 O ATOM 0 H ASP A 989 -7.215 9.809 1.021 1.00 0.00 H new ATOM 0 HA ASP A 989 -9.783 10.901 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.162 11.270 -0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -8.271 9.586 -1.136 1.00 0.00 H new ATOM 1056 N GLU A 990 -11.460 9.099 0.172 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.452 8.050 0.051 1.00 0.00 C ATOM 1058 C GLU A 990 -11.970 6.930 -0.828 1.00 0.00 C ATOM 1059 O GLU A 990 -12.309 5.769 -0.612 1.00 0.00 O ATOM 1060 CB GLU A 990 -13.748 8.619 -0.476 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.415 9.455 0.570 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.708 10.060 0.106 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -16.766 9.421 0.261 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -15.695 11.187 -0.419 1.00 0.00 O ATOM 0 H GLU A 990 -11.775 10.013 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 990 -12.624 7.635 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -13.554 9.222 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.411 7.809 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -14.604 8.841 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -13.737 10.252 0.876 1.00 0.00 H new ATOM 1071 N LYS A 991 -11.182 7.271 -1.818 1.00 0.00 N ATOM 1072 CA LYS A 991 -10.656 6.263 -2.691 1.00 0.00 C ATOM 1073 C LYS A 991 -9.261 5.825 -2.246 1.00 0.00 C ATOM 1074 O LYS A 991 -8.597 5.051 -2.940 1.00 0.00 O ATOM 1075 CB LYS A 991 -10.647 6.794 -4.117 1.00 0.00 C ATOM 1076 CG LYS A 991 -11.997 7.351 -4.507 1.00 0.00 C ATOM 1077 CD LYS A 991 -11.974 8.073 -5.827 1.00 0.00 C ATOM 1078 CE LYS A 991 -13.280 8.809 -6.005 1.00 0.00 C ATOM 1079 NZ LYS A 991 -13.344 9.554 -7.283 1.00 0.00 N ATOM 0 H LYS A 991 -10.897 8.226 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 991 -11.293 5.379 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -9.889 7.572 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -10.370 5.994 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -12.720 6.537 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.340 8.035 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -11.139 8.773 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -11.827 7.364 -6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -14.103 8.096 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -13.417 9.504 -5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -14.260 10.041 -7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -12.576 10.255 -7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -13.241 8.890 -8.077 1.00 0.00 H new ATOM 1093 N GLY A 992 -8.803 6.356 -1.117 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.541 5.945 -0.534 1.00 0.00 C ATOM 1095 C GLY A 992 -6.424 6.933 -0.795 1.00 0.00 C ATOM 1096 O GLY A 992 -5.406 6.906 -0.118 1.00 0.00 O ATOM 0 H GLY A 992 -9.295 7.076 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.666 5.821 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -7.260 4.972 -0.936 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.598 7.740 -1.832 1.00 0.00 N ATOM 1101 CA TRP A 993 -5.608 8.744 -2.238 1.00 0.00 C ATOM 1102 C TRP A 993 -5.145 9.649 -1.085 1.00 0.00 C ATOM 1103 O TRP A 993 -5.936 10.320 -0.434 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.155 9.609 -3.371 1.00 0.00 C ATOM 1105 CG TRP A 993 -6.525 8.853 -4.616 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -7.779 8.691 -5.125 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -5.638 8.163 -5.512 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -7.724 7.962 -6.287 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -6.426 7.631 -6.549 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -4.257 7.954 -5.549 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -5.880 6.907 -7.607 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -3.717 7.232 -6.597 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -4.527 6.717 -7.615 1.00 0.00 C ATOM 0 H TRP A 993 -7.430 7.722 -2.421 1.00 0.00 H new ATOM 0 HA TRP A 993 -4.737 8.183 -2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.035 10.142 -3.011 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -5.410 10.362 -3.627 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -8.683 9.079 -4.680 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -8.526 7.708 -6.863 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -3.621 8.350 -4.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -6.505 6.510 -8.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -2.651 7.062 -6.631 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.075 6.159 -8.422 1.00 0.00 H new ATOM 1124 N GLU A 994 -3.858 9.652 -0.833 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.306 10.507 0.201 1.00 0.00 C ATOM 1126 C GLU A 994 -2.718 11.770 -0.419 1.00 0.00 C ATOM 1127 O GLU A 994 -2.250 11.772 -1.568 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.257 9.775 1.042 1.00 0.00 C ATOM 1129 CG GLU A 994 -2.741 8.418 1.502 1.00 0.00 C ATOM 1130 CD GLU A 994 -1.896 7.750 2.581 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -1.526 8.413 3.578 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -1.624 6.526 2.478 1.00 0.00 O ATOM 0 H GLU A 994 -3.173 9.077 -1.324 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.118 10.788 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -1.345 9.655 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -2.002 10.382 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -3.760 8.523 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -2.785 7.755 0.638 1.00 0.00 H new ATOM 1139 N TYR A 995 -2.784 12.826 0.372 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.390 14.188 0.029 1.00 0.00 C ATOM 1141 C TYR A 995 -0.887 14.311 0.054 1.00 0.00 C ATOM 1142 O TYR A 995 -0.328 14.627 1.076 1.00 0.00 O ATOM 1143 CB TYR A 995 -3.070 15.152 1.038 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.700 16.640 1.027 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -3.380 17.549 0.234 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -1.714 17.140 1.875 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -3.084 