USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 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 998 THR OG1 : rot 134:sc= -0.756! USER MOD Set 1.2: A1018 HIS : no HD1:sc= -0.672 K(o=-1.4,f=-8.1!) USER MOD Set 2.1: A1013 LYS NZ :NH3+ 158:sc= 0.279 (180deg=0) USER MOD Set 2.2: A1015 TYR OH : rot 180:sc= -0.349 USER MOD Set 3.1: A 960 LYS NZ :NH3+ 173:sc= 1.68 (180deg=1.62) USER MOD Set 3.2: A 963 SER OG : rot 139:sc= 1.24 USER MOD Set 4.1: A 937 ASN : amide:sc= -0.313 K(o=-0.88,f=-7.9!) USER MOD Set 4.2: A 954 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 927 HIS : no HE2:sc= 0.31 K(o=0.31,f=-1.1) USER MOD Single : A 928 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 936 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.5!) USER MOD Single : A 939 SER OG : rot -169:sc= -2.07! USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 952 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 953 TYR OH : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= -0.347 X(o=-0.35,f=0.0035) USER MOD Single : A 965 SER OG : rot 180:sc= 0.00608 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0 USER MOD Single : A 969 CYS SG : rot 33:sc= 0.0686 USER MOD Single : A 981 SER OG : rot 69:sc= 0.389 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.0737 X(o=-0.074,f=-0.37) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 995 TYR OH : rot 30:sc= 0 USER MOD Single : A1003 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A1004 LYS NZ :NH3+ 157:sc= -0.302 (180deg=-0.305) USER MOD Single : A1006 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1016 HIS : no HE2:sc= -8.38! C(o=-8.1!,f=-20!) USER MOD Single : A1017 THR OG1 : rot -119:sc= 0.447 USER MOD Single : A1026 LYS NZ :NH3+ 158:sc= 0.463 (180deg=-0.233!) USER MOD Single : A1028 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1032 THR OG1 : rot -28:sc= 0.0805 USER MOD Single : A1033 GLN : amide:sc= -2.44! C(o=-2.4!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -0.558 -18.785 13.828 1.00 0.00 N ATOM 122 CA HIS A 927 -0.116 -18.530 12.468 1.00 0.00 C ATOM 123 C HIS A 927 0.663 -17.256 12.487 1.00 0.00 C ATOM 124 O HIS A 927 0.584 -16.488 13.443 1.00 0.00 O ATOM 125 CB HIS A 927 -1.243 -18.233 11.469 1.00 0.00 C ATOM 126 CG HIS A 927 -2.541 -18.938 11.689 1.00 0.00 C ATOM 127 ND1 HIS A 927 -2.701 -20.305 11.666 1.00 0.00 N ATOM 128 CD2 HIS A 927 -3.759 -18.419 11.944 1.00 0.00 C ATOM 129 CE1 HIS A 927 -3.965 -20.595 11.894 1.00 0.00 C ATOM 130 NE2 HIS A 927 -4.635 -19.468 12.067 1.00 0.00 N ATOM 0 HA HIS A 927 0.418 -19.429 12.160 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -1.433 -17.160 11.481 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -0.886 -18.483 10.470 1.00 0.00 H new ATOM 0 HD1 HIS A 927 -1.959 -20.985 11.499 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.001 -17.370 12.035 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -4.385 -21.589 11.933 1.00 0.00 H new ATOM 139 N THR A 928 1.451 -17.061 11.477 1.00 0.00 N ATOM 140 CA THR A 928 1.941 -15.758 11.199 1.00 0.00 C ATOM 141 C THR A 928 1.114 -15.217 10.045 1.00 0.00 C ATOM 142 O THR A 928 0.893 -15.918 9.063 1.00 0.00 O ATOM 143 CB THR A 928 3.404 -15.814 10.784 1.00 0.00 C ATOM 144 OG1 THR A 928 3.881 -17.167 10.920 1.00 0.00 O ATOM 145 CG2 THR A 928 4.236 -14.885 11.648 1.00 0.00 C ATOM 0 H THR A 928 1.765 -17.789 10.835 1.00 0.00 H new ATOM 0 HA THR A 928 1.865 -15.125 12.083 1.00 0.00 H new ATOM 0 HB THR A 928 3.495 -15.493 9.746 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.823 -17.210 10.652 1.00 0.00 H new ATOM 0 HG21 THR A 928 5.280 -14.937 11.338 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.875 -13.863 11.536 1.00 0.00 H new ATOM 0 HG23 THR A 928 4.152 -15.187 12.692 1.00 0.00 H new ATOM 153 N GLU A 929 0.560 -14.059 10.216 1.00 0.00 N ATOM 154 CA GLU A 929 -0.105 -13.339 9.164 1.00 0.00 C ATOM 155 C GLU A 929 0.325 -11.894 9.349 1.00 0.00 C ATOM 156 O GLU A 929 0.624 -11.479 10.467 1.00 0.00 O ATOM 157 CB GLU A 929 -1.637 -13.488 9.216 1.00 0.00 C ATOM 158 CG GLU A 929 -2.290 -12.836 10.396 1.00 0.00 C ATOM 159 CD GLU A 929 -2.032 -13.494 11.732 1.00 0.00 C ATOM 160 OE1 GLU A 929 -1.008 -13.202 12.386 1.00 0.00 O ATOM 161 OE2 GLU A 929 -2.881 -14.280 12.178 1.00 0.00 O ATOM 0 H GLU A 929 0.555 -13.571 11.112 1.00 0.00 H new ATOM 0 HA GLU A 929 0.170 -13.730 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.061 -13.066 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -1.885 -14.549 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -1.952 -11.801 10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -3.366 -12.811 10.225 1.00 0.00 H new ATOM 168 N PHE A 930 0.400 -11.152 8.290 1.00 0.00 N ATOM 169 CA PHE A 930 0.906 -9.803 8.307 1.00 0.00 C ATOM 170 C PHE A 930 0.274 -9.081 7.133 1.00 0.00 C ATOM 171 O PHE A 930 0.082 -9.682 6.083 1.00 0.00 O ATOM 172 CB PHE A 930 2.439 -9.853 8.185 1.00 0.00 C ATOM 173 CG PHE A 930 3.133 -8.527 8.038 1.00 0.00 C ATOM 174 CD1 PHE A 930 3.207 -7.639 9.096 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.738 -8.187 6.841 1.00 0.00 C ATOM 176 CE1 PHE A 930 3.867 -6.432 8.964 1.00 0.00 C ATOM 177 CE2 PHE A 930 4.397 -6.981 6.701 1.00 0.00 C ATOM 178 CZ PHE A 930 4.462 -6.103 7.764 1.00 0.00 C ATOM 0 H PHE A 930 0.106 -11.468 7.366 1.00 0.00 H new ATOM 0 HA PHE A 930 0.662 -9.277 9.230 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.838 -10.353 9.068 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.695 -10.472 7.325 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.743 -7.892 10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 930 3.695 -8.872 6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 930 3.917 -5.748 9.798 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.861 -6.725 5.760 1.00 0.00 H new ATOM 0 HZ PHE A 930 4.978 -5.160 7.656 1.00 0.00 H new ATOM 188 N THR A 931 -0.133 -7.857 7.323 1.00 0.00 N ATOM 189 CA THR A 931 -0.705 -7.090 6.238 1.00 0.00 C ATOM 190 C THR A 931 0.410 -6.533 5.353 1.00 0.00 C ATOM 191 O THR A 931 1.387 -5.975 5.851 1.00 0.00 O ATOM 192 CB THR A 931 -1.588 -5.948 6.783 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.577 -6.499 7.671 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.291 -5.201 5.650 1.00 0.00 C ATOM 0 H THR A 931 -0.082 -7.365 8.215 1.00 0.00 H new ATOM 0 HA THR A 931 -1.336 -7.746 5.639 1.00 0.00 H new ATOM 0 HB THR A 931 -0.949 -5.243 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.140 -5.778 8.022 1.00 0.00 H new ATOM 0 HG21 THR A 931 -2.905 -4.403 6.067 1.00 0.00 H new ATOM 0 HG22 THR A 931 -1.546 -4.773 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 931 -2.924 -5.894 5.095 1.00 0.00 H new ATOM 202 N ASP A 932 0.256 -6.688 4.053 1.00 0.00 N ATOM 203 CA ASP A 932 1.227 -6.188 3.097 1.00 0.00 C ATOM 204 C ASP A 932 0.516 -5.037 2.410 1.00 0.00 C ATOM 205 O ASP A 932 -0.723 -5.005 2.403 1.00 0.00 O ATOM 206 CB ASP A 932 1.630 -7.271 2.075 1.00 0.00 C ATOM 207 CG ASP A 932 2.956 -6.990 1.371 1.00 0.00 C ATOM 208 OD1 ASP A 932 3.157 -5.887 0.823 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.832 -7.894 1.349 1.00 0.00 O ATOM 0 H ASP A 932 -0.542 -7.162 3.630 1.00 0.00 H new ATOM 0 HA ASP A 932 2.155 -5.883 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.696 -8.232 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.843 -7.361 1.326 1.00 0.00 H new ATOM 214 N GLU A 933 1.242 -4.110 1.844 1.00 0.00 N ATOM 215 CA GLU A 933 0.624 -2.924 1.301 1.00 0.00 C ATOM 216 C GLU A 933 1.470 -2.325 0.194 1.00 0.00 C ATOM 217 O GLU A 933 2.671 -2.596 0.086 1.00 0.00 O ATOM 218 CB GLU A 933 0.389 -1.901 2.414 1.00 0.00 C ATOM 219 CG GLU A 933 1.659 -1.326 3.014 1.00 0.00 C ATOM 220 CD GLU A 933 1.381 -0.339 4.119 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.136 -0.771 5.267 1.00 0.00 O ATOM 222 OE2 GLU A 933 1.392 0.881 3.857 1.00 0.00 O ATOM 0 H GLU A 933 2.256 -4.150 1.746 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.337 -3.203 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 933 -0.214 -1.084 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.192 -2.372 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.273 -2.138 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.237 -0.836 2.231 1.00 0.00 H new ATOM 229 N VAL A 934 0.833 -1.528 -0.629 1.00 0.00 N ATOM 230 CA VAL A 934 1.511 -0.803 -1.696 1.00 0.00 C ATOM 231 C VAL A 934 0.774 0.519 -1.900 1.00 0.00 C ATOM 232 O VAL A 934 -0.224 0.757 -1.224 1.00 0.00 O ATOM 233 CB VAL A 934 1.560 -1.664 -2.988 1.00 0.00 C ATOM 234 CG1 VAL A 934 0.188 -1.863 -3.612 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.568 -1.159 -4.018 1.00 0.00 C ATOM 0 H VAL A 934 -0.172 -1.358 -0.584 1.00 0.00 H new ATOM 0 HA VAL A 934 2.547 -0.592 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 934 1.915 -2.641 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 934 0.282 -2.472 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -0.466 -2.366 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 934 -0.237 -0.894 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.549 -1.807 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.308 -0.142 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.567 -1.166 -3.583 1.00 0.00 H new ATOM 245 N TYR A 935 1.219 1.350 -2.818 1.00 0.00 N ATOM 246 CA TYR A 935 0.634 2.655 -3.033 1.00 0.00 C ATOM 247 C TYR A 935 0.556 2.962 -4.516 1.00 0.00 C ATOM 248 O TYR A 935 1.571 2.944 -5.199 1.00 0.00 O ATOM 249 CB TYR A 935 1.477 3.736 -2.394 1.00 0.00 C ATOM 250 CG TYR A 935 1.449 3.811 -0.885 1.00 0.00 C ATOM 251 CD1 TYR A 935 0.442 4.510 -0.232 1.00 0.00 C ATOM 252 CD2 TYR A 935 2.453 3.239 -0.120 1.00 0.00 C ATOM 253 CE1 TYR A 935 0.441 4.642 1.140 1.00 0.00 C ATOM 254 CE2 TYR A 935 2.451 3.355 1.254 1.00 0.00 C ATOM 255 CZ TYR A 935 1.448 4.063 1.875 1.00 0.00 C ATOM 256 OH TYR A 935 1.458 4.202 3.240 1.00 0.00 O ATOM 0 H TYR A 935 2.000 1.138 -3.439 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.361 2.639 -2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.511 3.593 -2.709 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.153 4.699 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 935 -0.354 4.958 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 935 3.248 2.695 -0.607 1.00 0.00 H new ATOM 0 HE1 TYR A 935 -0.344 5.196 1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 935 3.232 2.893 1.839 1.00 0.00 H new ATOM 0 HH TYR A 935 2.235 3.733 3.611 1.00 0.00 H new ATOM 266 N GLN A 936 -0.649 3.151 -5.011 1.00 0.00 N ATOM 267 CA GLN A 936 -0.880 3.649 -6.359 1.00 0.00 C ATOM 268 C GLN A 936 -0.671 5.151 -6.388 1.00 0.00 C ATOM 269 O GLN A 936 -1.322 5.879 -5.642 1.00 0.00 O ATOM 270 CB GLN A 936 -2.315 3.375 -6.747 1.00 0.00 C ATOM 271 CG GLN A 936 -2.699 1.921 -6.722 1.00 0.00 C ATOM 272 CD GLN A 936 -4.174 1.749 -6.936 1.00 0.00 C ATOM 273 OE1 GLN A 936 -4.945 1.695 -5.989 1.00 0.00 O ATOM 274 NE2 GLN A 936 -4.576 1.758 -8.173 1.00 0.00 N ATOM 0 H GLN A 936 -1.505 2.963 -4.489 1.00 0.00 H new ATOM 0 HA GLN A 936 -0.191 3.156 -7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -2.972 3.923 -6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.489 3.767 -7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -2.151 1.383 -7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -2.413 1.482 -5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.894 1.804 -8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -5.573 1.719 -8.386 1.00 0.00 H new ATOM 283 N ASN A 937 0.231 5.594 -7.231 1.00 0.00 N ATOM 284 CA ASN A 937 0.609 6.994 -7.334 1.00 0.00 C ATOM 285 C ASN A 937 0.293 7.569 -8.698 1.00 0.00 C ATOM 286 O ASN A 937 0.472 6.913 -9.730 1.00 0.00 O ATOM 287 CB ASN A 937 2.109 7.147 -7.105 1.00 0.00 C ATOM 288 CG ASN A 937 2.547 6.875 -5.693 1.00 0.00 C ATOM 289 OD1 ASN A 937 2.693 7.790 -4.879 1.00 0.00 O ATOM 290 ND2 ASN A 937 2.720 5.620 -5.377 1.00 0.00 N ATOM 0 H ASN A 937 0.734 4.987 -7.878 1.00 0.00 H new ATOM 0 HA ASN A 937 0.037 7.531 -6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.639 6.469 -7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.405 8.160 -7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 937 2.986 5.366 -4.426 1.00 0.00 H new ATOM 0 HD22 ASN A 937 2.589 4.894 -6.081 1.00 0.00 H new ATOM 297 N GLU A 938 -0.120 8.815 -8.682 1.00 0.00 N ATOM 298 CA GLU A 938 -0.371 9.599 -9.879 1.00 0.00 C ATOM 299 C GLU A 938 0.236 10.974 -9.634 1.00 0.00 C ATOM 300 O GLU A 938 0.346 11.396 -8.474 1.00 0.00 O ATOM 301 CB GLU A 938 -1.870 9.733 -10.149 1.00 0.00 C ATOM 302 CG GLU A 938 -2.593 8.415 -10.364 1.00 0.00 C ATOM 303 CD GLU A 938 -4.068 8.612 -10.611 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.779 9.037 -9.690 1.00 0.00 O ATOM 305 OE2 GLU A 938 -4.541 8.355 -11.736 1.00 0.00 O ATOM 0 H GLU A 938 -0.296 9.328 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 938 0.070 9.113 -10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.332 10.253 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -2.013 10.359 -11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -2.150 7.893 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.454 7.779 -9.490 1.00 0.00 H new ATOM 312 N SER A 939 0.671 11.651 -10.678 1.00 0.00 N ATOM 313 CA SER A 939 1.251 12.968 -10.524 1.00 0.00 C ATOM 314 C SER A 939 0.715 13.942 -11.557 1.00 0.00 C ATOM 315 O SER A 939 0.420 13.555 -12.684 1.00 0.00 O