USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 936 GLN : amide:sc= 0.373 K(o=1.6,f=0.55) USER MOD Set 1.2: A 953 TYR OH : rot 58:sc= 1.21 USER MOD Set 2.1: A 939 SER OG : rot 180:sc= -0.0108 USER MOD Set 2.2: A 998 THR OG1 : rot 118:sc= 1.29 USER MOD Set 2.3: A1018 HIS : no HD1:sc= 0.158 K(o=1.4,f=-3.1!) USER MOD Set 3.1: A 937 ASN :FLIP amide:sc= -0.306 F(o=-1.1!,f=-0.28) USER MOD Set 3.2: A 954 THR OG1 : rot -103:sc= 0.0224 USER MOD Single : A 927 HIS : no HE2:sc= 1.2 K(o=1.2,f=-5.6!) USER MOD Single : A 928 THR OG1 : rot -150:sc= -1.62! USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot 30:sc= 0 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 USER MOD Single : A 957 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 960 LYS NZ :NH3+ -150:sc= -0.076 (180deg=-0.397) USER MOD Single : A 963 SER OG : rot 82:sc= 0.968 USER MOD Single : A 965 SER OG : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot -75:sc= 0.947 USER MOD Single : A 969 CYS SG : rot 180:sc= 0.018 USER MOD Single : A 981 SER OG : rot 58:sc= 0.216 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.071) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 995 TYR OH : rot -15:sc=-0.00711 USER MOD Single : A1003 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.021) USER MOD Single : A1004 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.14) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ -164:sc= -0.0405 (180deg=-0.354) USER MOD Single : A1014 MET CE :methyl 159:sc= -0.137 (180deg=-0.727) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HE2:sc= -5.5! C(o=-5.5!,f=-13!) USER MOD Single : A1017 THR OG1 : rot -149:sc= 0.975 USER MOD Single : A1026 LYS NZ :NH3+ 174:sc= -0.65! (180deg=-1.35!) USER MOD Single : A1028 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.154!) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1032 THR OG1 : rot -36:sc= 0.715 USER MOD Single : A1033 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -2.263 -17.805 13.672 1.00 0.00 N ATOM 122 CA HIS A 927 -1.826 -17.246 12.408 1.00 0.00 C ATOM 123 C HIS A 927 -0.907 -16.100 12.636 1.00 0.00 C ATOM 124 O HIS A 927 -1.162 -15.234 13.466 1.00 0.00 O ATOM 125 CB HIS A 927 -2.923 -16.670 11.494 1.00 0.00 C ATOM 126 CG HIS A 927 -4.347 -16.944 11.867 1.00 0.00 C ATOM 127 ND1 HIS A 927 -5.028 -18.062 11.460 1.00 0.00 N ATOM 128 CD2 HIS A 927 -5.243 -16.192 12.541 1.00 0.00 C ATOM 129 CE1 HIS A 927 -6.277 -17.990 11.857 1.00 0.00 C ATOM 130 NE2 HIS A 927 -6.444 -16.863 12.514 1.00 0.00 N ATOM 0 HA HIS A 927 -1.376 -18.109 11.917 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -2.789 -15.589 11.448 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -2.759 -17.055 10.488 1.00 0.00 H new ATOM 0 HD1 HIS A 927 -4.625 -18.834 10.929 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -5.052 -15.240 13.014 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -7.040 -18.732 11.675 1.00 0.00 H new ATOM 139 N THR A 928 0.171 -16.128 11.936 1.00 0.00 N ATOM 140 CA THR A 928 0.931 -14.953 11.728 1.00 0.00 C ATOM 141 C