18.898 0.270 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -1.422 18.489 1.926 1.00 0.00 C ATOM 1149 CZ TYR A 995 -2.111 19.363 1.119 1.00 0.00 C ATOM 1150 OH TYR A 995 -1.835 20.711 1.166 1.00 0.00 O ATOM 0 H TYR A 995 -3.134 12.756 1.327 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.713 14.447 -0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.147 15.082 0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -2.868 14.772 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -4.158 17.196 -0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -1.166 16.457 2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -3.618 19.586 -0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -0.657 18.855 2.595 1.00 0.00 H new ATOM 0 HH TYR A 995 -2.353 21.175 0.476 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.248 14.004 -1.052 1.00 0.00 N ATOM 1161 CA GLY A 996 1.183 14.077 -1.096 1.00 0.00 C ATOM 1162 C GLY A 996 1.617 15.164 -2.010 1.00 0.00 C ATOM 1163 O GLY A 996 1.778 14.964 -3.202 1.00 0.00 O ATOM 0 H GLY A 996 -0.695 13.706 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.575 14.256 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.592 13.125 -1.433 1.00 0.00 H new ATOM 1167 N ILE A 997 1.803 16.326 -1.480 1.00 0.00 N ATOM 1168 CA ILE A 997 2.134 17.430 -2.328 1.00 0.00 C ATOM 1169 C ILE A 997 3.622 17.733 -2.171 1.00 0.00 C ATOM 1170 O ILE A 997 4.206 17.453 -1.117 1.00 0.00 O ATOM 1171 CB ILE A 997 1.300 18.697 -1.986 1.00 0.00 C ATOM 1172 CG1 ILE A 997 1.842 19.394 -0.725 1.00 0.00 C ATOM 1173 CG2 ILE A 997 -0.157 18.300 -1.780 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.139 20.688 -0.366 1.00 0.00 C ATOM 0 H ILE A 997 1.734 16.538 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 997 1.901 17.158 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 997 1.376 19.400 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 997 1.761 18.707 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 997 2.903 19.600 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -0.745 19.186 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -0.543 17.845 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -0.227 17.585 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 997 1.587 21.108 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 997 1.242 21.398 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 997 0.082 20.490 -0.187 1.00 0.00 H new ATOM 1186 N THR A 998 4.243 18.257 -3.196 1.00 0.00 N ATOM 1187 CA THR A 998 5.605 18.708 -3.076 1.00 0.00 C ATOM 1188 C THR A 998 5.704 20.042 -3.803 1.00 0.00 C ATOM 1189 O THR A 998 5.107 20.223 -4.868 1.00 0.00 O ATOM 1190 CB THR A 998 6.641 17.671 -3.610 1.00 0.00 C ATOM 1191 OG1 THR A 998 7.980 18.076 -3.272 1.00 0.00 O ATOM 1192 CG2 THR A 998 6.569 17.493 -5.119 1.00 0.00 C ATOM 0 H THR A 998 3.829 18.382 -4.120 1.00 0.00 H new ATOM 0 HA THR A 998 5.858 18.827 -2.022 1.00 0.00 H new ATOM 0 HB THR A 998 6.390 16.722 -3.135 1.00 0.00 H new ATOM 0 HG1 THR A 998 8.171 17.832 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.312 16.760 -5.435 1.00 0.00 H new ATOM 0 HG22 THR A 998 5.574 17.144 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 998 6.769 18.446 -5.608 1.00 0.00 H new ATOM 1200 N ILE A 999 6.367 21.003 -3.202 1.00 0.00 N ATOM 1201 CA ILE A 999 6.506 22.303 -3.826 1.00 0.00 C ATOM 1202 C ILE A 999 7.980 22.570 -4.085 1.00 0.00 C ATOM 1203 O ILE A 999 8.742 22.797 -3.141 1.00 0.00 O ATOM 1204 CB ILE A 999 5.903 23.443 -2.961 1.00 0.00 C ATOM 1205 CG1 ILE A 999 4.427 23.154 -2.645 1.00 0.00 C ATOM 1206 CG2 ILE A 999 6.039 24.781 -3.682 1.00 0.00 C ATOM 1207 CD1 ILE A 999 3.765 24.182 -1.744 1.00 0.00 C ATOM 0 H ILE A 999 6.816 20.913 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 999 5.950 22.289 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 999 6.454 23.495 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 999 3.872 23.098 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 999 4.354 22.174 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.612 25.572 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 999 7.093 24.991 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 999 5.509 24.737 -4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 999 2.726 23.900 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 999 4.292 24.223 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 999 3.802 25.161 -2.221 1.00 0.00 H new ATOM 1219 N PRO A1000 8.407 22.488 -5.357 1.00 0.00 N ATOM 1220 CA PRO A1000 9.802 22.709 -5.736 1.00 0.00 C ATOM 1221 C PRO A1000 10.291 24.127 -5.411 1.00 0.00 C ATOM 1222 O PRO A1000 9.578 25.115 -5.645 1.00 0.00 O ATOM 1223 CB PRO A1000 9.825 22.448 -7.247 1.00 0.00 C ATOM 1224 CG PRO A1000 8.409 22.570 -7.691 1.00 0.00 C ATOM 1225 CD PRO A1000 7.564 22.157 -6.521 1.00 0.00 C ATOM 0 HA PRO A1000 10.474 22.056 -5.179 1.00 0.00 H new ATOM 0 HB2 PRO A1000 10.461 23.169 -7.761 1.00 0.00 H new ATOM 0 HB3 PRO A1000 10.222 21.457 -7.469 1.00 0.00 H new ATOM 0 HG2 PRO A1000 8.183 23.593 -7.992 1.00 0.00 H new ATOM 0 HG3 PRO A1000 8.216 21.933 -8.554 1.00 0.00 H new ATOM 0 HD2 PRO A1000 6.618 22.697 -6.498 1.00 0.00 H new ATOM 0 HD3 PRO A1000 7.324 21.094 -6.554 1.00 0.00 H new ATOM 1233 N PRO A1001 11.520 24.237 -4.883 1.00 0.00 N ATOM 1234 CA PRO A1001 12.369 23.090 -4.626 1.00 0.00 C ATOM 1235 C PRO A1001 12.064 22.401 -3.316 1.00 0.00 C ATOM 1236 O PRO A1001 11.781 23.017 -2.282 1.00 0.00 O ATOM 1237 CB PRO A1001 13.781 23.641 -4.594 1.00 0.00 C ATOM 1238 CG PRO A1001 13.651 25.116 -4.644 1.00 0.00 C ATOM 1239 CD PRO A1001 12.194 25.474 -4.505 1.00 0.00 C ATOM 0 HA PRO A1001 12.213 22.334 -5.395 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.301 23.327 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A1001 14.362 23.273 -5.440 1.00 0.00 H new ATOM 0 HG2 PRO A1001 14.231 25.574 -3.843 1.00 0.00 H new ATOM 0 HG3 PRO A1001 14.047 25.499 -5.584 1.00 0.00 H new ATOM 0 HD2 PRO A1001 11.947 25.775 -3.487 1.00 0.00 H new ATOM 0 HD3 PRO A1001 11.917 26.302 -5.158 1.00 0.00 H new ATOM 1247 N ASP A1002 12.158 21.114 -3.397 1.00 0.00 N