ATOM 316 CB SER A 939 2.775 12.898 -10.587 1.00 0.00 C ATOM 317 OG SER A 939 3.227 12.214 -11.748 1.00 0.00 O ATOM 0 H SER A 939 0.634 11.311 -11.639 1.00 0.00 H new ATOM 0 HA SER A 939 0.961 13.340 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 939 3.185 13.908 -10.578 1.00 0.00 H new ATOM 0 HB3 SER A 939 3.152 12.393 -9.698 1.00 0.00 H new ATOM 0 HG SER A 939 4.188 12.036 -11.670 1.00 0.00 H new ATOM 323 N ARG A 940 0.598 15.191 -11.154 1.00 0.00 N ATOM 324 CA ARG A 940 0.084 16.258 -11.970 1.00 0.00 C ATOM 325 C ARG A 940 0.678 17.562 -11.492 1.00 0.00 C ATOM 326 O ARG A 940 1.216 17.626 -10.388 1.00 0.00 O ATOM 327 CB ARG A 940 -1.423 16.378 -11.859 1.00 0.00 C ATOM 328 CG ARG A 940 -1.932 16.690 -10.462 1.00 0.00 C ATOM 329 CD ARG A 940 -3.338 17.216 -10.572 1.00 0.00 C ATOM 330 NE ARG A 940 -3.864 17.758 -9.328 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.118 18.204 -9.193 1.00 0.00 C ATOM 332 NH1 ARG A 940 -5.946 18.192 -10.243 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.540 18.668 -8.026 1.00 0.00 N ATOM 0 H ARG A 940 0.868 15.495 -10.219 1.00 0.00 H new ATOM 0 HA ARG A 940 0.347 16.041 -13.005 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -1.763 17.160 -12.538 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -1.874 15.445 -12.196 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -1.910 15.794 -9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.289 17.426 -9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -3.366 17.993 -11.336 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -3.991 16.412 -10.911 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.245 17.800 -8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -5.621 17.843 -11.145 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -6.903 18.532 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -4.908 18.686 -7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.497 19.007 -7.928 1.00 0.00 H new ATOM 347 N TYR A 941 0.625 18.569 -12.337 1.00 0.00 N ATOM 348 CA TYR A 941 1.013 19.908 -11.927 1.00 0.00 C ATOM 349 C TYR A 941 -0.046 20.371 -10.938 1.00 0.00 C ATOM 350 O TYR A 941 -1.179 19.876 -11.004 1.00 0.00 O ATOM 351 CB TYR A 941 0.980 20.888 -13.093 1.00 0.00 C ATOM 352 CG TYR A 941 1.536 20.339 -14.387 1.00 0.00 C ATOM 353 CD1 TYR A 941 2.903 20.279 -14.628 1.00 0.00 C ATOM 354 CD2 TYR A 941 0.680 19.875 -15.371 1.00 0.00 C ATOM 355 CE1 TYR A 941 3.391 19.769 -15.818 1.00 0.00 C ATOM 356 CE2 TYR A 941 1.157 19.367 -16.560 1.00 0.00 C ATOM 357 CZ TYR A 941 2.510 19.316 -16.779 1.00 0.00 C ATOM 358 OH TYR A 941 2.986 18.795 -17.966 1.00 0.00 O ATOM 0 H TYR A 941 0.319 18.491 -13.307 1.00 0.00 H new ATOM 0 HA TYR A 941 2.024 19.881 -11.519 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.051 21.202 -13.259 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.544 21.779 -12.819 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.593 20.635 -13.877 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -0.386 19.912 -15.203 1.00 0.00 H new ATOM 0 HE1 TYR A 941 4.456 19.726 -15.994 1.00 0.00 H new ATOM 0 HE2 TYR A 941 0.470 19.012 -17.314 1.00 0.00 H new ATOM 0 HH TYR A 941 2.232 18.522 -18.529 1.00 0.00 H new ATOM 368 N PRO A 942 0.284 21.275 -10.009 1.00 0.00 N ATOM 369 CA PRO A 942 -0.713 21.859 -9.109 1.00 0.00 C ATOM 370 C PRO A 942 -1.856 22.500 -9.892 1.00 0.00 C ATOM 371 O PRO A 942 -1.717 23.607 -10.422 1.00 0.00 O ATOM 372 CB PRO A 942 0.075 22.927 -8.364 1.00 0.00 C ATOM 373 CG PRO A 942 1.487 22.453 -8.399 1.00 0.00 C ATOM 374 CD PRO A 942 1.646 21.767 -9.723 1.00 0.00 C ATOM 0 HA PRO A 942 -1.174 21.118 -8.455 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -0.027 23.901 -8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -0.280 23.038 -7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 942 2.183 23.286 -8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 942 1.692 21.769 -7.575 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.997 22.454 -10.493 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.367 20.951 -9.671 1.00 0.00 H new ATOM 382 N GLY A 943 -2.953 21.777 -10.040 1.00 0.00 N ATOM 383 CA GLY A 943 -4.041 22.250 -10.848 1.00 0.00 C ATOM 384 C GLY A 943 -3.867 21.685 -12.233 1.00 0.00 C ATOM 385 O GLY A 943 -3.556 22.413 -13.175 1.00 0.00 O ATOM 0 H GLY A 943 -3.104 20.865 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -4.995 21.936 -10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -4.048 23.340 -10.878 1.00 0.00 H new ATOM 389 N GLY A 944 -4.002 20.372 -12.358 1.00 0.00 N ATOM 390 CA GLY A 944 -3.771 19.742 -13.625 1.00 0.00 C ATOM 391 C GLY A 944 -4.433 18.379 -13.744 1.00 0.00 C ATOM 392 O GLY A 944 -5.387 18.056 -13.027 1.00 0.00 O ATOM 0 H GLY A 944 -4.267 19.740 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.142 20.390 -14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.698 19.632 -13.779 1.00 0.00 H new ATOM 396 N ASP A 945 -3.858 17.593 -14.619 1.00 0.00 N ATOM 397 CA ASP A 945 -4.321 16.246 -14.942 1.00 0.00 C ATOM 398 C ASP A 945 -3.262 15.224 -14.555 1.00 0.00 C ATOM 399 O ASP A 945 -2.089 15.408 -14.885 1.00 0.00 O ATOM 400 CB ASP A 945 -4.656 16.152 -16.431 1.00 0.00 C ATOM 401 CG ASP A 945 -5.039 14.754 -16.860 1.00 0.00 C ATOM 402 OD1 ASP A 945 -6.131 14.269 -16.481 1.00 0.00 O ATOM 403 OD2 ASP A 945 -4.265 14.113 -17.595 1.00 0.00 O ATOM 0 H ASP A 945 -3.031 17.870 -15.147 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.226 16.030 -14.374 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -5.476 16.834 -16.658 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -3.796 16.483 -17.013 1.00 0.00 H new ATOM 408 N TRP A 946 -3.656 14.168 -13.846 1.00 0.00 N ATOM 409 CA TRP A 946 -2.716 13.194 -13.350 1.00 0.00 C ATOM 410 C TRP A 946 -2.321 12.217 -14.455 1.00 0.00 C ATOM 411 O TRP A 946 -3.079 11.968 -15.392 1.00 0.00 O ATOM 412 CB TRP A 946 -3.313 12.367 -12.207 1.00 0.00 C ATOM 413 CG TRP A 946 -3.947 13.102 -11.081 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.254 13.439 -10.954 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.308 13.521 -9.878 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.457 14.060 -9.755 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.282 14.127 -9.077 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.005 13.452 -9.410 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -3.995 14.661 -7.826 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.718 13.977 -8.176 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.707 14.576 -7.395 1.00 0.00 C ATOM 0 H TRP A 946 -4.628 13.974 -13.607 1.00 0.00 H new ATOM 0 HA TRP A 946 -1.850 13.752 -12.994 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -4.060 11.696 -12.633 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -2.520 11.742 -11.796 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -6.020 13.245 -11.691 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.352 14.418 -9.421 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.230 12.993 -10.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.762 15.124 -7.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.706 13.926 -7.801 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.445 14.981 -6.429 1.00 0.00 H new ATOM 432 N LYS A 947 -1.148 11.663 -14.300 1.00 0.00 N ATOM 433 CA LYS A 947 -0.611 10.607 -15.137 1.00 0.00 C ATOM 434 C LYS A 947 0.007 9.641 -14.148 1.00 0.00 C ATOM 435 O LYS A 947 0.015 9.975 -12.964 1.00 0.00 O ATOM 436 CB LYS A 947 0.489 11.133 -16.066 1.00 0.00 C ATOM 437 CG LYS A 947 0.064 12.188 -17.063 1.00 0.00 C ATOM 438 CD LYS A 947 1.228 12.516 -17.977 1.00 0.00 C ATOM 439 CE LYS A 947 0.912 13.629 -18.955 1.00 0.00 C ATOM 440 NZ LYS A 947 2.023 13.803 -19.919 1.00 0.00 N ATOM 0 H LYS A 947 -0.508 11.943 -13.557 1.00 0.00 H new ATOM 0 HA LYS A 947 -1.380 10.166 -15.772 1.00 0.00 H new ATOM 0 HB2 LYS A 947 1.291 11.543 -15.452 1.00 0.00 H new ATOM 0 HB3 LYS A 947 0.908 10.290 -16.615 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -0.783 11.830 -17.649 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -0.266 13.086 -16.540 1.00 0.00 H new ATOM 0 HD2 LYS A 947 2.089 12.803 -17.373 1.00 0.00 H new ATOM 0 HD3 LYS A 947 1.512 11.621 -18.531 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -0.009 13.400 -19.490 1.00 0.00 H new ATOM 0 HE3 LYS A 947 0.743 14.560 -18.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 1.790 14.570 -20.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 2.895 14.043 -19.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 2.165 12.919 -20.448 1.00 0.00 H new ATOM 454 N PRO A 948 0.510 8.456 -14.542 1.00 0.00 N ATOM 455 CA PRO A 948 1.234 7.600 -13.597 1.00 0.00 C ATOM 456 C PRO A 948 2.392 8.387 -12.980 1.00 0.00 C ATOM 457 O PRO A 948 3.160 9.009 -13.708 1.00 0.00 O ATOM 458 CB PRO A 948 1.756 6.457 -14.477 1.00 0.00 C ATOM 459 CG PRO A 948 0.831 6.427 -15.647 1.00 0.00 C ATOM 460 CD PRO A 948 0.407 7.847 -15.883 1.00 0.00 C ATOM 0 HA PRO A 948 0.621 7.242 -12.770 1.00 0.00 H new ATOM 0 HB2 PRO A 948 2.785 6.636 -14.790 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.747 5.508 -13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 948 1.329 6.018 -16.526 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.031 5.792 -15.445 1.00 0.00 H new ATOM 0 HD2 PRO A 948 1.055 8.347 -16.603 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -0.609 7.904 -16.275 1.00 0.00 H new ATOM 468 N ALA A 949 2.498 8.393 -11.653 1.00 0.00 N ATOM 469 CA ALA A 949 3.515 9.207 -10.952 1.00 0.00 C ATOM 470 C ALA A 949 4.957 8.703 -11.098 1.00 0.00 C ATOM 471 O ALA A 949 5.712 8.736 -10.117 1.00 0.00 O ATOM 472 CB ALA A 949 3.184 9.315 -9.478 1.00 0.00 C ATOM 0 H ALA A 949 1.898 7.848 -11.034 1.00 0.00 H new ATOM 0 HA ALA A 949 3.474 10.181 -11.440 1.00 0.00 H new ATOM 0 HB1 ALA A 949 3.943 9.917 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.209 9.787 -9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 949 3.162 8.319 -9.036 1.00 0.00 H new ATOM 478 N GLU A 950 5.317 8.193 -12.285 1.00 0.00 N ATOM 479 CA GLU A 950 6.681 7.761 -12.649 1.00 0.00 C ATOM 480 C GLU A 950 6.857 6.372 -12.187 1.00 0.00 C ATOM 481 O GLU A 950 7.084 5.449 -12.970 1.00 0.00 O ATOM 482 CB GLU A 950 7.789 8.626 -12.065 1.00 0.00 C ATOM 483 CG GLU A 950 7.664 10.022 -12.539 1.00 0.00 C ATOM 484 CD GLU A 950 8.681 10.956 -11.929 1.00 0.00 C ATOM 485 OE1 GLU A 950 9.833 10.985 -12.400 1.00 0.00 O ATOM 486 OE2 GLU A 950 8.350 11.684 -10.968 1.00 0.00 O ATOM 0 H GLU A 950 4.648 8.064 -13.044 1.00 0.00 H new ATOM 0 HA GLU A 950 6.769 7.854 -13.731 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.742 8.600 -10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 950 8.761 8.224 -12.352 1.00 0.00 H new ATOM 0 HG2 GLU A 950 7.770 10.040 -13.624 1.00 0.00 H new ATOM 0 HG3 GLU A 950 6.663 10.387 -12.310 1.00 0.00 H new ATOM 493 N ASP A 951 6.664 6.220 -10.915 1.00 0.00 N ATOM 494 CA ASP A 951 6.720 4.946 -10.335 1.00 0.00 C ATOM 495 C ASP A 951 5.341 4.738 -9.751 1.00 0.00 C ATOM 496 O ASP A 951 5.015 5.345 -8.732 1.00 0.00 O ATOM 497 CB ASP A 951 7.807 4.819 -9.257 1.00 0.00 C ATOM 498 CG ASP A 951 9.182 5.239 -9.727 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.866 4.464 -10.439 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.605 6.371 -9.400 1.00 0.00 O ATOM 0 H ASP A 951 6.465 6.981 -10.265 1.00 0.00 H new ATOM 0 HA ASP A 951 6.988 4.191 -11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.526 5.426 -8.397 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.849 3.784 -8.917 1.00 0.00 H new ATOM 505 N THR A 952 4.510 3.978 -10.431 1.00 0.00 N ATOM 506 CA THR A 952 3.120 3.840 -10.043 1.00 0.00 C ATOM 507 C THR A 952 2.983 3.176 -8.675 1.00 0.00 C ATOM 508 O THR A 952 2.421 3.759 -7.756 1.00 0.00 O ATOM 509 CB THR A 952 2.337 3.070 -11.125 1.00 0.00 C ATOM 510 OG1 THR A 952 2.575 3.708 -12.392 1.00 0.00 O ATOM 511 CG2 THR A 952 0.837 3.069 -10.827 1.00 0.00 C ATOM 0 H THR A 952 4.773 3.443 -11.259 1.00 0.00 H new ATOM 0 HA THR A 952 2.690 4.838 -9.956 1.00 0.00 H new ATOM 0 HB THR A 952 2.675 2.034 -11.142 1.00 0.00 H new ATOM 0 HG1 THR A 952 2.086 3.231 -13.095 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.311 2.519 -11.607 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.658 2.592 -9.863 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.471 4.095 -10.798 1.00 0.00 H new ATOM 519 N TYR A 953 3.517 1.983 -8.529 1.00 0.00 N ATOM 520 CA TYR A 953 3.457 1.294 -7.258 1.00 0.00 C ATOM 521 C TYR A 953 4.765 1.482 -6.504 1.00 0.00 C ATOM 522 O TYR A 953 5.834 1.143 -7.009 1.00 0.00 O ATOM 523 CB TYR A 953 3.127 -0.183 -7.463 1.00 0.00 C ATOM 524 CG TYR A 953 1.711 -0.401 -7.948 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.659 -0.439 -7.047 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.421 -0.553 -9.300 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.638 -0.627 -7.471 1.00 0.00 C ATOM 528 CE2 TYR A 953 0.122 -0.738 -9.736 1.00 0.00 C ATOM 529 CZ TYR A 953 -0.904 -0.775 -8.816 1.00 0.00 C ATOM 530 OH TYR A 953 -2.200 -0.953 -9.239 1.00 0.00 O ATOM 0 H TYR A 953 3.996 1.472 -9.271 1.00 0.00 H new ATOM 0 HA TYR A 953 2.657 1.723 -6.654 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.824 -0.610 -8.184 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.272 -0.718 -6.524 1.00 0.00 H new ATOM 0 HD1 TYR A 953 0.860 -0.319 