ATOM 1248 CA ASP A1002 11.895 20.214 -2.291 1.00 0.00 C ATOM 1249 C ASP A1002 12.597 18.894 -2.562 1.00 0.00 C ATOM 1250 O ASP A1002 13.815 18.821 -2.381 1.00 0.00 O ATOM 1251 CB ASP A1002 10.382 20.050 -2.099 1.00 0.00 C ATOM 1252 CG ASP A1002 10.019 19.201 -0.911 1.00 0.00 C ATOM 1253 OD1 ASP A1002 10.070 19.703 0.236 1.00 0.00 O ATOM 1254 OD2 ASP A1002 9.675 18.028 -1.113 1.00 0.00 O ATOM 0 H ASP A1002 12.427 20.632 -4.255 1.00 0.00 H new ATOM 0 HA ASP A1002 12.287 20.620 -1.358 1.00 0.00 H new ATOM 0 HB2 ASP A1002 9.929 21.035 -1.985 1.00 0.00 H new ATOM 0 HB3 ASP A1002 9.955 19.605 -2.998 1.00 0.00 H new ATOM 1259 N HIS A1003 11.842 17.913 -3.068 1.00 0.00 N ATOM 1260 CA HIS A1003 12.355 16.595 -3.487 1.00 0.00 C ATOM 1261 C HIS A1003 11.256 15.549 -3.659 1.00 0.00 C ATOM 1262 O HIS A1003 11.214 14.873 -4.687 1.00 0.00 O ATOM 1263 CB HIS A1003 13.501 16.003 -2.604 1.00 0.00 C ATOM 1264 CG HIS A1003 13.270 15.880 -1.115 1.00 0.00 C ATOM 1265 ND1 HIS A1003 12.380 15.157 -0.407 1.00 0.00 N flip ATOM 1266 CD2 HIS A1003 14.085 16.481 -0.177 1.00 0.00 C flip ATOM 1267 CE1 HIS A1003 12.673 15.317 0.922 1.00 0.00 C flip ATOM 1268 NE2 HIS A1003 13.703 16.120 1.033 1.00 0.00 N flip ATOM 0 H HIS A1003 10.836 18.011 -3.202 1.00 0.00 H new ATOM 0 HA HIS A1003 12.796 16.820 -4.458 1.00 0.00 H new ATOM 0 HB2 HIS A1003 13.736 15.010 -2.987 1.00 0.00 H new ATOM 0 HB3 HIS A1003 14.387 16.620 -2.753 1.00 0.00 H new ATOM 0 HD2 HIS A1003 14.908 17.144 -0.399 1.00 0.00 H new ATOM 0 HE1 HIS A1003 12.143 14.857 1.743 1.00 0.00 H new ATOM 0 HE2 HIS A1003 14.136 16.416 1.908 1.00 0.00 H new ATOM 1277 N LYS A1004 10.330 15.453 -2.710 1.00 0.00 N ATOM 1278 CA LYS A1004 9.355 14.359 -2.644 1.00 0.00 C ATOM 1279 C LYS A1004 8.282 14.814 -1.684 1.00 0.00 C ATOM 1280 O LYS A1004 8.627 15.489 -0.716 1.00 0.00 O ATOM 1281 CB LYS A1004 9.945 13.049 -2.086 1.00 0.00 C ATOM 1282 CG LYS A1004 10.764 12.201 -3.050 1.00 0.00 C ATOM 1283 CD LYS A1004 11.249 10.946 -2.340 1.00 0.00 C ATOM 1284 CE LYS A1004 11.898 9.940 -3.284 1.00 0.00 C ATOM 1285 NZ LYS A1004 13.086 10.480 -4.001 1.00 0.00 N ATOM 0 H LYS A1004 10.231 16.135 -1.958 1.00 0.00 H new ATOM 0 HA LYS A1004 8.998 14.150 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A1004 10.575 13.297 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A1004 9.124 12.439 -1.710 1.00 0.00 H new ATOM 0 HG2 LYS A1004 10.160 11.931 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS A1004 11.615 12.773 -3.421 1.00 0.00 H new ATOM 0 HD2 LYS A1004 11.966 11.226 -1.568 1.00 0.00 H new ATOM 0 HD3 LYS A1004 10.407 10.472 -1.836 1.00 0.00 H new ATOM 0 HE2 LYS A1004 12.196 9.059 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A1004 11.160 9.612 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 13.488 9.741 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 12.800 11.293 -4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 13.801 10.784 -3.309 1.00 0.00 H new ATOM 1299 N PRO A1005 6.994 14.529 -1.922 1.00 0.00 N ATOM 1300 CA PRO A1005 5.955 14.840 -0.942 1.00 0.00 C ATOM 1301 C PRO A1005 6.322 14.321 0.440 1.00 0.00 C ATOM 1302 O PRO A1005 6.557 13.127 0.644 1.00 0.00 O ATOM 1303 CB PRO A1005 4.761 14.080 -1.484 1.00 0.00 C ATOM 1304 CG PRO A1005 4.953 14.120 -2.956 1.00 0.00 C ATOM 1305 CD PRO A1005 6.434 13.997 -3.170 1.00 0.00 C ATOM 0 HA PRO A1005 5.788 15.910 -0.821 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.736 13.056 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.822 14.549 -1.190 1.00 0.00 H new ATOM 0 HG2 PRO A1005 4.417 13.306 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.571 15.050 -3.377 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.733 12.962 -3.337 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.765 14.569 -4.037 1.00 0.00 H new ATOM 1313 N LYS A1006 6.364 15.239 1.378 1.00 0.00 N ATOM 1314 CA LYS A1006 6.792 14.963 2.743 1.00 0.00 C ATOM 1315 C LYS A1006 5.611 14.972 3.688 1.00 0.00 C ATOM 1316 O LYS A1006 5.762 14.852 4.907 1.00 0.00 O ATOM 1317 CB LYS A1006 7.786 16.053 3.145 1.00 0.00 C ATOM 1318 CG LYS A1006 7.211 17.464 3.029 1.00 0.00 C ATOM 1319 CD LYS A1006 8.296 18.517 3.018 1.00 0.00 C ATOM 1320 CE LYS A1006 7.726 19.868 2.624 1.00 0.00 C ATOM 1321 NZ LYS A1006 8.789 20.864 2.370 1.00 0.00 N ATOM 0 H LYS A1006 6.100 16.212 1.220 1.00 0.00 H new ATOM 0 HA LYS A1006 7.253 13.977 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A1006 8.107 15.882 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A1006 8.673 15.976 2.517 1.00 0.00 H new ATOM 0 HG2 LYS A1006 6.621 17.541 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A1006 6.534 17.650 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A1006 8.755 18.584 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A1006 9.082 18.230 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A1006 7.113 19.756 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A1006 7.071 20.230 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 8.370 21.722 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 9.261 21.104 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 9.485 20.467 1.707 1.00 0.00 H new ATOM 1335 N SER A1007 4.446 15.105 3.122 1.00 0.00 N ATOM 1336 CA SER A1007 3.239 15.209 3.880 1.00 0.00 C ATOM 1337 C SER A1007 2.175 14.437 3.139 1.00 0.00 C ATOM 1338 O SER A1007 2.184 14.436 1.911 1.00 0.00 O ATOM 1339 CB SER A1007 2.861 16.689 4.043 1.00 0.00 C ATOM 1340 OG SER A1007 1.672 16.864 4.807 1.00 0.00 O ATOM 0 H SER A1007 4.309 15.144 2.112 1.00 0.00 H new ATOM 0 HA SER A1007 3.356 14.794 4.881 1.00 0.00 H new ATOM 0 HB2 SER A1007 3.681 17.220 4.526 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.727 17.138 3.059 1.00 0.00 H new ATOM 0 HG SER A1007 1.472 17.820 4.886 1.00 0.00 H new ATOM 1346 N TRP A1008 1.372 13.700 3.897 1.00 0.00 N ATOM 1347 CA TRP A1008 0.242 12.933 3.393 1.00 0.00 C ATOM 1348 C TRP A1008 -0.918 13.190 4.347 1.00 0.00 C ATOM 1349 O TRP A1008 -0.731 13.213 5.567 1.00 0.00 O ATOM 1350 CB TRP A1008 0.591 11.437 3.286 1.00 0.00 C ATOM 1351 CG TRP A1008 1.859 11.227 2.536 1.00 0.00 C ATOM 1352 CD1 TRP A1008 3.105 11.195 3.064 1.00 0.00 C ATOM 1353 CD2 TRP A1008 2.011 11.065 1.117 1.00 0.00 C ATOM 1354 NE1 TRP A1008 4.023 11.072 2.070 1.00 0.00 N ATOM 1355 CE2 TRP A1008 3.388 10.970 0.865 1.00 0.00 C ATOM 1356 CE3 TRP A1008 1.127 10.997 0.038 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.906 10.816 -0.423 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.640 10.839 -1.236 1.00 0.00 C ATOM 1359 CH2 TRP A1008 3.017 10.751 -1.457 1.00 0.00 C ATOM 0 H TRP A1008 1.493 13.618 4.906 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.028 13.242 2.383 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.683 11.011 4.285 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.221 10.907 2.787 1.00 0.00 H new ATOM 0 HD1 TRP A1008 3.335 11.258 4.117 1.00 0.00 H new ATOM 0 HE1 TRP A1008 5.034 11.058 2.204 1.00 0.00 H new ATOM 0 HE3 TRP A1008 0.061 11.067 0.196 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.970 10.751 -0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.964 10.783 -2.076 1.00 0.00 H new ATOM 0 HH2 TRP A1008 3.385 10.629 -2.465 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.091 13.430 3.788 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.281 13.857 4.530 1.00 0.00 C ATOM 1372 C VAL A1009 -4.491 13.174 3.872 1.00 0.00 C ATOM 1373 O VAL A1009 -4.356 12.651 2.778 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.413 15.425 4.500 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -4.695 15.931 5.140 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -2.227 16.095 5.187 1.00 0.00 C ATOM 0 H VAL A1009 -2.254 13.334 2.786 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.216 13.570 5.579 1.00 0.00 H new ATOM 0 HB VAL A1009 -3.434 15.691 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -4.724 17.019 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -5.554 15.519 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -4.729 15.618 6.184 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.349 17.178 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -2.178 15.771 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -1.305 15.815 4.677 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.649 13.166 4.496 1.00 0.00 N ATOM 1387 CA ALA A1010 -6.796 12.440 3.957 1.00 0.00 C ATOM 1388 C ALA A1010 -7.667 13.259 2.986 1.00 0.00 C ATOM 1389 O ALA A1010 -8.753 12.808 2.619 1.00 0.00 O ATOM 1390 CB ALA A1010 -7.668 11.966 5.106 1.00 0.00 C ATOM 0 H ALA A1010 -5.829 13.650 5.375 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.385 11.609 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -8.527 11.423 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.089 11.308 5.754 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.015 12.826 5.678 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.228 14.433 2.562 1.00 0.00 N ATOM 1397 CA ALA A1011 -8.082 15.261 1.714 1.00 0.00 C ATOM 1398 C ALA A1011 -7.439 15.600 0.375 1.00 0.00 C ATOM 1399 O ALA A1011 -6.272 16.008 0.315 1.00 0.00 O ATOM 1400 CB ALA A1011 -8.466 16.533 2.447 1.00 0.00 C ATOM 0 H ALA A1011 -6.314 14.829 2.780 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.975 14.676 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -9.103 17.144 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -9.006 16.278 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -7.566 17.092 2.702 1.00 0.00 H new ATOM 1406 N GLU A1012 -8.188 15.396 -0.700 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.753 15.763 -2.032 1.00 0.00 C ATOM 1408 C GLU A1012 -7.952 17.261 -2.220 1.00 0.00 C ATOM 1409 O GLU A1012 -9.071 17.776 -2.229 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.493 14.935 -3.099 1.00 0.00 C ATOM 1411 CG GLU A1012 -8.075 15.216 -4.545 1.00 0.00 C ATOM 1412 CD GLU A1012 -6.610 15.022 -4.817 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -6.068 13.927 -4.556 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -5.986 15.970 -5.313 1.00 0.00 O ATOM 0 H GLU A1012 -9.115 14.971 -0.668 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.693 15.539 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.334 13.877 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.563 15.121 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -8.644 14.565 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -8.346 16.242 -4.796 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.834 17.936 -2.331 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.766 19.380 -2.422 1.00 0.00 C ATOM 1423 C LYS A1013 -6.005 19.801 -3.653 1.00 0.00 C ATOM 1424 O LYS A1013 -5.176 19.047 -4.157 1.00 0.00 O ATOM 1425 CB LYS A1013 -6.074 19.959 -1.199 1.00 0.00 C ATOM 1426 CG LYS A1013 -6.990 20.186 -0.029 1.00 0.00 C ATOM 1427 CD LYS A1013 -6.225 20.768 1.148 1.00 0.00 C ATOM 1428 CE LYS A1013 -7.147 21.351 2.214 1.00 0.00 C ATOM 1429 NZ LYS A1013 -8.043 20.341 2.830 1.00 0.00 N ATOM 0 H LYS A1013 -5.919 17.486 -2.362 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.787 19.756 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -5.273 19.286 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -5.608 20.906 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -7.794 20.863 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -7.455 19.244 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -5.605 19.990 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -5.551 21.546 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -6.542 21.814 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -7.752 22.141 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -8.643 20.799 3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -8.643 19.915 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -7.471 19.599 3.282 1.00 0.00 H new ATOM 1443 N MET A1014 -6.240 21.022 -4.068 1.00 0.00 N ATOM 1444 CA MET A1014 -5.638 21.606 -5.253 1.00 0.00 C ATOM 1445 C MET A1014 -4.134 21.522 -5.250 1.00 0.00 C ATOM 1446 O MET A1014 -3.553 21.187 -6.283 1.00 0.00 O ATOM 1447 CB MET A1014 -6.097 23.030 -5.390 1.00 0.00 C ATOM 1448 CG MET A1014 -5.538 23.788 -6.586 1.00 0.00 C ATOM 1449 SD MET A1014 -6.223 25.452 -6.708 1.00 0.00 S ATOM 1450 CE MET A1014 -5.830 26.096 -5.083 1.00 0.00 C ATOM 0 H MET A1014 -6.872 21.658 -3.581 1.00 0.00 H new ATOM 0 HA MET A1014 -5.968 21.026 -6.115 1.00 0.00 H new ATOM 0 HB2 MET A1014 -7.185 23.038 -5.454 1.00 0.00 H new ATOM 0 HB3 MET A1014 -5.827 23.569 -4.482 1.00 0.00 H new ATOM 0 HG2 MET A1014 -4.453 23.847 -6.503 1.00 0.00 H new ATOM 0 HG3 MET A1014 -5.758 23.237 -7.500 1.00 0.00 H new ATOM 0 HE1 MET A1014 -5.646 27.168 -5.151 1.00 0.00 H new ATOM 0 HE2 MET A1014 -6.666 25.913 -4.407 1.00 0.00 H new ATOM 0 HE3 MET A1014 -4.939 25.599 -4.700 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.494 21.818 -4.114 1.00 0.00 N ATOM 1461 CA TYR A1015 -2.027 21.682 -3.965 1.00 0.00 C ATOM 1462 C TYR A1015 -1.450 20.340 -4.415 1.00 0.00 C ATOM 1463 O TYR A1015 -0.227 20.191 -4.483 1.00 0.00 O ATOM 1464 CB TYR A1015 -1.635 21.880 -2.503 1.00 0.00 C ATOM 1465 CG TYR A1015 -2.196 23.126 -1.873 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -1.550 24.348 -1.980 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -3.383 23.070 -1.168 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -2.080 25.483 -1.397 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -3.915 24.191 -0.587 1.00 0.00 C ATOM 1470 CZ TYR A1015 -3.266 25.395 -0.701 1.00 0.00 C ATOM 1471 OH TYR A1015 -3.808 26.510 -0.098 1.00 0.00 O ATOM 0 H TYR A1015 -3.966 22.156 -3.275 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.612 22.447 -4.621 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -1.969 21.015 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -0.548 21.909 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -0.621 24.414 -2.526 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -3.900 22.127 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -1.569 26.431 -1.486 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -4.844 24.127 -0.040 1.00 0.00 H new ATOM 0 HH TYR A1015 -4.646 26.266 0.348 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.298 19.357 -4.674 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.814 18.069 -5.120 1.00 0.00 C ATOM 1483 C HIS A1016 -1.021 18.175 -6.402 1.00 0.00 C ATOM 1484 O HIS A1016 -1.287 18.991 -7.288 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.943 17.102 -5.298 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.320 16.328 -4.101 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -4.123 16.805 -3.120 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -3.084 15.054 -3.808 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -4.381 15.838 -2.267 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -3.765 14.745 -2.663 1.00 0.00 N ATOM 0 H HIS A1016 -3.311 19.428 -4.583 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.148 17.697 -4.342 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.818 17.654 -5.641 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.676 16.403 -6.090 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -4.472 17.761 -3.054 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -2.462 14.379 -4.376 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -4.998 15.927 -1.385 1.00 0.00 H new ATOM 1499 N THR A1017 -0.182 17.206 -6.510 1.00 0.00 N ATOM 1500 CA THR A1017 0.886 17.109 -7.476 1.00 0.00 C ATOM 1501 C THR A1017 1.254 15.643 -7.536 1.00 0.00 C ATOM 1502 O THR A1017 1.618 15.087 -8.560 1.00 0.00 O ATOM 1503 CB THR A1017 2.105 17.944 -7.016 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.167 17.955 -5.576 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.036 19.371 -7.534 1.00 0.00 C ATOM 0 H THR A1017 -0.215 16.398 -5.888 1.00 0.00 H new ATOM 0 HA THR A1017 0.580 17.490 -8.450 1.00 0.00 H new ATOM 0 HB THR A1017 3.003 17.481 -7.426 1.00 0.00 H new ATOM 0 HG1 THR A1017 2.267 18.877 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A1017 2.909 19.926 -7.190 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.018 19.362 -8.624 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.131 19.850 -7.160 1.00 0.00 H new ATOM 1513 N HIS A1018 1.141 15.038 -6.382 1.00 0.00 N ATOM 1514 CA HIS A1018 1.334 13.615 -6.225 1.00 0.00 C ATOM 1515 C HIS A1018 0.288 13.096 -5.255 1.00 0.00 C ATOM 1516 O HIS A1018 -0.270 13.865 -4.462 1.00 0.00 O ATOM 1517 CB HIS A1018 2.743 13.334 -5.692 1.00 0.00 C ATOM 1518 CG HIS A1018 3.622 12.537 -6.606 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.678 13.080 -7.308 1.00 0.00 N ATOM 1520 CD2 HIS A1018 3.652 11.211 -6.857 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.321 12.117 -7.942 1.00 0.00 C ATOM 1522 NE2 HIS A1018 4.719 10.973 -7.683 1.00 0.00 N ATOM 0 H HIS A1018 0.910 15.522 -5.514 1.00 0.00 H new ATOM 0 HA HIS A1018 1.228 13.112 -7.186 1.00 0.00 H new ATOM 0 HB2 HIS A1018 3.232 14.286 -5.482 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.657 12.804 -4.743 1.00 0.00 H new ATOM 0 HD2 HIS A1018 2.961 10.473 -6.476 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.193 12.245 -8.567 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.001 10.060 -8.039 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.071 11.844 -5.377 1.00 0.00 N ATOM 1532 CA ARG A1019 -0.959 11.224 -4.422 1.00 0.00 C ATOM 1533 C ARG A1019 -0.789 9.745 -4.536 1.00 0.00 C ATOM 1534 O ARG A1019 -0.387 9.262 -5.601 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.419 11.576 -4.682 1.00 0.00 C ATOM 1536 CG ARG A1019 -2.978 11.031 -5.979 1.00 0.00 C ATOM 1537 CD ARG A1019 -4.413 11.447 -6.101 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.063 10.991 -7.320 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.314 11.296 -7.649 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.025 12.146 -6.905 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -6.834 10.767 -8.741 1.00 0.00 N ATOM 0 H ARG A1019 0.238 11.230 -6.131 1.00 0.00 H new ATOM 0 HA ARG A1019 -0.708 11.586 -3.425 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -3.022 11.200 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.522 12.661 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -2.403 11.407 -6.825 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -2.898 9.944 -5.997 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -4.965 11.064 