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 953 2.224 -0.526 -10.021 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.444 -0.658 -6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -0.087 -0.853 -10.789 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.217 -1.040 -10.215 1.00 0.00 H new ATOM 540 N THR A 954 4.660 1.955 -5.277 1.00 0.00 N ATOM 541 CA THR A 954 5.807 2.348 -4.470 1.00 0.00 C ATOM 542 C THR A 954 5.479 2.118 -3.006 1.00 0.00 C ATOM 543 O THR A 954 4.380 1.627 -2.684 1.00 0.00 O ATOM 544 CB THR A 954 6.160 3.843 -4.661 1.00 0.00 C ATOM 545 OG1 THR A 954 5.009 4.652 -4.439 1.00 0.00 O ATOM 546 CG2 THR A 954 6.702 4.134 -6.050 1.00 0.00 C ATOM 0 H THR A 954 3.765 2.080 -4.803 1.00 0.00 H new ATOM 0 HA THR A 954 6.661 1.749 -4.786 1.00 0.00 H new ATOM 0 HB THR A 954 6.937 4.079 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 954 5.244 5.596 -4.561 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.935 5.195 -6.135 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.607 3.550 -6.217 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.954 3.866 -6.796 1.00 0.00 H new ATOM 554 N ASP A 955 6.418 2.465 -2.140 1.00 0.00 N ATOM 555 CA ASP A 955 6.206 2.398 -0.710 1.00 0.00 C ATOM 556 C ASP A 955 6.019 3.833 -0.224 1.00 0.00 C ATOM 557 O ASP A 955 6.014 4.760 -1.038 1.00 0.00 O ATOM 558 CB ASP A 955 7.414 1.761 0.000 1.00 0.00 C ATOM 559 CG ASP A 955 8.569 2.730 0.217 1.00 0.00 C ATOM 560 OD1 ASP A 955 9.141 3.250 -0.759 1.00 0.00 O ATOM 561 OD2 ASP A 955 8.904 3.017 1.384 1.00 0.00 O ATOM 0 H ASP A 955 7.343 2.799 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 955 5.335 1.782 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 955 7.093 1.368 0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 955 7.766 0.914 -0.588 1.00 0.00 H new ATOM 566 N ALA A 956 5.867 4.006 1.079 1.00 0.00 N ATOM 567 CA ALA A 956 5.754 5.334 1.685 1.00 0.00 C ATOM 568 C ALA A 956 6.899 6.276 1.268 1.00 0.00 C ATOM 569 O ALA A 956 6.701 7.491 1.155 1.00 0.00 O ATOM 570 CB ALA A 956 5.694 5.214 3.200 1.00 0.00 C ATOM 0 H ALA A 956 5.818 3.238 1.748 1.00 0.00 H new ATOM 0 HA ALA A 956 4.829 5.777 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 956 5.610 6.207 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 956 4.827 4.617 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 956 6.602 4.732 3.563 1.00 0.00 H new ATOM 576 N ASN A 957 8.081 5.726 1.023 1.00 0.00 N ATOM 577 CA ASN A 957 9.234 6.504 0.608 1.00 0.00 C ATOM 578 C ASN A 957 9.231 6.797 -0.900 1.00 0.00 C ATOM 579 O ASN A 957 9.551 7.918 -1.308 1.00 0.00 O ATOM 580 CB ASN A 957 10.518 5.801 1.081 1.00 0.00 C ATOM 581 CG ASN A 957 11.688 5.919 0.131 1.00 0.00 C ATOM 582 OD1 ASN A 957 12.451 6.896 0.155 1.00 0.00 O ATOM 583 ND2 ASN A 957 11.874 4.887 -0.663 1.00 0.00 N ATOM 0 H ASN A 957 8.264 4.726 1.107 1.00 0.00 H new ATOM 0 HA ASN A 957 9.187 7.484 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 957 10.808 6.215 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 957 10.301 4.745 1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 957 12.674 4.868 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 957 11.218 4.106 -0.646 1.00 0.00 H new ATOM 590 N GLY A 958 8.870 5.819 -1.720 1.00 0.00 N ATOM 591 CA GLY A 958 8.800 6.046 -3.158 1.00 0.00 C ATOM 592 C GLY A 958 9.545 4.997 -3.926 1.00 0.00 C ATOM 593 O GLY A 958 9.636 5.051 -5.155 1.00 0.00 O ATOM 0 H GLY A 958 8.625 4.875 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.757 6.055 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 958 9.212 7.028 -3.391 1.00 0.00 H new ATOM 597 N ASP A 959 10.151 4.105 -3.184 1.00 0.00 N ATOM 598 CA ASP A 959 10.820 2.958 -3.750 1.00 0.00 C ATOM 599 C ASP A 959 9.804 2.087 -4.452 1.00 0.00 C ATOM 600 O ASP A 959 8.947 1.473 -3.800 1.00 0.00 O ATOM 601 CB ASP A 959 11.549 2.158 -2.676 1.00 0.00 C ATOM 602 CG ASP A 959 12.202 0.907 -3.226 1.00 0.00 C ATOM 603 OD1 ASP A 959 13.156 1.015 -4.027 1.00 0.00 O ATOM 604 OD2 ASP A 959 11.763 -0.206 -2.877 1.00 0.00 O ATOM 0 H ASP A 959 10.195 4.153 -2.166 1.00 0.00 H new ATOM 0 HA ASP A 959 11.565 3.305 -4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 959 12.309 2.787 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 959 10.844 1.881 -1.893 1.00 0.00 H new ATOM 609 N LYS A 960 9.826 2.169 -5.777 1.00 0.00 N ATOM 610 CA LYS A 960 8.983 1.345 -6.639 1.00 0.00 C ATOM 611 C LYS A 960 9.118 -0.098 -6.180 1.00 0.00 C ATOM 612 O LYS A 960 10.216 -0.667 -6.171 1.00 0.00 O ATOM 613 CB LYS A 960 9.398 1.498 -8.123 1.00 0.00 C ATOM 614 CG LYS A 960 8.380 0.988 -9.160 1.00 0.00 C ATOM 615 CD LYS A 960 8.152 -0.518 -9.108 1.00 0.00 C ATOM 616 CE LYS A 960 7.038 -0.966 -10.039 1.00 0.00 C ATOM 617 NZ LYS A 960 6.767 -2.424 -9.903 1.00 0.00 N ATOM 0 H LYS A 960 10.432 2.812 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 960 7.943 1.664 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 960 9.591 2.553 -8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 960 10.338 0.968 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 960 7.429 1.496 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 960 8.724 1.260 -10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 960 9.075 -1.032 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 960 7.909 -0.811 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 960 6.130 -0.404 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 960 7.311 -0.740 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 5.926 -2.674 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 7.586 -2.963 -10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 6.599 -2.654 -8.903 1.00 0.00 H new ATOM 631 N ALA A 961 8.007 -0.671 -5.794 1.00 0.00 N ATOM 632 CA ALA A 961 8.001 -2.002 -5.239 1.00 0.00 C ATOM 633 C ALA A 961 7.044 -2.894 -6.001 1.00 0.00 C ATOM 634 O ALA A 961 6.539 -2.519 -7.070 1.00 0.00 O ATOM 635 CB ALA A 961 7.643 -1.952 -3.759 1.00 0.00 C ATOM 0 H ALA A 961 7.088 -0.233 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 961 9.000 -2.427 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.642 -2.963 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 961 8.377 -1.347 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.654 -1.511 -3.639 1.00 0.00 H new ATOM 641 N ALA A 962 6.848 -4.089 -5.477 1.00 0.00 N ATOM 642 CA ALA A 962 5.949 -5.052 -6.064 1.00 0.00 C ATOM 643 C ALA A 962 4.517 -4.535 -6.081 1.00 0.00 C ATOM 644 O ALA A 962 4.045 -3.896 -5.141 1.00 0.00 O ATOM 645 CB ALA A 962 6.043 -6.370 -5.326 1.00 0.00 C ATOM 0 H ALA A 962 7.312 -4.416 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 962 6.248 -5.212 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 962 5.360 -7.089 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.063 -6.750 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 962 5.774 -6.221 -4.280 1.00 0.00 H new ATOM 651 N SER A 963 3.852 -4.834 -7.162 1.00 0.00 N ATOM 652 CA SER A 963 2.516 -4.400 -7.428 1.00 0.00 C ATOM 653 C SER A 963 1.601 -5.578 -7.154 1.00 0.00 C ATOM 654 O SER A 963 2.089 -6.694 -7.118 1.00 0.00 O ATOM 655 CB SER A 963 2.449 -3.996 -8.890 1.00 0.00 C ATOM 656 OG SER A 963 3.492 -3.092 -9.206 1.00 0.00 O ATOM 0 H SER A 963 4.244 -5.409 -7.908 1.00 0.00 H new ATOM 0 HA SER A 963 2.218 -3.554 -6.809 1.00 0.00 H new ATOM 0 HB2 SER A 963 2.524 -4.881 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 963 1.484 -3.535 -9.102 1.00 0.00 H new ATOM 0 HG SER A 963 3.864 -3.316 -10.085 1.00 0.00 H new ATOM 662 N PRO A 964 0.292 -5.368 -6.983 1.00 0.00 N ATOM 663 CA PRO A 964 -0.646 -6.443 -6.661 1.00 0.00 C ATOM 664 C PRO A 964 -0.558 -7.659 -7.597 1.00 0.00 C ATOM 665 O PRO A 964 -0.658 -8.797 -7.140 1.00 0.00 O ATOM 666 CB PRO A 964 -2.025 -5.774 -6.704 1.00 0.00 C ATOM 667 CG PRO A 964 -1.817 -4.395 -7.236 1.00 0.00 C ATOM 668 CD PRO A 964 -0.362 -4.064 -7.059 1.00 0.00 C ATOM 0 HA PRO A 964 -0.418 -6.875 -5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -2.708 -6.336 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -2.471 -5.742 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -2.098 -4.342 -8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -2.442 -3.679 -6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.018 -3.475 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 964 -0.193 -3.480 -6.154 1.00 0.00 H new ATOM 676 N SER A 965 -0.340 -7.438 -8.887 1.00 0.00 N ATOM 677 CA SER A 965 -0.147 -8.547 -9.809 1.00 0.00 C ATOM 678 C SER A 965 1.286 -9.088 -9.727 1.00 0.00 C ATOM 679 O SER A 965 1.500 -10.286 -9.604 1.00 0.00 O ATOM 680 CB SER A 965 -0.490 -8.110 -11.232 1.00 0.00 C ATOM 681 OG SER A 965 0.194 -6.910 -11.583 1.00 0.00 O ATOM 0 H SER A 965 -0.293 -6.513 -9.314 1.00 0.00 H new ATOM 0 HA SER A 965 -0.819 -9.357 -9.524 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.223 -8.902 -11.932 1.00 0.00 H new ATOM 0 HB3 SER A 965 -1.566 -7.957 -11.319 1.00 0.00 H new ATOM 0 HG SER A 965 -0.043 -6.655 -12.499 1.00 0.00 H new ATOM 687 N GLU A 966 2.256 -8.182 -9.758 1.00 0.00 N ATOM 688 CA GLU A 966 3.684 -8.531 -9.687 1.00 0.00 C ATOM 689 C GLU A 966 4.092 -9.151 -8.339 1.00 0.00 C ATOM 690 O GLU A 966 5.218 -9.625 -8.188 1.00 0.00 O ATOM 691 CB GLU A 966 4.559 -7.297 -9.912 1.00 0.00 C ATOM 692 CG GLU A 966 4.378 -6.592 -11.244 1.00 0.00 C ATOM 693 CD GLU A 966 5.319 -5.413 -11.381 1.00 0.00 C ATOM 694 OE1 GLU A 966 4.972 -4.301 -10.933 1.00 0.00 O ATOM 695 OE2 GLU A 966 6.434 -5.581 -11.921 1.00 0.00 O ATOM 0 H GLU A 966 2.082 -7.180 -9.833 1.00 0.00 H new ATOM 0 HA GLU A 966 3.838 -9.271 -10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 966 4.358 -6.582 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 966 5.604 -7.594 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 966 4.555 -7.296 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 966 3.348 -6.249 -11.338 1.00 0.00 H new ATOM 702 N LEU A 967 3.204 -9.150 -7.365 1.00 0.00 N ATOM 703 CA LEU A 967 3.544 -9.620 -6.050 1.00 0.00 C ATOM 704 C LEU A 967 2.983 -11.017 -5.875 1.00 0.00 C ATOM 705 O LEU A 967 1.762 -11.224 -5.855 1.00 0.00 O ATOM 706 CB LEU A 967 3.001 -8.651 -4.995 1.00 0.00 C ATOM 707 CG LEU A 967 3.897 -8.442 -3.772 1.00 0.00 C ATOM 708 CD1 LEU A 967 3.309 -7.406 -2.849 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.135 -9.731 -3.026 1.00 0.00 C ATOM 0 H LEU A 967 2.242 -8.827 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 967 4.626 -9.663 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 967 2.830 -7.684 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.032 -9.016 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 967 4.861 -8.084 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.963 -7.274 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 967 3.212 -6.459 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.326 -7.735 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 967 4.775 -9.540 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 967 3.182 -10.136 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 967 4.620 -10.450 -3.687 1.00 0.00 H new ATOM 721 N THR A 968 3.880 -11.965 -5.783 1.00 0.00 N ATOM 722 CA THR A 968 3.522 -13.354 -5.682 1.00 0.00 C ATOM 723 C THR A 968 3.728 -13.817 -4.251 1.00 0.00 C ATOM 724 O THR A 968 4.510 -13.216 -3.510 1.00 0.00 O ATOM 725 CB THR A 968 4.426 -14.192 -6.596 1.00 0.00 C ATOM 726 OG1 THR A 968 4.972 -13.353 -7.629 1.00 0.00 O ATOM 727 CG2 THR A 968 3.634 -15.311 -7.242 1.00 0.00 C ATOM 0 H THR A 968 4.885 -11.792 -5.776 1.00 0.00 H new ATOM 0 HA THR A 968 2.480 -13.477 -5.978 1.00 0.00 H new ATOM 0 HB THR A 968 5.228 -14.620 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 968 5.551 -13.887 -8.212 1.00 0.00 H new ATOM 0 HG21 THR A 968 4.290 -15.896 -7.887 1.00 0.00 H new ATOM 0 HG22 THR A 968 3.217 -15.956 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.824 -14.888 -7.836 1.00 0.00 H new ATOM 735 N CYS A 969 3.023 -14.849 -3.849 1.00 0.00 N ATOM 736 CA CYS A 969 3.251 -15.418 -2.545 1.00 0.00 C ATOM 737 C CYS A 969 4.518 -16.260 -2.573 1.00 0.00 C ATOM 738 O CYS A 969 4.698 -17.117 -3.451 1.00 0.00 O ATOM 739 CB CYS A 969 2.057 -16.240 -2.077 1.00 0.00 C ATOM 740 SG CYS A 969 1.522 -17.520 -3.233 1.00 0.00 S ATOM 0 H CYS A 969 2.296 -15.306 -4.400 1.00 0.00 H new ATOM 0 HA CYS A 969 3.378 -14.606 -1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.307 -16.710 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.221 -15.567 -1.889 1.00 0.00 H new ATOM 0 HG CYS A 969 2.554 -17.990 -3.868 1.00 0.00 H new ATOM 746 N PRO A 970 5.436 -15.986 -1.649 1.00 0.00 N ATOM 747 CA PRO A 970 6.707 -16.705 -1.554 1.00 0.00 C ATOM 748 C PRO A 970 6.536 -18.046 -0.842 1.00 0.00 C ATOM 749 O PRO A 970 5.477 -18.295 -0.252 1.00 0.00 O ATOM 750 CB PRO A 970 7.537 -15.752 -0.699 1.00 0.00 C ATOM 751 CG PRO A 970 6.543 -15.177 0.232 1.00 0.00 C ATOM 752 CD PRO A 970 5.319 -14.944 -0.607 1.00 0.00 C ATOM 0 HA PRO A 970 7.147 -16.945 -2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.330 -16.277 -0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 970 8.015 -14.981 -1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.333 -15.858 1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 970 6.904 -14.247 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.403 -15.053 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.307 -13.942 -1.036 1.00 0.00 H new ATOM 760 N PRO A 971 7.532 -18.947 -0.920 1.00 0.00 N ATOM 761 CA PRO A 971 7.509 -20.190 -0.152 1.00 0.00 C ATOM 762 C PRO A 971 7.476 -19.887 1.343 1.00 0.00 C ATOM 763 O PRO A 971 8.476 -19.458 1.937 1.00 0.00 O ATOM 764 CB PRO A 971 8.815 -20.895 -0.541 1.00 0.00 C ATOM 765 CG PRO A 971 9.201 -20.283 -1.842 1.00 0.00 C ATOM 766 CD PRO A 971 8.724 -18.861 -1.783 1.00 0.00 C ATOM 0 HA PRO A 971 6.632 -20.802 -0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 971 9.587 -20.743 0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.671 -21.971 -0.637 1.00 0.00 H new ATOM 0 HG2 PRO A 971 10.280 -20.328 -1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 971 8.742 -20.815 -2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 971 9.480 -18.199 -1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.479 -18.476 -2.773 1.00 0.00 H new ATOM 774 N GLY A 972 6.302 -20.028 1.922 1.00 0.00 N ATOM 775 CA GLY A 972 6.116 -19.734 3.308 1.00 0.00 C ATOM 776 C GLY A 972 5.060 -18.673 3.509 1.00 0.00 C ATOM 777 O GLY A 972 4.846 -18.236 4.622 1.00 0.00 O ATOM 0 H GLY A 972 5.462 -20.348 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 972 5.828 -20.641 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 972 7.059 -19.398 3.740 1.00 0.00 H new ATOM 781 N TRP A 973 4.418 -18.223 2.435 1.00 0.00 N ATOM 782 CA TRP A 973 3.343 -17.246 2.552 1.00 0.00 C ATOM 783 C TRP A 973 2.178 -17.563 1.632 1.00 0.00 C ATOM 784 O TRP A 973 2.347 -17.965 0.484 1.00 0.00 O ATOM 785 CB TRP A 973 3.842 -15.807 2.397 1.00 0.00 C ATOM 786 CG TRP A 973 4.599 -15.350 3.598 1.00 0.00 C ATOM 787 CD1 TRP A 973 5.949 -15.330 3.736 1.00 0.00 C ATOM 788 CD2 TRP A 973 4.056 -14.925 4.855 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.283 -14.882 4.989 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.143 -14.625 5.692 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.763 -14.756 5.352 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.978 -14.167 6.996 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.602 -14.312 6.655 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.704 -14.022 7.461 1.00 0.00 C ATOM 0 H TRP A 973 4.622 -18.518 1.480 1.00 0.00 H new ATOM 0 HA TRP A 973 2.960 -17.324 3.570 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.481 -15.737 1.517 1.00 0.00 H new ATOM 0 HB3 TRP A 973 2.993 -15.144 2.229 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.655 -15.623 2.973 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.233 -14.760 5.339 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.904 -14.967 4.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.830 -13.934 7.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.606 -14.188 7.054 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.545 -13.676 8.472 1.00 0.00 H new ATOM 805 N GLU A 974 0.999 -17.403 2.184 1.00 0.00 N ATOM 806 CA GLU A 974 -0.262 -17.719 1.552 1.00 0.00 C ATOM 807 C GLU A 974 -1.111 -16.451 1.518 1.00 0.00 C ATOM 808 O GLU A 974 -1.092 -15.683 2.464 1.00 0.00 O ATOM 809 CB GLU A 974 -0.916 -18.809 2.418 1.00 0.00 C ATOM 810 CG GLU A 974 -2.359 -19.142 2.128 1.00 0.00 C ATOM 811 CD GLU A 974 -2.552 -19.892 0.823 1.00 0.00 C ATOM 812 OE1 GLU A 974 -1.950 -19.512 -0.206 1.00 0.00 O ATOM 813 OE2 GLU A 974 -3.288 -20.899 0.808 1.00 0.00 O ATOM 0 H GLU A 974 0.886 -17.033 3.128 1.00 0.00 H new ATOM 0 HA GLU A 974 -0.148 -18.076 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 974 -0.330 -19.722 2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.843 -18.502 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -2.758 -19.742 2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -2.938 -18.219 2.098 1.00 0.00 H new ATOM 820 N TRP A 975 -1.780 -16.164 0.430 1.00 0.00 N ATOM 821 CA TRP A 975 -2.672 -15.013 0.422 1.00 0.00 C ATOM 822 C TRP A 975 -4.002 -15.367 1.064 1.00 0.00 C ATOM 823 O TRP A 975 -4.836 -16.040 0.449 1.00 0.00 O ATOM 824 CB TRP A 975 -2.888 -14.459 -0.990 1.00 0.00 C ATOM 825 CG TRP A 975 -1.644 -13.946 -1.613 1.00 0.00 C ATOM 826 CD1 TRP A 975 -1.031 -14.439 -2.710 1.00 0.00 C ATOM 827 CD2 TRP A 975 -0.854 -12.840 -1.166 1.00 0.00 C ATOM 828 NE1 TRP A 975 0.090 -13.713 -2.982 1.00 0.00 N ATOM 829 CE2 TRP A 975 0.231 -12.726 -2.045 1.00 0.00 C ATOM 830 CE3 TRP A 975 -0.959 -11.940 -0.108 1.00 0.00 C ATOM 831 CZ2 TRP A 975 1.210 -11.746 -1.897 1.00 0.00 C ATOM 832 CZ3 TRP A 975 0.009 -10.966 0.037 1.00 0.00 C ATOM 833 CH2 TRP A 975 1.083 -10.877 -0.852 1.00 0.00 C ATOM 0 H TRP A 975 -1.733 -16.689 -0.443 1.00 0.00 H new ATOM 0 HA TRP A 975 -2.193 -14.228 1.007 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.306 -15.243 -1.621 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.624 -13.656 -0.950 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.378 -15.284 -3.287 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.725 -13.880 -3.763 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -1.783 -12.003 0.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 2.040 -11.676 -2.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.065 -10.261 0.852 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.826 -10.107 -0.710 1.00 0.00 H new ATOM 844 N GLU A 976 -4.174 -14.974 2.325 1.00 0.00 N ATOM 845 CA GLU A 976 -5.435 -15.211 3.010 1.00 0.00 C ATOM 846 C GLU A 976 -6.473 -14.215 2.510 1.00 0.00 C ATOM 847 O GLU A 976 -7.675 -14.504 2.469 1.00 0.00 O ATOM 848 CB GLU A 976 -5.318 -15.104 4.544 1.00 0.00 C ATOM 849 CG GLU A 976 -5.014 -13.708 5.081 1.00 0.00 C ATOM 850 CD GLU A 976 -5.338 -13.577 6.556 1.00 0.00 C ATOM 851 OE1 GLU A 976 -6.512 -13.796 6.929 1.00 0.00 O ATOM 852 OE2 GLU A 976 -4.456 -13.220 7.358 1.00 0.00 O ATOM 0 H GLU A 976 -3.465 -14.497 2.883 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.737 -16.234 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -6.251 -15.450 4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -4.534 -15.783 4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -3.960 -13.481 4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -5.588 -12.972 4.518 1.00 0.00 H new ATOM 859 N ASP A 977 -6.002 -13.031 2.146 1.00 0.00 N ATOM 860 CA ASP A 977 -6.867 -11.972 1.664 1.00 0.00 C ATOM 861 C ASP A 977 -7.258 -12.225 0.218 1.00 0.00 C ATOM 862 O ASP A 977 -6.472 -12.774 -0.553 1.00 0.00 O ATOM 863 CB ASP A 977 -6.154 -10.629 1.778 1.00 0.00 C ATOM 864 CG ASP A 977 -7.067 -9.462 1.502 1.00 0.00 C ATOM 865 OD1 ASP A 977 -7.339 -9.168 0.333 1.00 0.00 O ATOM 866 OD2 ASP A 977 -7.534 -8.823 2.462 1.00 0.00 O ATOM 0 H ASP A 977 -5.014 -12.781 2.177 1.00 0.00 H new ATOM 0 HA ASP A 977 -7.770 -11.954 2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.735 -10.528 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -5.318 -10.605 1.078 1.00 0.00 H new ATOM 871 N ASP A 978 -8.463 -11.830 -0.136 1.00 0.00 N ATOM 872 CA ASP A 978 -9.009 -12.018 -1.473 1.00 0.00 C ATOM 873 C ASP A 978 -8.342 -11.154 -2.548 1.00 0.00 C ATOM 874 O ASP A 978 -7.966 -11.676 -3.600 1.00 0.00 O ATOM 875 CB ASP A 978 -10.513 -11.761 -1.446 1.00 0.00 C ATOM 876 CG ASP A 978 -11.156 -11.843 -2.809 1.00 0.00 C ATOM 877 OD1 ASP A 978 -11.157 -12.936 -3.414 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.729 -10.834 -3.270 1.00 0.00 O ATOM 0 H ASP A 978 -9.104 -11.361 0.504 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.799 -13.050 -1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.987 -12.486 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.699 -10.774 -1.023 1.00 0.00 H new ATOM 883 N ALA A 979 -8.144 -9.867 -2.287 1.00 0.00 N ATOM 884 CA ALA A 979 -7.635 -8.954 -3.308 1.00 0.00 C ATOM 885 C ALA A 979 -7.189 -7.634 -2.705 1.00 0.00 C ATOM 886 O ALA A 979 -7.669 -7.214 -1.646 1.00 0.00 O ATOM 887 CB ALA A 979 -8.697 -8.693 -4.371 1.00 0.00 C ATOM 0 H ALA A 979 -8.327 -9.432 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.770 -9.433 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -8.300 -8.011 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.976 -9.634 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -9.576 -8.247 -3.905 1.00 0.00 H new ATOM 893 N TRP A 980 -6.302 -6.960 -3.411 1.00 0.00 N ATOM 894 CA TRP A 980 -5.778 -5.701 -2.937 1.00 0.00 C ATOM 895 C TRP A 980 -6.865 -4.659 -3.021 1.00 0.00 C ATOM 896 O TRP A 980 -7.402 -4.380 -4.094 1.00 0.00 O ATOM 897 CB TRP A 980 -4.551 -5.243 -3.706 1.00 0.00 C ATOM 898 CG TRP A 980 -3.406 -6.197 -3.643 1.00 0.00 C ATOM 899 CD1 TRP A 980 -3.318 -7.437 -4.204 1.00 0.00 C ATOM 900 CD2 TRP A 980 -2.161 -5.961 -2.994 1.00 0.00 C ATOM 901 NE1 TRP A 980 -2.094 -7.988 -3.935 1.00 0.00 N ATOM 902 CE2 TRP A 980 -1.363 -7.098 -3.198 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.647 -4.896 -2.259 1.00 0.00 C ATOM 904 CZ2 TRP A 980 -0.078 -7.199 -2.693 1.00 0.00 C ATOM 905 CZ3 TRP A 980 -0.370 -4.995 -1.753 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.401 -6.138 -1.974 1.00 0.00 C ATOM 0 H TRP A 980 -5.932 -7.265 -4.311 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.458 -5.841 -1.904 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.825 -5.089 -4.750 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -4.229 -4.278 -3.315 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -4.099 -7.914 -4.777 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.779 -8.911 -4.235 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -2.239 -4.009 -2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.523 -8.081 -2.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.040 -4.178 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.400 -6.186 -1.567 1.00 0.00 H new ATOM 917 N SER A 981 -7.198 -4.109 -1.889 1.00 0.00 N ATOM 918 CA SER A 981 -8.292 -3.171 -1.783 1.00 0.00 C ATOM 919 C SER A 981 -7.757 -1.905 -1.144 1.00 0.00 C ATOM 920 O SER A 981 -6.870 -1.988 -0.326 1.00 0.00 O ATOM 921 CB SER A 981 -9.394 -3.806 -0.934 1.00 0.00 C ATOM 922 OG SER A 981 -9.756 -5.079 -1.462 1.00 0.00 O ATOM 0 H SER A 981 -6.720 -4.295 -1.007 1.00 0.00 H new ATOM 0 HA SER A 981 -8.712 -2.924 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 981 -9.051 -3.916 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 981 -10.266 -3.153 -0.911 1.00 0.00 H new ATOM 0 HG SER A 981 -9.018 -5.710 -1.329 1.00 0.00 H new ATOM 928 N TYR A 982 -8.283 -0.752 -1.471 1.00 0.00 N ATOM 929 CA TYR A 982 -7.722 0.481 -0.937 1.00 0.00 C ATOM 930 C TYR A 982 -8.087 0.634 0.524 1.00 0.00 C ATOM 931 O TYR A 982 -9.223 0.382 0.935 1.00 0.00 O ATOM 932 CB TYR A 982 -8.143 1.704 -1.759 1.00 0.00 C ATOM 933 CG TYR A 982 -9.614 1.785 -2.038 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.175 0.956 -2.988 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.432 2.678 -1.367 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.520 1.010 -3.275 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.779 2.743 -1.646 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.317 1.910 -2.602 1.00 0.00 C ATOM 939 OH TYR A 982 -13.662 1.974 -2.885 1.00 0.00 O ATOM 0 H TYR A 982 -9.084 -0.632 -2.092 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.636 0.418 -1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.836 2.606 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.606 1.692 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.548 0.253 -3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.009 3.330 -0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -11.946 0.354 -4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.410 3.443 -1.118 1.00 0.00 H new ATOM 0 HH TYR A 982 -14.082 2.659 -2.324 1.00 0.00 H new ATOM 949 N ASP A 983 -7.098 1.022 1.292 1.00 0.00 N ATOM 950 CA ASP A 983 -7.199 1.077 2.736 1.00 0.00 C ATOM 951 C ASP A 983 -7.735 2.411 3.191 1.00 0.00 C ATOM 952 O ASP A 983 -7.208 3.462 2.826 1.00 0.00 O ATOM 953 CB ASP A 983 -5.829 0.810 3.347 1.00 0.00 C ATOM 954 CG ASP A 983 -5.778 1.017 4.844 1.00 0.00 C ATOM 955 OD1 ASP A 983 -6.682 0.535 5.559 1.00 0.00 O ATOM 956 OD2 ASP A 983 -4.818 1.658 5.323 1.00 0.00 O ATOM 0 H ASP A 983 -6.189 1.312 0.931 1.00 0.00 H new ATOM 0 HA ASP A 983 -7.899 0.311 3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.534 -0.215 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.097 1.464 2.874 1.00 0.00 H new ATOM 961 N ILE A 984 -8.786 2.352 3.983 1.00 0.00 N ATOM 962 CA ILE A 984 -9.441 3.532 4.498 1.00 0.00 C ATOM 963 C ILE A 984 -9.429 3.526 6.024 1.00 0.00 C ATOM 964 O ILE A 984 -10.115 4.310 6.682 1.00 0.00 O ATOM 965 CB ILE A 984 -10.882 3.685 3.919 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.687 2.367 3.924 1.00 0.00 C ATOM 967 CG2 ILE A 984 -10.822 4.244 2.507 1.00 0.00 C ATOM 968 CD1 ILE A 984 -12.105 1.854 5.286 1.00 0.00 C ATOM 0 H ILE A 984 -9.211 1.476 4.288 1.00 0.00 H new ATOM 0 HA ILE A 984 -8.881 4.407 4.168 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.406 4.378 4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -12.583 2.508 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.090 1.597 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -11.833 4.347 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.338 5.220 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.252 3.566 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -12.663 0.925 5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -11.219 1.671 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -12.734 2.596 5.777 1.00 0.00 H new ATOM 980 N ASN A 985 -8.573 2.682 6.578 1.00 0.00 N ATOM 981 CA ASN A 985 -8.461 2.497 8.026 1.00 0.00 C ATOM 982 C ASN A 985 -7.422 3.469 8.596 1.00 0.00 C ATOM 983 O ASN A 985 -6.977 3.347 9.730 1.00 0.00 O ATOM 984 CB ASN A 985 -8.054 1.034 8.302 1.00 0.00 C ATOM 985 CG ASN A 985 -8.159 0.591 9.754 1.00 0.00 C ATOM 986 OD1 ASN A 985 -7.218 0.709 10.533 1.00 0.00 O ATOM 987 ND2 ASN A 985 -9.299 0.041 10.120 1.00 0.00 N ATOM 0 H ASN A 985 -7.931 2.101 6.038 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.416 2.704 8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -8.679 0.380 7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -7.026 0.892 7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -9.417 -0.301 11.074 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -10.063 -0.043 9.450 1.00 0.00 H new ATOM 994 N ARG A 986 -7.082 4.488 7.830 1.00 0.00 N ATOM 995 CA ARG A 986 -6.035 5.438 8.190 1.00 0.00 C ATOM 996 C ARG A 986 -6.493 6.818 7.755 1.00 0.00 C ATOM 997 O ARG A 986 -7.631 6.961 7.295 1.00 0.00 O ATOM 998 CB ARG A 986 -4.668 5.121 7.537 1.00 0.00 C ATOM 999 CG ARG A 986 -3.799 4.094 8.262 1.00 0.00 C ATOM 1000 CD ARG A 986 -4.323 2.672 8.167 1.00 0.00 C ATOM 1001 NE ARG A 986 -3.461 1.730 8.876 1.00 0.00 N ATOM 1002 CZ ARG A 986 -2.831 0.709 8.300 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -3.051 0.429 7.018 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -2.023 -0.062 9.019 1.00 0.00 N ATOM 0 H ARG A 986 -7.525 4.685 6.933 1.00 0.00 H new ATOM 0 HA ARG A 986 -5.881 5.378 9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -4.847 4.764 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -4.104 6.050 7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -2.791 4.128 7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -3.722 4.374 9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -5.330 2.627 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -4.396 2.380 7.119 1.00 0.00 H new ATOM 0 HE ARG A 986 -3.333 1.864 9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -3.703 0.997 6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -2.568 -0.354 6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -1.886 0.129 10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -1.540 -0.845 8.579 1.00 0.00 H new ATOM 1018 N ALA A 987 -5.638 7.817 7.919 1.00 0.00 N ATOM 1019 CA ALA A 987 -5.953 9.179 7.509 1.00 0.00 C ATOM 1020 C ALA A 987 -5.896 9.315 5.989 1.00 0.00 C ATOM 1021 O ALA A 987 -4.856 9.660 5.413 1.00 0.00 O ATOM 1022 CB ALA A 987 -5.025 10.182 8.178 1.00 0.00 C ATOM 0 H ALA A 987 -4.714 7.709 8.336 1.00 0.00 H new ATOM 0 HA ALA A 987 -6.971 9.399 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.284 11.190 7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.132 10.111 9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -3.994 9.965 7.900 1.00 0.00 H new ATOM 1028 N VAL A 988 -7.002 8.959 5.361 1.00 0.00 N ATOM 1029 CA VAL A 988 -7.182 9.008 3.919 1.00 0.00 C ATOM 1030 C VAL A 988 -8.603 9.480 3.641 1.00 0.00 C ATOM 1031 O VAL A 988 -9.323 9.844 4.575 1.00 0.00 O ATOM 1032 CB VAL A 988 -6.958 7.624 3.244 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -5.500 7.188 3.316 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -7.848 6.567 3.877 1.00 0.00 C ATOM 0 H VAL A 988 -7.826 8.617 5.855 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.442 9.690 3.501 1.00 0.00 H new ATOM 0 HB VAL A 988 -7.224 7.732 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -5.386 6.217 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -4.875 7.922 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -5.194 7.113 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -7.676 5.607 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -7.615 6.483 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -8.893 6.852 3.757 1.00 0.00 H new ATOM 1044 N ASP A 989 -9.022 9.436 2.392 1.00 0.00 N ATOM 1045 CA ASP A 989 -10.329 9.918 1.960 1.00 0.00 C ATOM 1046 C ASP A 989 -11.191 8.684 1.729 1.00 0.00 C ATOM 1047 O ASP A 989 -10.735 7.571 2.000 1.00 0.00 O ATOM 1048 CB ASP A 989 -10.179 10.714 0.652 1.00 0.00 C ATOM 1049 CG ASP A 989 -11.422 11.488 0.239 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -11.624 12.627 0.715 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -12.222 10.973 -0.567 1.00 0.00 O ATOM 0 H ASP A 989 -8.457 9.058 1.631 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.780 10.575 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -9.350 11.413 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -9.912 10.025 -0.149 1.00 0.00 H new ATOM 1056 N GLU A 990 -12.389 8.857 1.186 1.00 0.00 N ATOM 1057 CA GLU A 990 -13.320 7.757 0.961 1.00 0.00 C ATOM 1058 C GLU A 990 -12.725 6.691 0.076 1.00 0.00 C ATOM 1059 O GLU A 990 -12.986 5.498 0.234 1.00 0.00 O ATOM 1060 CB GLU A 990 -14.549 8.272 0.242 1.00 0.00 C ATOM 1061 CG GLU A 990 -15.426 9.137 1.087 1.00 0.00 C ATOM 1062 CD GLU A 990 -16.604 9.661 0.303 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -17.486 8.854 -0.065 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -16.654 10.874 0.008 1.00 0.00 O ATOM 0 H GLU A 990 -12.744 9.766 0.888 1.00 0.00 H new ATOM 0 HA GLU A 990 -13.558 7.339 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -14.235 8.837 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -15.130 7.423 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -15.783 8.568 1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -14.846 9.973 1.478 1.00 0.00 H new ATOM 1071 N LYS A 991 -11.936 7.125 -0.872 1.00 0.00 N ATOM 1072 CA LYS A 991 -11.372 6.198 -1.807 1.00 0.00 C ATOM 1073 C LYS A 991 -9.890 5.977 -1.543 1.00 0.00 C ATOM 1074 O LYS A 991 -9.194 5.361 -2.358 1.00 0.00 O ATOM 1075 CB LYS A 991 -11.546 6.745 -3.211 1.00 0.00 C ATOM 1076 CG LYS A 991 -12.958 7.192 -3.517 1.00 0.00 C ATOM 1077 CD LYS A 991 -13.023 7.876 -4.860 1.00 0.00 C ATOM 1078 CE LYS A 991 -14.360 8.551 -5.057 1.00 0.00 C ATOM 1079 NZ LYS A 991 -14.385 9.333 -6.313 1.00 0.00 N ATOM 0 H LYS A 991 -11.674 8.101 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 991 -11.887 5.244 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -10.869 7.588 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -11.253 5.979 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -13.627 6.331 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -13.306 7.873 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -12.224 8.614 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -12.859 7.146 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -15.150 7.800 -5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -14.567 9.208 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -15.315 9.785 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -13.646 10.064 -6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -14.211 8.700 -7.120 1.00 0.00 H new ATOM 1093 N GLY A 992 -9.391 6.486 -0.437 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.982 6.423 -0.195 1.00 0.00 C ATOM 1095 C GLY A 992 -7.457 7.796 -0.495 1.00 0.00 C ATOM 1096 O GLY A 992 -7.943 8.739 0.076 1.00 0.00 O ATOM 0 H GLY A 992 -9.938 6.940 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.774 6.141 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -7.509 5.675 -0.831 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.532 7.889 -1.421 1.00 0.00 N ATOM 1101 CA TRP A 993 -6.009 9.158 -1.947 1.00 0.00 C ATOM 1102 C TRP A 993 -5.517 10.127 -0.875 1.00 0.00 C ATOM 1103 O TRP A 993 -6.283 10.866 -0.259 1.00 0.00 O ATOM 1104 CB TRP A 993 -7.026 9.856 -2.848 1.00 0.00 C ATOM 1105 CG TRP A 993 -7.437 9.045 -4.033 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.707 8.693 -4.380 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -6.575 8.466 -5.018 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -8.686 7.961 -5.537 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -7.393 7.817 -5.952 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -5.191 8.449 -5.209 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -6.879 7.164 -7.062 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -4.677 7.794 -6.308 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -5.522 7.165 -7.224 1.00 0.00 C ATOM 0 H TRP A 993 -6.101 7.070 -1.850 1.00 0.00 H new ATOM 0 HA TRP A 993 -5.136 8.873 -2.534 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.912 10.099 -2.261 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -6.604 10.800 -3.194 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -9.597 8.953 -3.826 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -9.505 7.584 -6.013 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -4.534 8.941 -4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -7.527 6.673 -7.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -3.608 7.767 -6.462 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -5.093 6.667 -8.081 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.224 10.136 -0.693 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.592 10.984 0.292 1.00 0.00 C ATOM 1126 C GLU A 994 -3.037 12.246 -0.360 1.00 0.00 C ATOM 1127 O GLU A 994 -2.606 12.238 -1.525 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.414 10.273 0.943 1.00 0.00 C ATOM 1129 CG GLU A 994 -2.675 8.856 1.388 1.00 0.00 C ATOM 1130 CD GLU A 994 -1.449 8.228 2.029 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -0.495 7.880 1.302 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -1.407 8.100 3.273 1.00 0.00 O ATOM 0 H GLU A 994 -3.574 9.555 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.353 11.230 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -1.582 10.267 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -2.095 10.854 1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -3.502 8.845 2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -2.983 8.257 0.531 1.00 0.00 H new ATOM 1139 N TYR A 995 -3.053 13.293 0.450 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.553 14.634 0.164 1.00 0.00 C ATOM 1141 C TYR A 995 -1.044 14.628 -0.018 1.00 0.00 C ATOM 1142 O TYR A 995 -0.311 14.583 0.942 1.00 0.00 O ATOM 1143 CB TYR A 995 -2.999 15.530 1.350 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.352 16.903 1.560 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -1.206 17.037 2.331 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -2.920 18.063 1.060 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -0.644 18.268 2.583 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -2.360 19.302 1.297 1.00 0.00 C ATOM 1149 CZ TYR A 995 -1.223 19.398 2.063 1.00 0.00 C ATOM 1150 OH TYR A 995 -0.664 20.629 2.306 1.00 0.00 O ATOM 0 H TYR A 995 -3.442 13.226 1.390 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.957 15.019 -0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.073 15.690 1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -2.846 14.957 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -0.743 16.153 2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -3.823 17.996 0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 995 0.248 18.344 3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -2.813 20.191 0.883 1.00 0.00 H new ATOM 0 HH TYR A 995 0.305 20.532 2.416 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.587 14.568 -1.249 1.00 0.00 N ATOM 1161 CA GLY A 996 0.834 14.675 -1.480 1.00 0.00 C ATOM 1162 C GLY A 996 1.178 15.867 -2.334 1.00 0.00 C ATOM 1163 O GLY A 996 0.986 15.864 -3.540 1.00 0.00 O ATOM 0 H GLY A 996 -1.161 14.449 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.352 14.752 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.192 13.766 -1.964 1.00 0.00 H new ATOM 1167 N ILE A 997 1.668 16.923 -1.758 1.00 0.00 N ATOM 1168 CA ILE A 997 2.019 18.033 -2.602 1.00 0.00 C ATOM 1169 C ILE A 997 3.526 18.117 -2.641 1.00 0.00 C ATOM 1170 O ILE A 997 4.197 17.777 -1.668 1.00 0.00 O ATOM 1171 CB ILE A 997 1.393 19.381 -2.145 1.00 0.00 C ATOM 1172 CG1 ILE A 997 2.369 20.158 -1.249 1.00 0.00 C ATOM 1173 CG2 ILE A 997 0.067 19.133 -1.436 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.746 21.272 -0.426 1.00 0.00 C ATOM 0 H ILE A 997 1.830 17.043 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 997 1.610 17.858 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 997 1.197 19.992 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 997 2.853 19.455 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 997 3.151 20.586 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -0.361 20.085 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -0.622 18.633 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 997 0.234 18.503 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 997 2.517 21.758 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 997 1.288 22.003 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 997 0.985 20.855 0.234 1.00 0.00 H new ATOM 1186 N THR A 998 4.061 18.463 -3.770 1.00 0.00 N ATOM 1187 CA THR A 998 5.481 18.578 -3.892 1.00 0.00 C ATOM 1188 C THR A 998 5.793 19.814 -4.722 1.00 0.00 C ATOM 1189 O THR A 998 5.220 19.994 -5.802 1.00 0.00 O ATOM 1190 CB THR A 998 6.024 17.317 -4.578 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.422 16.156 -3.984 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.535 17.221 -4.455 1.00 0.00 C ATOM 0 H THR A 998 3.537 18.671 -4.620 1.00 0.00 H new ATOM 0 HA THR A 998 5.950 18.675 -2.913 1.00 0.00 H