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -4.470 12.535 -6.057 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.528 10.403 -7.959 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -6.609 12.568 -6.075 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -7.984 12.373 -7.166 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -6.277 10.135 -9.317 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -7.793 10.990 -9.009 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.039 9.030 -3.466 1.00 0.00 N ATOM 1556 CA ARG A1020 -0.936 7.594 -3.562 1.00 0.00 C ATOM 1557 C ARG A1020 -1.839 6.945 -2.576 1.00 0.00 C ATOM 1558 O ARG A1020 -2.078 7.471 -1.511 1.00 0.00 O ATOM 1559 CB ARG A1020 0.511 7.109 -3.366 1.00 0.00 C ATOM 1560 CG ARG A1020 1.151 7.584 -2.063 1.00 0.00 C ATOM 1561 CD ARG A1020 2.587 7.095 -1.898 1.00 0.00 C ATOM 1562 NE ARG A1020 3.435 7.505 -3.017 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.738 7.798 -2.955 1.00 0.00 C ATOM 1564 NH1 ARG A1020 5.397 7.781 -1.798 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.384 8.115 -4.072 1.00 0.00 N ATOM 0 H ARG A1020 -1.305 9.399 -2.553 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.243 7.308 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.525 6.019 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A1020 1.116 7.454 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A1020 1.137 8.673 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A1020 0.554 7.234 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.999 7.486 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A1020 2.593 6.008 -1.817 1.00 0.00 H new ATOM 0 HE ARG A1020 2.990 7.574 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A1020 4.908 7.541 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A1020 6.391 8.008 -1.774 1.00 0.00 H new ATOM 0 HH21 ARG A1020 4.886 8.133 -4.962 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.378 8.341 -4.040 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.316 5.802 -2.947 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.240 5.086 -2.110 1.00 0.00 C ATOM 1581 C ARG A1021 -2.721 3.709 -1.839 1.00 0.00 C ATOM 1582 O ARG A1021 -2.165 3.061 -2.728 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.614 5.033 -2.754 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.618 4.471 -4.154 1.00 0.00 C ATOM 1585 CD ARG A1021 -6.002 4.524 -4.742 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.965 4.178 -6.148 1.00 0.00 N ATOM 1587 CZ ARG A1021 -6.990 3.617 -6.813 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -8.099 3.282 -6.159 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -6.916 3.408 -8.121 1.00 0.00 N ATOM 0 H ARG A1021 -2.084 5.338 -3.825 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.337 5.612 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.273 4.429 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -5.031 6.040 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.929 5.037 -4.781 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -4.263 3.441 -4.139 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.658 3.836 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.419 5.523 -4.617 1.00 0.00 H new ATOM 0 HE ARG A1021 -5.108 4.372 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -8.170 3.451 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.878 2.856 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -6.075 3.674 -8.633 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -7.700 2.982 -8.614 1.00 0.00 H new ATOM 1603 N ARG A1022 -2.907 3.261 -0.625 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.440 1.974 -0.241 1.00 0.00 C ATOM 1605 C ARG A1022 -3.418 0.918 -0.702 1.00 0.00 C ATOM 1606 O ARG A1022 -4.605 0.989 -0.390 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.290 1.881 1.268 1.00 0.00 C ATOM 1608 CG ARG A1022 -1.946 0.482 1.728 1.00 0.00 C ATOM 1609 CD ARG A1022 -2.006 0.361 3.228 1.00 0.00 C ATOM 1610 NE ARG A1022 -0.971 1.125 3.885 1.00 0.00 N ATOM 1611 CZ ARG A1022 -0.914 1.279 5.215 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -1.926 0.854 5.966 1.00 0.00 N ATOM 1613 NH2 ARG A1022 0.110 1.894 5.796 1.00 0.00 N ATOM 0 H ARG A1022 -3.383 3.780 0.113 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.467 1.813 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.512 2.570 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.218 2.199 1.743 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -2.637 -0.230 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -0.947 0.220 1.381 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -2.981 0.700 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -1.913 -0.688 3.509 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.252 1.567 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -2.736 0.415 5.529 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -1.892 0.967 6.979 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.874 2.260 5.228 1.00 0.00 H new ATOM 0 HH22 ARG A1022 0.132 2.000 6.810 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.934 -0.016 -1.473 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.690 -1.184 -1.769 1.00 0.00 C ATOM 1629 C LEU A1023 -3.217 -2.209 -0.777 1.00 0.00 C ATOM 1630 O LEU A1023 -2.016 -2.414 -0.603 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.496 -1.671 -3.202 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.845 -0.663 -4.299 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.662 -1.305 -5.656 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.274 -0.155 -4.147 1.00 0.00 C ATOM 0 H LEU A1023 -2.011 0.017 -1.907 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.759 -0.986 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.455 -1.970 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -4.104 -2.564 -3.348 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.175 0.192 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.911 -0.585 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.625 -1.621 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.317 -2.172 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.493 