new ATOM 0 HB THR A 998 5.774 17.373 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.125 15.544 -4.690 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.884 16.316 -4.952 1.00 0.00 H new ATOM 0 HG22 THR A 998 7.994 18.092 -4.923 1.00 0.00 H new ATOM 0 HG23 THR A 998 7.813 17.186 -3.402 1.00 0.00 H new ATOM 1200 N ILE A 999 6.645 20.671 -4.208 1.00 0.00 N ATOM 1201 CA ILE A 999 7.019 21.885 -4.918 1.00 0.00 C ATOM 1202 C ILE A 999 8.377 21.656 -5.579 1.00 0.00 C ATOM 1203 O ILE A 999 9.414 21.750 -4.924 1.00 0.00 O ATOM 1204 CB ILE A 999 7.081 23.151 -4.004 1.00 0.00 C ATOM 1205 CG1 ILE A 999 5.751 23.432 -3.280 1.00 0.00 C ATOM 1206 CG2 ILE A 999 7.458 24.378 -4.824 1.00 0.00 C ATOM 1207 CD1 ILE A 999 5.448 22.532 -2.097 1.00 0.00 C ATOM 0 H ILE A 999 7.096 20.555 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 999 6.243 22.086 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 999 7.839 22.945 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 999 5.757 24.466 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 999 4.939 23.341 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 999 7.497 25.252 -4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 999 8.434 24.223 -5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 999 6.712 24.538 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 999 4.490 22.815 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 999 5.403 21.495 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 999 6.233 22.638 -1.349 1.00 0.00 H new ATOM 1219 N PRO A1000 8.385 21.315 -6.879 1.00 0.00 N ATOM 1220 CA PRO A1000 9.606 20.930 -7.585 1.00 0.00 C ATOM 1221 C PRO A1000 10.572 22.090 -7.840 1.00 0.00 C ATOM 1222 O PRO A1000 10.145 23.214 -8.133 1.00 0.00 O ATOM 1223 CB PRO A1000 9.090 20.344 -8.897 1.00 0.00 C ATOM 1224 CG PRO A1000 7.788 21.025 -9.136 1.00 0.00 C ATOM 1225 CD PRO A1000 7.214 21.338 -7.778 1.00 0.00 C ATOM 0 HA PRO A1000 10.198 20.234 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A1000 9.788 20.529 -9.714 1.00 0.00 H new ATOM 0 HB3 PRO A1000 8.963 19.264 -8.824 1.00 0.00 H new ATOM 0 HG2 PRO A1000 7.928 21.936 -9.718 1.00 0.00 H new ATOM 0 HG3 PRO A1000 7.114 20.384 -9.704 1.00 0.00 H new ATOM 0 HD2 PRO A1000 6.722 22.311 -7.767 1.00 0.00 H new ATOM 0 HD3 PRO A1000 6.468 20.601 -7.481 1.00 0.00 H new ATOM 1233 N PRO A1001 11.887 21.837 -7.703 1.00 0.00 N ATOM 1234 CA PRO A1001 12.411 20.544 -7.277 1.00 0.00 C ATOM 1235 C PRO A1001 12.337 20.402 -5.773 1.00 0.00 C ATOM 1236 O PRO A1001 12.317 21.396 -5.037 1.00 0.00 O ATOM 1237 CB PRO A1001 13.869 20.542 -7.728 1.00 0.00 C ATOM 1238 CG PRO A1001 14.086 21.843 -8.415 1.00 0.00 C ATOM 1239 CD PRO A1001 12.975 22.769 -7.987 1.00 0.00 C ATOM 0 HA PRO A1001 11.840 19.718 -7.702 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.541 20.433 -6.877 1.00 0.00 H new ATOM 0 HB3 PRO A1001 14.069 19.707 -8.400 1.00 0.00 H new ATOM 0 HG2 PRO A1001 15.057 22.260 -8.149 1.00 0.00 H new ATOM 0 HG3 PRO A1001 14.081 21.711 -9.497 1.00 0.00 H new ATOM 0 HD2 PRO A1001 13.249 23.355 -7.109 1.00 0.00 H new ATOM 0 HD3 PRO A1001 12.710 23.477 -8.772 1.00 0.00 H new ATOM 1247 N ASP A1002 12.305 19.180 -5.324 1.00 0.00 N ATOM 1248 CA ASP A1002 12.121 18.895 -3.913 1.00 0.00 C ATOM 1249 C ASP A1002 12.630 17.488 -3.611 1.00 0.00 C ATOM 1250 O ASP A1002 13.715 17.108 -4.053 1.00 0.00 O ATOM 1251 CB ASP A1002 10.628 19.063 -3.559 1.00 0.00 C ATOM 1252 CG ASP A1002 10.345 19.034 -2.071 1.00 0.00 C ATOM 1253 OD1 ASP A1002 10.590 20.038 -1.379 1.00 0.00 O ATOM 1254 OD2 ASP A1002 9.880 17.989 -1.574 1.00 0.00 O ATOM 0 H ASP A1002 12.404 18.353 -5.913 1.00 0.00 H new ATOM 0 HA ASP A1002 12.693 19.590 -3.298 1.00 0.00 H new ATOM 0 HB2 ASP A1002 10.271 20.008 -3.969 1.00 0.00 H new ATOM 0 HB3 ASP A1002 10.058 18.270 -4.043 1.00 0.00 H new ATOM 1259 N HIS A1003 11.856 16.724 -2.878 1.00 0.00 N ATOM 1260 CA HIS A1003 12.249 15.415 -2.424 1.00 0.00 C ATOM 1261 C HIS A1003 11.043 14.570 -2.077 1.00 0.00 C ATOM 1262 O HIS A1003 10.961 13.415 -2.495 1.00 0.00 O ATOM 1263 CB HIS A1003 13.235 15.515 -1.236 1.00 0.00 C ATOM 1264 CG HIS A1003 12.879 16.530 -0.178 1.00 0.00 C ATOM 1265 ND1 HIS A1003 13.497 17.757 -0.096 1.00 0.00 N ATOM 1266 CD2 HIS A1003 11.980 16.503 0.834 1.00 0.00 C ATOM 1267 CE1 HIS A1003 12.996 18.438 0.912 1.00 0.00 C ATOM 1268 NE2 HIS A1003 12.077 17.700 1.493 1.00 0.00 N ATOM 0 H HIS A1003 10.922 17.000 -2.577 1.00 0.00 H new ATOM 0 HA HIS A1003 12.768 14.917 -3.243 1.00 0.00 H new ATOM 0 HB2 HIS A1003 13.308 14.535 -0.764 1.00 0.00 H new ATOM 0 HB3 HIS A1003 14.224 15.755 -1.627 1.00 0.00 H new ATOM 0 HD2 HIS A1003 11.312 15.690 1.076 1.00 0.00 H new ATOM 0 HE1 HIS A1003 13.290 19.433 1.211 1.00 0.00 H new ATOM 0 HE2 HIS A1003 11.524 17.975 2.305 1.00 0.00 H new ATOM 1277 N LYS A1004 10.084 15.138 -1.360 1.00 0.00 N ATOM 1278 CA LYS A1004 8.973 14.338 -0.888 1.00 0.00 C ATOM 1279 C LYS A1004 7.888 15.261 -0.384 1.00 0.00 C ATOM 1280 O LYS A1004 8.202 16.332 0.151 1.00 0.00 O ATOM 1281 CB LYS A1004 9.414 13.462 0.270 1.00 0.00 C ATOM 1282 CG LYS A1004 8.651 12.163 0.423 1.00 0.00 C ATOM 1283 CD LYS A1004 9.252 11.344 1.544 1.00 0.00 C ATOM 1284 CE LYS A1004 8.533 10.023 1.738 1.00 0.00 C ATOM 1285 NZ LYS A1004 9.086 9.268 2.884 1.00 0.00 N ATOM 0 H LYS A1004 10.054 16.124 -1.100 1.00 0.00 H new ATOM 0 HA LYS A1004 8.612 13.715 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A1004 10.472 13.231 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A1004 9.317 14.033 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A1004 7.602 12.370 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A1004 8.684 11.599 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A1004 10.304 11.155 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A1004 9.213 11.916 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A1004 7.471 10.206 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A1004 8.619 9.424 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 8.372 8.598 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 9.932 8.745 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 9.343 9.930 3.644 1.00 0.00 H new ATOM 1299 N PRO A1005 6.618 14.906 -0.549 1.00 0.00 N ATOM 1300 CA PRO A1005 5.550 15.600 0.147 1.00 0.00 C ATOM 1301 C PRO A1005 5.689 15.386 1.639 1.00 0.00 C ATOM 1302 O PRO A1005 5.784 14.242 2.100 1.00 0.00 O ATOM 1303 CB PRO A1005 4.297 14.903 -0.343 1.00 0.00 C ATOM 1304 CG PRO A1005 4.687 14.312 -1.642 1.00 0.00 C ATOM 1305 CD PRO A1005 6.107 13.880 -1.461 1.00 0.00 C ATOM 0 HA PRO A1005 5.549 16.675 -0.035 1.00 0.00 H new ATOM 0 HB2 PRO A1005 3.968 14.137 0.359 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.471 15.605 -0.458 1.00 0.00 H new ATOM 0 HG2 PRO A1005 4.047 13.468 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.596 15.039 -2.449 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.179 12.880 -1.033 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.653 13.863 -2.404 1.00 0.00 H new ATOM 1313 N LYS A1006 5.753 16.466 2.383 1.00 0.00 N ATOM 1314 CA LYS A1006 5.897 16.369 3.825 1.00 0.00 C ATOM 1315 C LYS A1006 4.624 15.849 4.500 1.00 0.00 C ATOM 1316 O LYS A1006 4.650 14.817 5.168 1.00 0.00 O ATOM 1317 CB LYS A1006 6.359 17.717 4.416 1.00 0.00 C ATOM 1318 CG LYS A1006 5.462 18.907 4.095 1.00 0.00 C ATOM 1319 CD LYS A1006 5.980 20.191 4.725 1.00 0.00 C ATOM 1320 CE LYS A1006 4.983 21.323 4.549 1.00 0.00 C ATOM 1321 NZ LYS A1006 5.465 22.605 5.120 1.00 0.00 N ATOM 0 H LYS A1006 5.708 17.418 2.021 1.00 0.00 H new ATOM 0 HA LYS A1006 6.672 15.631 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A1006 6.428 17.616 5.499 1.00 0.00 H new ATOM 0 HB3 LYS A1006 7.364 17.931 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A1006 5.398 19.033 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A1006 4.452 18.708 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A1006 6.169 20.029 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A1006 6.932 20.466 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A1006 4.776 21.458 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A1006 4.041 21.049 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 4.747 23.343 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 5.637 22.488 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 6.349 22.884 4.649 1.00 0.00 H new ATOM 1335 N SER A1007 3.530 16.557 4.325 1.00 0.00 N ATOM 1336 CA SER A1007 2.285 16.186 4.952 1.00 0.00 C ATOM 1337 C SER A1007 1.398 15.401 3.993 1.00 0.00 C ATOM 1338 O SER A1007 1.497 15.558 2.782 1.00 0.00 O ATOM 1339 CB SER A1007 1.581 17.453 5.455 1.00 0.00 C ATOM 1340 OG SER A1007 0.376 17.171 6.152 1.00 0.00 O ATOM 0 H SER A1007 3.480 17.398 3.750 1.00 0.00 H new ATOM 0 HA SER A1007 2.490 15.532 5.800 1.00 0.00 H new ATOM 0 HB2 SER A1007 2.256 18.002 6.112 1.00 0.00 H new ATOM 0 HB3 SER A1007 1.362 18.103 4.608 1.00 0.00 H new ATOM 0 HG SER A1007 -0.032 18.010 6.453 1.00 0.00 H new ATOM 1346 N TRP A1008 0.588 14.532 4.587 1.00 0.00 N ATOM 1347 CA TRP A1008 -0.429 13.730 3.910 1.00 0.00 C ATOM 1348 C TRP A1008 -1.678 13.752 4.776 1.00 0.00 C ATOM 1349 O TRP A1008 -1.571 13.756 6.006 1.00 0.00 O ATOM 1350 CB TRP A1008 0.021 12.278 3.705 1.00 0.00 C ATOM 1351 CG TRP A1008 1.306 12.160 2.987 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.528 12.326 3.527 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.505 11.842 1.607 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.472 12.187 2.575 1.00 0.00 N ATOM 1355 CE2 TRP A1008 2.883 11.869 1.382 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.652 11.548 0.542 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.436 11.611 0.129 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.198 11.289 -0.696 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.578 11.322 -0.895 1.00 0.00 C ATOM 0 H TRP A1008 0.622 14.359 5.592 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.613 14.151 2.922 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.110 11.792 4.677 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.748 11.742 3.149 1.00 0.00 H new ATOM 0 HD1 TRP A1008 2.723 12.539 4.568 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.475 12.302 2.722 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.418 11.524 0.686 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.504 11.638 -0.027 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.547 11.057 -1.526 1.00 0.00 H new ATOM 0 HH2 TRP A1008 2.976 11.115 -1.877 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.837 13.740 4.133 1.00 0.00 N ATOM 1371 CA VAL A1009 -4.159 13.801 4.754 1.00 0.00 C ATOM 1372 C VAL A1009 -5.126 13.305 3.687 1.00 0.00 C ATOM 1373 O VAL A1009 -4.685 12.608 2.780 1.00 0.00 O ATOM 1374 CB VAL A1009 -4.598 15.218 5.284 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -3.844 15.628 6.536 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -4.462 16.306 4.234 1.00 0.00 C ATOM 0 H VAL A1009 -2.887 13.685 3.116 1.00 0.00 H new ATOM 0 HA VAL A1009 -4.148 13.192 5.658 1.00 0.00 H new ATOM 0 HB VAL A1009 -5.654 15.111 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -4.184 16.612 6.860 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -4.030 14.901 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -2.776 15.666 6.322 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -4.779 17.260 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -3.422 16.377 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -5.088 16.063 3.375 1.00 0.00 H new ATOM 1386 N ALA A1010 -6.387 13.672 3.734 1.00 0.00 N ATOM 1387 CA ALA A1010 -7.362 13.121 2.801 1.00 0.00 C ATOM 1388 C ALA A1010 -7.728 14.086 1.679 1.00 0.00 C ATOM 1389 O ALA A1010 -7.923 13.678 0.539 1.00 0.00 O ATOM 1390 CB ALA A1010 -8.621 12.764 3.564 1.00 0.00 C ATOM 0 H ALA A1010 -6.766 14.344 4.401 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.907 12.244 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -9.358 12.350 2.876 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -8.385 12.025 4.330 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -9.027 13.659 4.036 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.791 15.360 2.015 1.00 0.00 N ATOM 1397 CA ALA A1011 -8.352 16.387 1.138 1.00 0.00 C ATOM 1398 C ALA A1011 -7.622 16.547 -0.191 1.00 0.00 C ATOM 1399 O ALA A1011 -6.485 17.038 -0.223 1.00 0.00 O ATOM 1400 CB ALA A1011 -8.401 17.722 1.863 1.00 0.00 C ATOM 0 H ALA A1011 -7.454 15.721 2.908 1.00 0.00 H new ATOM 0 HA ALA A1011 -9.357 16.047 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -8.820 18.480 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -9.025 17.631 2.752 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -7.393 18.014 2.156 1.00 0.00 H new ATOM 1406 N GLU A1012 -8.273 16.115 -1.274 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.777 16.338 -2.624 1.00 0.00 C ATOM 1408 C GLU A1012 -7.829 17.833 -2.899 1.00 0.00 C ATOM 1409 O GLU A1012 -8.897 18.439 -2.895 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.617 15.614 -3.685 1.00 0.00 C ATOM 1411 CG GLU A1012 -8.067 15.777 -5.102 1.00 0.00 C ATOM 1412 CD GLU A1012 -6.913 14.862 -5.410 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -5.801 15.114 -4.937 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -7.107 13.907 -6.174 1.00 0.00 O ATOM 0 H GLU A1012 -9.155 15.603 -1.235 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.762 15.944 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.664 14.553 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.638 15.994 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -8.868 15.591 -5.817 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -7.748 16.810 -5.242 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.682 18.407 -3.137 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.556 19.839 -3.295 1.00 0.00 C ATOM 1423 C LYS A1013 -5.957 20.178 -4.638 1.00 0.00 C ATOM 1424 O LYS A1013 -5.273 19.348 -5.235 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.692 20.382 -2.161 1.00 0.00 C ATOM 1426 CG LYS A1013 -6.437 20.460 -0.845 1.00 0.00 C ATOM 1427 CD LYS A1013 -5.510 20.712 0.330 1.00 0.00 C ATOM 1428 CE LYS A1013 -6.295 21.018 1.598 1.00 0.00 C ATOM 1429 NZ LYS A1013 -5.436 21.441 2.737 1.00 0.00 N ATOM 0 H LYS A1013 -5.803 17.898 -3.228 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.543 20.300 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -4.816 19.745 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -5.330 21.375 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -7.178 21.257 -0.897 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -6.981 19.529 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -4.879 19.838 0.492 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -4.847 21.546 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -7.019 21.805 1.387 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -6.861 20.133 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -6.006 21.977 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -5.037 20.601 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -4.663 22.041 2.385 1.00 0.00 H new ATOM 1443 N MET A1014 -6.233 21.380 -5.107 1.00 0.00 N ATOM 1444 CA MET A1014 -5.696 21.869 -6.366 1.00 0.00 C ATOM 1445 C MET A1014 -4.195 21.805 -6.389 1.00 0.00 C ATOM 1446 O MET A1014 -3.635 21.257 -7.332 1.00 0.00 O ATOM 1447 CB MET A1014 -6.122 23.299 -6.612 1.00 0.00 C ATOM 1448 CG MET A1014 -5.586 23.891 -7.908 1.00 0.00 C ATOM 1449 SD MET A1014 -5.942 25.651 -8.092 1.00 0.00 S ATOM 1450 CE MET A1014 -5.160 25.957 -9.679 1.00 0.00 C ATOM 0 H MET A1014 -6.837 22.047 -4.626 1.00 0.00 H new ATOM 0 HA MET A1014 -6.092 21.224 -7.150 1.00 0.00 H new ATOM 0 HB2 MET A1014 -7.211 23.345 -6.627 1.00 0.00 H new ATOM 0 HB3 MET A1014 -5.788 23.915 -5.778 1.00 0.00 H new ATOM 0 HG2 MET A1014 -4.507 23.740 -7.949 1.00 0.00 H new ATOM 0 HG3 MET A1014 -6.016 23.351 -8.751 1.00 0.00 H new ATOM 0 HE1 MET A1014 -5.285 27.005 -9.950 1.00 0.00 H new ATOM 0 HE2 MET A1014 -4.097 25.723 -9.612 1.00 0.00 H new ATOM 0 HE3 MET A1014 -5.623 25.328 -10.440 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.520 22.279 -5.342 1.00 0.00 N ATOM 1461 CA TYR A1015 -2.061 22.224 -5.326 1.00 0.00 C ATOM 1462 C TYR A1015 -1.528 20.818 -5.057 1.00 0.00 C ATOM 1463 O TYR A1015 -0.430 20.639 -4.540 1.00 0.00 O ATOM 1464 CB TYR A1015 -1.479 23.257 -4.333 1.00 0.00 C ATOM 1465 CG TYR A1015 -2.019 23.205 -2.911 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -1.531 22.294 -1.983 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -3.009 24.086 -2.494 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -2.016 22.257 -0.690 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -3.499 24.055 -1.202 1.00 0.00 C ATOM 1470 CZ TYR A1015 -3.000 23.138 -0.304 1.00 0.00 C ATOM 1471 OH TYR A1015 -3.495 23.097 0.984 1.00 0.00 O ATOM 0 H TYR A1015 -3.947 22.695 -4.514 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.721 22.490 -6.327 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -0.398 23.122 -4.293 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -1.661 24.255 -4.732 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -0.757 21.601 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -3.403 24.809 -3.193 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -1.624 21.539 0.015 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -4.270 24.747 -0.898 1.00 0.00 H new ATOM 0 HH TYR A1015 -4.183 23.786 1.092 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.289 19.812 -5.431 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.813 18.443 -5.337 1.00 0.00 C ATOM 1483 C HIS A1016 -0.961 18.093 -6.534 1.00 0.00 C ATOM 1484 O HIS A1016 -1.441 18.097 -7.664 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.975 17.463 -5.195 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.343 17.216 -3.783 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -4.219 16.247 -3.398 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -2.977 17.849 -2.655 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -4.385 16.285 -2.110 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -3.646 17.248 -1.630 1.00 0.00 N ATOM 0 H HIS A1016 -3.234 19.912 -5.801 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.198 18.362 -4.441 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.841 17.853 -5.729 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.708 16.518 -5.668 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -4.677 15.589 -4.028 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -2.286 18.675 -2.576 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -5.025 15.632 -1.535 1.00 0.00 H new ATOM 1499 N THR A1017 0.296 17.805 -6.264 1.00 0.00 N ATOM 1500 CA THR A1017 1.249 17.420 -7.290 1.00 0.00 C ATOM 1501 C THR A1017 1.249 15.894 -7.370 1.00 0.00 C ATOM 1502 O THR A1017 1.544 15.278 -8.386 1.00 0.00 O ATOM 1503 CB THR A1017 2.664 17.877 -6.880 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.623 19.204 -6.329 1.00 0.00 O ATOM 1505 CG2 THR A1017 3.621 17.860 -8.063 1.00 0.00 C ATOM 0 H THR A1017 0.689 17.831 -5.323 1.00 0.00 H new ATOM 0 HA THR A1017 0.978 17.873 -8.244 1.00 0.00 H new ATOM 0 HB THR A1017 3.025 17.175 -6.128 1.00 0.00 H new ATOM 0 HG1 THR A1017 3.172 19.803 -6.877 1.00 0.00 H new ATOM 0 HG21 THR A1017 4.608 18.188 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A1017 3.688 16.848 -8.462 1.00 0.00 H new ATOM 0 HG23 THR A1017 3.253 18.532 -8.838 1.00 0.00 H new ATOM 1513 N HIS A1018 0.948 15.314 -6.235 1.00 0.00 N ATOM 1514 CA HIS A1018 0.946 13.878 -6.034 1.00 0.00 C ATOM 1515 C HIS A1018 -0.242 13.457 -5.192 1.00 0.00 C ATOM 1516 O HIS A1018 -0.858 14.269 -4.497 1.00 0.00 O ATOM 1517 CB HIS A1018 2.234 13.424 -5.319 1.00 0.00 C ATOM 1518 CG HIS A1018 3.468 13.495 -6.157 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.614 14.189 -5.809 1.00 0.00 N ATOM 1520 CD2 HIS A1018 3.729 12.919 -7.338 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.520 14.026 -6.756 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.005 13.260 -7.691 1.00 0.00 N ATOM 0 H HIS A1018 0.690 15.838 -5.399 1.00 0.00 H new ATOM 0 HA HIS A1018 0.887 13.411 -7.017 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.378 14.040 -4.431 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.102 12.398 -4.977 1.00 0.00 H new ATOM 0 HD2 HIS A1018 3.054 12.298 -7.908 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.513 14.450 -6.761 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.481 12.967 -8.544 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.617 12.217 -5.330 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.571 11.600 -4.449 1.00 0.00 C ATOM 1533 C ARG A1019 -1.306 10.126 -4.530 1.00 0.00 C ATOM 1534 O ARG A1019 -0.770 9.658 -5.548 1.00 0.00 O ATOM 1535 CB ARG A1019 -3.019 11.882 -4.857 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.455 11.221 -6.155 1.00 0.00 C ATOM 1537 CD ARG A1019 -4.901 11.546 -6.424 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.437 10.885 -7.618 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.726 10.863 -7.971 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.615 11.671 -7.405 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -7.098 10.077 -8.964 1.00 0.00 N ATOM 0 H ARG A1019 -0.267 11.600 -6.063 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.457 11.999 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -3.679 11.549 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -3.152 12.960 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -2.833 11.570 -6.980 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -3.320 10.141 -6.089 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.497 11.256 -5.559 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -5.008 12.625 -6.537 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.775 10.404 -8.227 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.320 12.328 -6.683 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.593 11.634 -7.692 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -6.407 9.502 -9.446 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -8.077 10.045 -9.250 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.577 9.401 -3.478 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.397 7.962 -3.569 1.00 0.00 C ATOM 1557 C ARG A1020 -2.358 7.247 -2.672 1.00 0.00 C ATOM 1558 O ARG A1020 -2.949 7.847 -1.807 1.00 0.00 O ATOM 1559 CB ARG A1020 0.032 7.553 -3.210 1.00 0.00 C ATOM 1560 CG ARG A1020 0.418 7.953 -1.795 1.00 0.00 C ATOM 1561 CD ARG A1020 1.769 7.408 -1.372 1.00 0.00 C ATOM 1562 NE ARG A1020 2.885 7.940 -2.149 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.075 8.247 -1.633 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.267 8.168 -0.314 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.045 8.694 -2.424 1.00 0.00 N ATOM 0 H ARG A1020 -1.909 9.755 -2.581 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.591 7.679 -4.604 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.135 6.473 -3.319 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.725 8.012 -3.915 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.432 9.040 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A1020 -0.344 7.597 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A1020 1.930 7.637 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A1020 1.758 6.322 -1.465 1.00 0.00 H new ATOM 0 HE ARG A1020 2.745 8.086 -3.149 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.504 7.873 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.177 8.402 0.084 1.00 0.00 H new ATOM 0 HH21 ARG A1020 4.878 8.802 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A1020 5.956 8.929 -2.031 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.537 5.978 -2.887 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.439 5.242 -2.047 1.00 0.00 C ATOM 1581 C ARG A1021 -2.923 3.847 -1.795 1.00 0.00 C ATOM 1582 O ARG A1021 -2.362 3.219 -2.682 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.810 5.230 -2.696 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.847 4.592 -4.073 1.00 0.00 C ATOM 1585 CD ARG A1021 -6.252 4.535 -4.604 1.00 0.00 C ATOM 1586 NE ARG A1021 -6.218 4.343 -6.037 1.00 0.00 N ATOM 1587 CZ ARG A1021 -7.198 3.796 -6.763 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -8.300 3.343 -6.170 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -7.068 3.714 -8.077 1.00 0.00 N ATOM 0 H ARG A1021 -2.081 5.437 -3.622 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.516 5.725 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.503 4.698 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -5.170 6.256 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -4.219 5.161 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -4.433 3.585 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.799 3.720 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.781 5.457 -4.362 1.00 0.00 H new ATOM 0 HE ARG A1021 -5.381 4.649 -6.533 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -8.399 3.412 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -9.045 2.926 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -6.224 4.067 -8.529 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -7.811 3.298 -8.638 1.00 0.00 H new ATOM 1603 N ARG A1022 -3.121 3.364 -0.594 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.657 2.070 -0.216 1.00 0.00 C ATOM 1605 C ARG A1022 -3.617 0.994 -0.668 1.00 0.00 C ATOM 1606 O ARG A1022 -4.818 1.099 -0.429 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.549 2.029 1.287 1.00 0.00 C ATOM 1608 CG ARG A1022 -2.388 0.640 1.860 1.00 0.00 C ATOM 1609 CD ARG A1022 -2.358 0.729 3.354 1.00 0.00 C ATOM 1610 NE ARG A1022 -1.250 1.549 3.753 1.00 0.00 N ATOM 1611 CZ ARG A1022 -1.269 2.467 4.714 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -2.411 2.879 5.250 1.00 0.00 N ATOM 1613 NH2 ARG A1022 -0.132 2.986 5.123 1.00 0.00 N ATOM 0 H ARG A1022 -3.612 3.866 0.146 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.691 1.887 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.699 2.638 1.595 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.441 2.486 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -3.211 0.002 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -1.469 0.185 1.491 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -3.292 1.152 3.724 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -2.265 -0.266 3.788 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.370 1.416 3.255 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -3.296 2.490 4.925 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -2.403 3.585 5.987 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.747 2.683 4.704 