0.559 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -5.967 -0.994 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.386 0.333 -3.179 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.151 -2.775 -0.093 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.869 -3.694 0.984 1.00 0.00 C ATOM 1648 C VAL A1024 -4.166 -5.098 0.591 1.00 0.00 C ATOM 1649 O VAL A1024 -5.141 -5.378 -0.117 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.640 -3.402 2.295 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -4.013 -2.260 3.050 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.109 -3.108 2.026 1.00 0.00 C ATOM 0 H VAL A1024 -5.145 -2.619 -0.258 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.806 -3.553 1.179 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.580 -4.300 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.575 -2.077 3.966 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -2.983 -2.512 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.027 -1.363 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.619 -2.908 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.193 -2.237 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.569 -3.968 1.540 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.295 -5.962 1.009 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.535 -7.379 0.876 1.00 0.00 C ATOM 1664 C ARG A1025 -2.976 -8.060 2.102 1.00 0.00 C ATOM 1665 O ARG A1025 -1.771 -8.224 2.217 1.00 0.00 O ATOM 1666 CB ARG A1025 -2.847 -7.935 -0.357 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.315 -9.311 -0.779 1.00 0.00 C ATOM 1668 CD ARG A1025 -4.651 -9.265 -1.486 1.00 0.00 C ATOM 1669 NE ARG A1025 -5.089 -10.605 -1.888 1.00 0.00 N ATOM 1670 CZ ARG A1025 -4.699 -11.252 -2.992 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -3.895 -10.661 -3.866 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -5.140 -12.485 -3.214 1.00 0.00 N ATOM 0 H ARG A1025 -2.407 -5.718 1.447 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.606 -7.557 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -3.003 -7.244 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -1.774 -7.973 -0.171 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -2.572 -9.760 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -3.392 -9.952 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.397 -8.818 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -4.577 -8.625 -2.366 1.00 0.00 H new ATOM 0 HE ARG A1025 -5.747 -11.085 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -3.571 -9.709 -3.698 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -3.601 -11.159 -4.706 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -5.770 -12.929 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -4.849 -12.987 -4.053 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.830 -8.414 3.034 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.367 -9.056 4.245 1.00 0.00 C ATOM 1688 C LYS A1026 -2.925 -10.474 3.877 1.00 0.00 C ATOM 1689 O LYS A1026 -3.482 -11.086 2.951 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.482 -8.986 5.318 1.00 0.00 C ATOM 1691 CG LYS A1026 -4.063 -9.335 6.738 1.00 0.00 C ATOM 1692 CD LYS A1026 -4.051 -10.824 6.985 1.00 0.00 C ATOM 1693 CE LYS A1026 -5.211 -11.279 7.885 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.565 -10.901 7.380 1.00 0.00 N ATOM 0 H LYS A1026 -4.838 -8.271 2.980 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.506 -8.554 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.895 -7.977 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.287 -9.659 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -3.070 -8.929 6.931 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.744 -8.858 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -4.108 -11.348 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.105 -11.105 7.447 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -5.167 -12.362 7.995 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -5.074 -10.852 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -7.294 -11.329 7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -6.665 -9.866 7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.680 -11.244 6.405 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.923 -10.996 4.564 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.334 -12.263 4.192 1.00 0.00 C ATOM 1710 C ARG A1027 -1.029 -13.008 5.460 1.00 0.00 C ATOM 1711 O ARG A1027 -0.802 -12.391 6.471 1.00 0.00 O ATOM 1712 CB ARG A1027 -0.073 -12.045 3.338 1.00 0.00 C ATOM 1713 CG ARG A1027 1.103 -11.387 4.048 1.00 0.00 C ATOM 1714 CD ARG A1027 2.167 -10.935 3.060 1.00 0.00 C ATOM 1715 NE ARG A1027 2.542 -11.979 2.113 1.00 0.00 N ATOM 1716 CZ ARG A1027 3.183 -11.733 0.964 1.00 0.00 C ATOM 1717 NH1 ARG A1027 3.645 -10.522 0.687 1.00 0.00 N ATOM 1718 NH2 ARG A1027 3.351 -12.702 0.075 1.00 0.00 N ATOM 0 H ARG A1027 -1.502 -10.558 5.383 1.00 0.00 H new ATOM 0 HA ARG A1027 -2.022 -12.847 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.254 -13.011 2.953 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.342 -11.433 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.750 -10.530 4.622 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.539 -12.089 4.759 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.801 -10.068 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A1027 3.052 -10.614 3.609 1.00 0.00 H new ATOM 0 HE ARG A1027 2.304 -12.945 2.338 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.514 -9.761 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A1027 4.131 -10.351 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A1027 2.991 -13.637 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A1027 3.840 -12.512 -0.800 1.00 0.00 H new ATOM 1732 N LYS A1028 -1.042 -14.306 5.403 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.878 -15.148 6.561 1.00 0.00 C ATOM 1734 C LYS A1028 0.027 -16.300 6.199 1.00 0.00 C ATOM 1735 O LYS A1028 -0.089 -16.841 5.138 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.245 -15.649 6.982 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.251 -16.774 7.980 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.664 -17.278 8.160 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.561 -16.258 8.845 1.00 0.00 C ATOM 1740 NZ LYS A1028 -6.000 -16.618 8.743 1.00 0.00 N ATOM 0 H LYS A1028 -1.169 -14.825 4.534 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.429 -14.598 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -2.804 -14.813 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.782 -15.976 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -1.606 -17.583 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -1.851 -16.430 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.083 -17.531 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.647 -18.196 8.748 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -4.282 -16.178 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.401 -15.277 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.571 -15.914 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.283 -16.636 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -6.154 -17.557 9.163 1.00 0.00 H new ATOM 1754 N LYS A1029 0.900 -16.671 7.099 1.00 0.00 N ATOM 1755 CA LYS A1029 1.888 -17.725 6.865 1.00 0.00 C ATOM 1756 C LYS A1029 1.299 -19.068 7.252 1.00 0.00 C ATOM 1757 O LYS A1029 1.956 -20.104 7.196 1.00 0.00 O ATOM 1758 CB LYS A1029 3.089 -17.456 7.758 1.00 0.00 C ATOM 1759 CG LYS A1029 4.323 -18.246 7.385 1.00 0.00 C ATOM 1760 CD LYS A1029 5.488 -17.931 8.298 1.00 0.00 C ATOM 1761 CE LYS A1029 5.622 -16.443 8.544 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.784 -16.138 9.405 1.00 0.00 N ATOM 0 H LYS A1029 0.956 -16.254 8.028 1.00 0.00 H new ATOM 0 HA LYS A1029 2.175 -17.737 5.814 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.326 -16.393 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.821 -17.686 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A1029 4.101 -19.312 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.599 -18.025 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A1029 5.354 -18.446 9.249 1.00 0.00 H new ATOM 0 HD3 LYS A1029 6.409 -18.311 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.728 -15.924 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.712 -16.067 9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 6.846 -15.110 9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.670 -16.614 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.654 -16.475 8.946 1.00 0.00 H new ATOM 1776 N ASP A1030 0.099 -18.970 7.786 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.650 -20.089 8.373 1.00 0.00 C ATOM 1778 C ASP A1030 -0.146 -20.241 9.775 1.00 0.00 C ATOM 1779 O ASP A1030 -0.814 -19.880 10.733 1.00 0.00 O ATOM 1780 CB ASP A1030 -0.521 -21.407 7.572 1.00 0.00 C ATOM 1781 CG ASP A1030 -1.017 -22.633 8.315 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -0.252 -23.195 9.135 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -2.152 -23.080 8.060 1.00 0.00 O ATOM 0 H ASP A1030 -0.408 -18.086 7.830 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.717 -19.869 8.351 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -1.078 -21.310 6.640 1.00 0.00 H new ATOM 0 HB3 ASP A1030 0.525 -21.556 7.304 1.00 0.00 H new ATOM 1788 N LEU A1031 1.078 -20.669 9.790 1.00 0.00 N ATOM 1789 CA LEU A1031 1.963 -20.829 10.941 1.00 0.00 C ATOM 1790 C LEU A1031 2.923 -21.976 10.659 1.00 0.00 C ATOM 1791 O LEU A1031 4.066 -21.962 11.104 1.00 0.00 O ATOM 1792 CB LEU A1031 1.248 -21.133 12.273 1.00 0.00 C ATOM 1793 CG LEU A1031 2.176 -21.232 13.480 1.00 0.00 C ATOM 1794 CD1 LEU A1031 2.722 -19.865 13.856 1.00 0.00 C ATOM 1795 CD2 LEU A1031 1.475 -21.887 14.654 1.00 0.00 C ATOM 0 H LEU A1031 1.542 -20.945 8.925 1.00 0.00 H new ATOM 0 HA LEU A1031 2.464 -19.869 11.066 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.510 -20.353 12.461 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.702 -22.071 12.172 1.00 0.00 H new ATOM 0 HG LEU A1031 3.020 -21.864 13.206 1.00 0.00 H new ATOM 0 HD11 LEU A1031 3.381 -19.961 14.719 1.00 0.00 H new ATOM 0 HD12 LEU A1031 3.282 -19.453 13.016 1.00 0.00 H new ATOM 0 HD13 LEU A1031 1.896 -19.198 14.103 1.00 0.00 H new ATOM 0 HD21 LEU A1031 2.159 -21.945 15.500 1.00 0.00 H new ATOM 0 HD22 LEU A1031 0.602 -21.296 14.933 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.158 -22.892 14.374 1.00 0.00 H new ATOM 1807 N THR A1032 2.491 -22.943 9.862 1.00 0.00 N ATOM 1808 CA THR A1032 3.266 -24.157 9.703 1.00 0.00 C ATOM 1809 C THR A1032 3.783 -24.296 8.285 1.00 0.00 C ATOM 1810 O THR A1032 4.287 -25.347 7.879 1.00 0.00 O ATOM 1811 CB THR A1032 2.427 -25.389 10.107 1.00 0.00 C ATOM 1812 OG1 THR A1032 1.143 -25.377 9.447 1.00 0.00 O ATOM 1813 CG2 THR A1032 2.227 -25.427 11.616 1.00 0.00 C ATOM 0 H THR A1032 1.624 -22.910 9.326 1.00 0.00 H new ATOM 0 HA THR A1032 4.130 -24.096 10.365 1.00 0.00 H new ATOM 0 HB THR A1032 2.972 -26.280 9.796 1.00 0.00 H new ATOM 0 HG1 THR A1032 0.644 -24.578 9.717 1.00 0.00 H new ATOM 0 HG21 THR A1032 1.634 -26.302 11.882 1.00 0.00 H new ATOM 0 HG22 THR A1032 3.197 -25.482 12.110 1.00 0.00 H new ATOM 0 HG23 THR A1032 1.707 -24.524 11.937 1.00 0.00 H new ATOM 1821 N GLN A1033 3.700 -23.195 7.555 1.00 0.00 N ATOM 1822 CA GLN A1033 4.097 -23.165 6.166 1.00 0.00 C ATOM 1823 C GLN A1033 5.616 -23.270 6.074 1.00 0.00 C ATOM 1824 O GLN A1033 6.169 -23.788 5.105 1.00 0.00 O ATOM 1825 CB GLN A1033 3.582 -21.886 5.539 1.00 0.00 C ATOM 1826 CG GLN A1033 3.374 -22.010 4.064 1.00 0.00 C ATOM 1827 CD GLN A1033 2.695 -20.802 3.461 1.00 0.00 C ATOM 1828 OE1 GLN A1033 2.828 -19.689 3.951 1.00 0.00 O ATOM 1829 NE2 GLN A1033 1.961 -21.018 2.386 1.00 0.00 N ATOM 0 H GLN A1033 3.356 -22.303 7.911 1.00 0.00 H new ATOM 0 HA GLN A1033 3.671 -24.008 5.622 1.00 0.00 H new ATOM 0 HB2 GLN A1033 2.641 -21.608 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A1033 4.288 -21.080 5.736 1.00 0.00 H new ATOM 0 HG2 GLN A1033 4.338 -22.159 3.578 1.00 0.00 H new ATOM 0 HG3 GLN A1033 2.774 -22.897 3.860 1.00 0.00 H new ATOM 0 HE21 GLN A1033 1.875 -21.962 2.008 1.00 0.00 H new ATOM 0 HE22 GLN A1033 1.479 -20.241 1.933 1.00 0.00 H new