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -0.129 3.692 5.860 1.00 0.00 H new ATOM 1627 N LEU A1023 -3.094 -0.005 -1.333 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.836 -1.202 -1.562 1.00 0.00 C ATOM 1629 C LEU A1023 -3.304 -2.199 -0.567 1.00 0.00 C ATOM 1630 O LEU A1023 -2.092 -2.291 -0.360 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.683 -1.746 -2.972 1.00 0.00 C ATOM 1632 CG LEU A1023 -4.163 -0.850 -4.103 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.869 -1.514 -5.440 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.655 -0.588 -3.963 1.00 0.00 C ATOM 0 H LEU A1023 -2.152 -0.005 -1.724 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.901 -1.004 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.629 -1.970 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -4.223 -2.691 -3.033 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.636 0.103 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -4.214 -0.870 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.796 -1.676 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.387 -2.472 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.990 0.055 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -6.196 -1.534 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.850 -0.097 -3.010 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.196 -2.872 0.083 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.825 -3.809 1.128 1.00 0.00 C ATOM 1648 C VAL A1024 -4.087 -5.223 0.730 1.00 0.00 C ATOM 1649 O VAL A1024 -5.078 -5.525 0.061 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.521 -3.567 2.495 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -3.995 -2.326 3.167 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.038 -3.490 2.361 1.00 0.00 C ATOM 0 H VAL A1024 -5.200 -2.799 -0.083 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.757 -3.631 1.257 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.284 -4.428 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.503 -2.186 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -2.924 -2.431 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.177 -1.462 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.482 -3.320 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.303 -2.669 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.415 -4.426 1.950 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.154 -6.065 1.079 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.362 -7.493 0.946 1.00 0.00 C ATOM 1664 C ARG A1025 -2.807 -8.204 2.170 1.00 0.00 C ATOM 1665 O ARG A1025 -1.601 -8.222 2.383 1.00 0.00 O ATOM 1666 CB ARG A1025 -2.666 -8.029 -0.293 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.097 -9.425 -0.705 1.00 0.00 C ATOM 1668 CD ARG A1025 -4.488 -9.428 -1.303 1.00 0.00 C ATOM 1669 NE ARG A1025 -4.897 -10.770 -1.741 1.00 0.00 N ATOM 1670 CZ ARG A1025 -4.596 -11.330 -2.921 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -3.779 -10.716 -3.768 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -5.100 -12.520 -3.235 1.00 0.00 N ATOM 0 H ARG A1025 -2.245 -5.796 1.456 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.433 -7.676 0.856 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -2.851 -7.346 -1.122 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -1.590 -8.032 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -2.388 -9.826 -1.430 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -3.072 -10.084 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.200 -9.055 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -4.519 -8.745 -2.152 1.00 0.00 H new ATOM 0 HE ARG A1025 -5.458 -11.322 -1.092 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -3.376 -9.812 -3.523 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -3.555 -11.148 -4.664 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -5.713 -13.003 -2.579 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -4.873 -12.949 -4.132 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.677 -8.746 2.995 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.242 -9.526 4.149 1.00 0.00 C ATOM 1688 C LYS A1026 -2.630 -10.834 3.667 1.00 0.00 C ATOM 1689 O LYS A1026 -3.080 -11.410 2.670 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.426 -9.837 5.049 1.00 0.00 C ATOM 1691 CG LYS A1026 -4.235 -9.493 6.507 1.00 0.00 C ATOM 1692 CD LYS A1026 -3.184 -10.310 7.189 1.00 0.00 C ATOM 1693 CE LYS A1026 -3.454 -10.280 8.670 1.00 0.00 C ATOM 1694 NZ LYS A1026 -4.723 -10.999 8.977 1.00 0.00 N ATOM 0 H LYS A1026 -4.689 -8.665 2.894 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.506 -8.950 4.710 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -5.297 -9.297 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -4.652 -10.900 4.970 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -3.972 -8.438 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -5.182 -9.628 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -3.201 -11.336 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -2.193 -9.910 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -2.626 -10.743 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -3.520 -9.248 9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -4.720 -11.299 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -5.530 -10.365 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -4.805 -11.835 8.364 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.647 -11.331 4.378 1.00 0.00 N ATOM 1709 CA ARG A1027 -0.984 -12.534 3.957 1.00 0.00 C ATOM 1710 C ARG A1027 -0.698 -13.360 5.164 1.00 0.00 C ATOM 1711 O ARG A1027 -0.171 -12.886 6.133 1.00 0.00 O ATOM 1712 CB ARG A1027 0.283 -12.240 3.129 1.00 0.00 C ATOM 1713 CG ARG A1027 1.296 -11.323 3.789 1.00 0.00 C ATOM 1714 CD ARG A1027 2.357 -10.851 2.809 1.00 0.00 C ATOM 1715 NE ARG A1027 3.220 -11.910 2.313 1.00 0.00 N ATOM 1716 CZ ARG A1027 4.451 -11.665 1.864 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.819 -10.430 1.530 1.00 0.00 N ATOM 1718 NH2 ARG A1027 5.305 -12.658 1.711 1.00 0.00 N ATOM 0 H ARG A1027 -1.293 -10.923 5.243 1.00 0.00 H new ATOM 0 HA ARG A1027 -1.637 -13.094 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.772 -13.186 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.019 -11.796 2.180 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.782 -10.459 4.212 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.774 -11.846 4.617 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.866 -10.370 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.972 -10.093 3.293 1.00 0.00 H new ATOM 0 HE ARG A1027 2.873 -12.869 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A1027 4.156 -9.659 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.764 -10.254 1.188 1.00 0.00 H new ATOM 0 HH21 ARG A1027 5.023 -13.612 1.936 1.00 0.00 H new ATOM 0 HH22 ARG A1027 6.247 -12.472 1.368 1.00 0.00 H new ATOM 1732 N LYS A1028 -1.071 -14.577 5.094 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.972 -15.461 6.200 1.00 0.00 C ATOM 1734 C LYS A1028 -0.116 -16.630 5.811 1.00 0.00 C ATOM 1735 O LYS A1028 -0.284 -17.186 4.766 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.372 -15.887 6.616 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.413 -16.990 7.641 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.836 -17.245 8.098 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.391 -16.055 8.864 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.816 -16.228 9.226 1.00 0.00 N ATOM 0 H LYS A1028 -1.462 -15.002 4.253 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.503 -14.973 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -2.898 -15.019 7.014 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.917 -16.212 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -1.993 -17.902 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -1.794 -16.721 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.467 -17.450 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.864 -18.132 8.730 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -3.805 -15.905 9.771 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.280 -15.154 8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.146 -15.390 9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.382 -16.344 8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -5.922 -17.071 9.825 1.00 0.00 H new ATOM 1754 N LYS A1029 0.774 -17.004 6.679 1.00 0.00 N ATOM 1755 CA LYS A1029 1.688 -18.121 6.438 1.00 0.00 C ATOM 1756 C LYS A1029 0.954 -19.389 6.830 1.00 0.00 C ATOM 1757 O LYS A1029 1.271 -20.509 6.438 1.00 0.00 O ATOM 1758 CB LYS A1029 2.901 -17.958 7.362 1.00 0.00 C ATOM 1759 CG LYS A1029 3.948 -19.044 7.233 1.00 0.00 C ATOM 1760 CD LYS A1029 5.165 -18.760 8.096 1.00 0.00 C ATOM 1761 CE LYS A1029 5.681 -17.357 7.868 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.933 -17.088 8.611 1.00 0.00 N ATOM 0 H LYS A1029 0.902 -16.552 7.584 1.00 0.00 H new ATOM 0 HA LYS A1029 2.010 -18.155 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.369 -16.995 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.552 -17.930 8.394 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.515 -20.002 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.254 -19.132 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A1029 4.907 -18.889 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A1029 5.951 -19.481 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.854 -17.205 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.920 -16.639 8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 7.246 -16.114 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.764 -17.206 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.670 -17.755 8.303 1.00 0.00 H new ATOM 1776 N ASP A1030 -0.007 -19.126 7.695 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.794 -20.091 8.477 1.00 0.00 C ATOM 1778 C ASP A1030 0.094 -20.912 9.420 1.00 0.00 C ATOM 1779 O ASP A1030 -0.384 -21.634 10.287 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.671 -20.985 7.598 1.00 0.00 C ATOM 1781 CG ASP A1030 -2.693 -21.752 8.412 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -3.729 -21.173 8.788 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -2.471 -22.934 8.718 1.00 0.00 O ATOM 0 H ASP A1030 -0.287 -18.165 7.892 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.475 -19.507 9.096 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -2.184 -20.373 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -1.041 -21.687 7.052 1.00 0.00 H new ATOM 1788 N LEU A1031 1.388 -20.680 9.275 1.00 0.00 N ATOM 1789 CA LEU A1031 2.495 -21.329 9.973 1.00 0.00 C ATOM 1790 C LEU A1031 2.742 -22.748 9.456 1.00 0.00 C ATOM 1791 O LEU A1031 3.887 -23.180 9.345 1.00 0.00 O ATOM 1792 CB LEU A1031 2.311 -21.341 11.489 1.00 0.00 C ATOM 1793 CG LEU A1031 3.501 -21.890 12.269 1.00 0.00 C ATOM 1794 CD1 LEU A1031 4.697 -20.958 12.168 1.00 0.00 C ATOM 1795 CD2 LEU A1031 3.127 -22.149 13.713 1.00 0.00 C ATOM 0 H LEU A1031 1.722 -19.978 8.615 1.00 0.00 H new ATOM 0 HA LEU A1031 3.376 -20.726 9.755 1.00 0.00 H new ATOM 0 HB2 LEU A1031 2.111 -20.324 11.826 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.430 -21.936 11.730 1.00 0.00 H new ATOM 0 HG LEU A1031 3.786 -22.843 11.823 1.00 0.00 H new ATOM 0 HD11 LEU A1031 5.531 -21.374 12.733 1.00 0.00 H new ATOM 0 HD12 LEU A1031 4.986 -20.849 11.123 1.00 0.00 H new ATOM 0 HD13 LEU A1031 4.433 -19.982 12.576 1.00 0.00 H new ATOM 0 HD21 LEU A1031 3.992 -22.540 14.248 1.00 0.00 H new ATOM 0 HD22 LEU A1031 2.803 -21.218 14.178 1.00 0.00 H new ATOM 0 HD23 LEU A1031 2.316 -22.876 13.754 1.00 0.00 H new ATOM 1807 N THR A1032 1.681 -23.442 9.071 1.00 0.00 N ATOM 1808 CA THR A1032 1.779 -24.829 8.646 1.00 0.00 C ATOM 1809 C THR A1032 2.532 -24.973 7.314 1.00 0.00 C ATOM 1810 O THR A1032 2.966 -26.067 6.959 1.00 0.00 O ATOM 1811 CB THR A1032 0.372 -25.483 8.560 1.00 0.00 C ATOM 1812 OG1 THR A1032 0.477 -26.910 8.447 1.00 0.00 O ATOM 1813 CG2 THR A1032 -0.420 -24.947 7.375 1.00 0.00 C ATOM 0 H THR A1032 0.735 -23.062 9.045 1.00 0.00 H new ATOM 0 HA THR A1032 2.359 -25.357 9.403 1.00 0.00 H new ATOM 0 HB THR A1032 -0.154 -25.229 9.480 1.00 0.00 H new ATOM 0 HG1 THR A1032 1.325 -27.142 8.015 1.00 0.00 H new ATOM 0 HG21 THR A1032 -1.399 -25.426 7.345 1.00 0.00 H new ATOM 0 HG22 THR A1032 -0.546 -23.869 7.479 1.00 0.00 H new ATOM 0 HG23 THR A1032 0.117 -25.162 6.451 1.00 0.00 H new ATOM 1821 N GLN A1033 2.703 -23.870 6.586 1.00 0.00 N ATOM 1822 CA GLN A1033 3.451 -23.919 5.337 1.00 0.00 C ATOM 1823 C GLN A1033 4.941 -24.094 5.606 1.00 0.00 C ATOM 1824 O GLN A1033 5.640 -24.770 4.852 1.00 0.00 O ATOM 1825 CB GLN A1033 3.204 -22.682 4.473 1.00 0.00 C ATOM 1826 CG GLN A1033 1.803 -22.616 3.886 1.00 0.00 C ATOM 1827 CD GLN A1033 1.619 -21.429 2.963 1.00 0.00 C ATOM 1828 OE1 GLN A1033 2.237 -20.387 3.143 1.00 0.00 O ATOM 1829 NE2 GLN A1033 0.808 -21.588 1.937 1.00 0.00 N ATOM 0 H GLN A1033 2.340 -22.950 6.835 1.00 0.00 H new ATOM 0 HA GLN A1033 3.091 -24.784 4.780 1.00 0.00 H new ATOM 0 HB2 GLN A1033 3.379 -21.789 5.074 1.00 0.00 H new ATOM 0 HB3 GLN A1033 3.930 -22.667 3.660 1.00 0.00 H new ATOM 0 HG2 GLN A1033 1.598 -23.535 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A1033 1.075 -22.560 4.695 1.00 0.00 H new ATOM 0 HE21 GLN A1033 0.307 -22.468 1.814 1.00 0.00 H new ATOM 0 HE22 GLN A1033 0.681 -20.831 1.265 1.00 0.00 H new