THR A 928 0.388 -14.364 10.452 1.00 0.00 C ATOM 142 O THR A 928 0.465 -15.011 9.412 1.00 0.00 O ATOM 143 CB THR A 928 2.391 -15.308 11.524 1.00 0.00 C ATOM 144 OG1 THR A 928 2.459 -16.655 11.030 1.00 0.00 O ATOM 145 CG2 THR A 928 3.198 -15.163 12.801 1.00 0.00 C ATOM 0 H THR A 928 0.548 -16.966 11.493 1.00 0.00 H new ATOM 0 HA THR A 928 0.865 -14.270 12.575 1.00 0.00 H new ATOM 0 HB THR A 928 2.828 -14.616 10.804 1.00 0.00 H new ATOM 0 HG1 THR A 928 3.296 -17.070 11.326 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.237 -15.428 12.607 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.145 -14.132 13.150 1.00 0.00 H new ATOM 0 HG23 THR A 928 2.792 -15.825 13.565 1.00 0.00 H new ATOM 153 N GLU A 929 -0.244 -13.228 10.506 1.00 0.00 N ATOM 154 CA GLU A 929 -0.705 -12.626 9.291 1.00 0.00 C ATOM 155 C GLU A 929 -0.216 -11.179 9.293 1.00 0.00 C ATOM 156 O GLU A 929 -0.367 -10.470 10.292 1.00 0.00 O ATOM 157 CB GLU A 929 -2.239 -12.683 9.127 1.00 0.00 C ATOM 158 CG GLU A 929 -3.052 -11.861 10.084 1.00 0.00 C ATOM 159 CD GLU A 929 -3.150 -12.474 11.459 1.00 0.00 C ATOM 160 OE1 GLU A 929 -3.802 -13.526 11.598 1.00 0.00 O ATOM 161 OE2 GLU A 929 -2.589 -11.910 12.413 1.00 0.00 O ATOM 0 H GLU A 929 -0.449 -12.709 11.360 1.00 0.00 H new ATOM 0 HA GLU A 929 -0.305 -13.184 8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.484 -12.366 8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -2.552 -13.723 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.610 -10.868 10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -4.056 -11.730 9.679 1.00 0.00 H new ATOM 168 N PHE A 930 0.408 -10.743 8.230 1.00 0.00 N ATOM 169 CA PHE A 930 0.921 -9.403 8.142 1.00 0.00 C ATOM 170 C PHE A 930 0.269 -8.751 6.945 1.00 0.00 C ATOM 171 O PHE A 930 0.101 -9.394 5.915 1.00 0.00 O ATOM 172 CB PHE A 930 2.449 -9.472 7.991 1.00 0.00 C ATOM 173 CG PHE A 930 3.151 -8.155 7.809 1.00 0.00 C ATOM 174 CD1 PHE A 930 3.324 -7.289 8.877 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.652 -7.793 6.568 1.00 0.00 C ATOM 176 CE1 PHE A 930 3.981 -6.085 8.711 1.00 0.00 C ATOM 177 CE2 PHE A 930 4.312 -6.592 6.398 1.00 0.00 C ATOM 178 CZ PHE A 930 4.476 -5.738 7.471 1.00 0.00 C ATOM 0 H PHE A 930 0.575 -11.310 7.399 1.00 0.00 H new ATOM 0 HA PHE A 930 0.700 -8.816 9.034 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.860 -9.962 8.874 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.682 -10.107 7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.941 -7.558 9.850 1.00 0.00 H new ATOM 0 HD2 PHE A 930 3.525 -8.457 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 930 4.107 -5.417 9.550 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.700 -6.321 5.427 1.00 0.00 H new ATOM 0 HZ PHE A 930 4.992 -4.798 7.339 1.00 0.00 H new ATOM 188 N THR A 931 -0.182 -7.533 7.100 1.00 0.00 N ATOM 189 CA THR A 931 -0.764 -6.821 5.991 1.00 0.00 C ATOM 190 C THR A 931 0.332 -6.445 5.006 1.00 0.00 C ATOM 191 O THR A 931 1.286 -5.747 5.364 1.00 0.00 O ATOM 192 CB THR A 931 -1.498 -5.556 6.472 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.405 -5.911 7.523 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.269 -4.906 5.330 1.00 0.00 C ATOM 0 H THR A 931 -0.158 -7.015 7.978 1.00 0.00 H new ATOM 0 HA THR A 931 -1.493 -7.467 5.502 1.00 0.00 H new ATOM 0 HB THR A 931 -0.761 -4.841 6.838 1.00 0.00 H new ATOM 0 HG1 THR A 931 -2.874 -5.109 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 931 -2.779 -4.015 5.696 1.00 0.00 H new ATOM 0 HG22 THR A 931 -1.577 -4.628 4.536 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.004 -5.610 4.940 1.00 0.00 H new ATOM 202 N ASP A 932 0.187 -6.870 3.771 1.00 0.00 N ATOM 203 CA ASP A 932 1.199 -6.543 2.788 1.00 0.00 C ATOM 204 C ASP A 932 0.638 -5.351 2.043 1.00 0.00 C ATOM 205 O ASP A 932 -0.583 -5.148 2.044 1.00 0.00 O ATOM 206 CB ASP A 932 1.509 -7.701 1.831 1.00 0.00 C ATOM 207 CG ASP A 932 2.856 -7.547 1.138 1.00 0.00 C ATOM 208 OD1 ASP A 932 3.351 -6.411 0.982 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.478 -8.573 0.789 1.00 0.00 O ATOM 0 H ASP A 932 -0.596 -7.426 3.428 1.00 0.00 H new ATOM 0 HA ASP A 932 2.154 -6.330 3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.496 -8.639 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.723 -7.765 1.078 1.00 0.00 H new ATOM 214 N GLU A 933 1.470 -4.558 1.438 1.00 0.00 N ATOM 215 CA GLU A 933 1.031 -3.314 0.886 1.00 0.00 C ATOM 216 C GLU A 933 1.945 -2.877 -0.244 1.00 0.00 C ATOM 217 O GLU A 933 3.079 -3.353 -0.364 1.00 0.00 O ATOM 218 CB GLU A 933 1.062 -2.281 1.993 1.00 0.00 C ATOM 219 CG GLU A 933 2.462 -1.959 2.482 1.00 0.00 C ATOM 220 CD GLU A 933 2.464 -0.985 3.619 1.00 0.00 C ATOM 221 OE1 GLU A 933 2.396 -1.430 4.785 1.00 0.00 O ATOM 222 OE2 GLU A 933 2.532 0.237 3.365 1.00 0.00 O ATOM 0 H GLU A 933 2.463 -4.753 1.314 1.00 0.00 H new ATOM 0 HA GLU A 933 0.024 -3.422 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 933 0.590 -1.365 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 933 0.467 -2.641 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.954 -2.880 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 933 3.046 -1.551 1.657 1.00 0.00 H new ATOM 229 N VAL A 934 1.427 -2.014 -1.082 1.00 0.00 N ATOM 230 CA VAL A 934 2.213 -1.340 -2.093 1.00 0.00 C ATOM 231 C VAL A 934 1.484 -0.095 -2.506 1.00 0.00 C ATOM 232 O VAL A 934 0.284 -0.109 -2.743 1.00 0.00 O ATOM 233 CB VAL A 934 2.548 -2.217 -3.323 1.00 0.00 C ATOM 234 CG1 VAL A 934 1.301 -2.778 -3.994 1.00 0.00 C ATOM 235 CG2 VAL A 934 3.398 -1.458 -4.335 1.00 0.00 C ATOM 0 H VAL A 934 0.440 -1.755 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 934 3.180 -1.099 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 934 3.127 -3.061 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 934 1.591 -3.386 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 934 0.751 -3.393 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 934 0.668 -1.957 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 934 3.614 -2.104 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.856 -0.577 -4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 934 4.333 -1.150 -3.867 1.00 0.00 H new ATOM 245 N TYR A 935 2.192 0.985 -2.533 1.00 0.00 N ATOM 246 CA TYR A 935 1.612 2.245 -2.862 1.00 0.00 C ATOM 247 C TYR A 935 1.509 2.420 -4.352 1.00 0.00 C ATOM 248 O TYR A 935 2.329 1.933 -5.129 1.00 0.00 O ATOM 249 CB TYR A 935 2.410 3.373 -2.240 1.00 0.00 C ATOM 250 CG TYR A 935 2.144 3.545 -0.760 1.00 0.00 C ATOM 251 CD1 TYR A 935 2.664 2.665 0.176 1.00 0.00 C ATOM 252 CD2 TYR A 935 1.343 4.585 -0.307 1.00 0.00 C ATOM 253 CE1 TYR A 935 2.389 2.815 1.520 1.00 0.00 C ATOM 254 CE2 TYR A 935 1.071 4.744 1.036 1.00 0.00 C ATOM 255 CZ TYR A 935 1.593 3.854 1.945 1.00 0.00 C ATOM 256 OH TYR A 935 1.315 3.999 3.281 1.00 0.00 O ATOM 0 H TYR A 935 3.190 1.019 -2.327 1.00 0.00 H new ATOM 0 HA TYR A 935 0.602 2.272 -2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 935 3.473 3.185 -2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 935 2.174 4.304 -2.756 1.00 0.00 H new ATOM 0 HD1 TYR A 935 3.293 1.850 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 935 0.926 5.282 -1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 935 2.798 2.118 2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 935 0.452 5.563 1.372 1.00 0.00 H new ATOM 0 HH TYR A 935 2.063 3.651 3.810 1.00 0.00 H new ATOM 266 N GLN A 936 0.514 3.165 -4.715 1.00 0.00 N ATOM 267 CA GLN A 936 0.220 3.453 -6.077 1.00 0.00 C ATOM 268 C GLN A 936 0.161 4.950 -6.153 1.00 0.00 C ATOM 269 O GLN A 936 -0.556 5.576 -5.373 1.00 0.00 O ATOM 270 CB GLN A 936 -1.118 2.853 -6.488 1.00 0.00 C ATOM 271 CG GLN A 936 -1.395 2.948 -7.977 1.00 0.00 C ATOM 272 CD GLN A 936 -2.788 2.481 -8.309 1.00 0.00 C ATOM 273 OE1 GLN A 936 -3.025 1.299 -8.537 1.00 0.00 O ATOM 274 NE2 GLN A 936 -3.715 3.405 -8.397 1.00 0.00 N ATOM 0 H GLN A 936 -0.130 3.599 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 936 0.969 3.030 -6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -1.144 1.805 -6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -1.916 3.360 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -1.267 3.979 -8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -0.668 2.346 -8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.484 4.379 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -4.666 3.149 -8.662 1.00 0.00 H new ATOM 283 N ASN A 937 0.928 5.514 -7.035 1.00 0.00 N ATOM 284 CA ASN A 937 0.978 6.950 -7.172 1.00 0.00 C ATOM 285 C ASN A 937 0.662 7.379 -8.581 1.00 0.00 C ATOM 286 O ASN A 937 0.975 6.691 -9.555 1.00 0.00 O ATOM 287 CB ASN A 937 2.277 7.624 -6.670 1.00 0.00 C ATOM 288 CG ASN A 937 3.611 7.125 -7.187 1.00 0.00 C ATOM 289 OD1 ASN A 937 3.790 5.843 -7.341 1.00 0.00 O flip ATOM 290 ND2 ASN A 937 4.535 7.920 -7.348 1.00 0.00 N flip ATOM 0 H ASN A 937 1.534 5.004 -7.678 1.00 0.00 H new ATOM 0 HA ASN A 937 0.200 7.309 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.209 8.686 -6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.293 7.539 -5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 937 4.375 8.920 -7.223 1.00 0.00 H new ATOM 0 HD22 ASN A 937 5.461 7.580 -7.607 1.00 0.00 H new ATOM 297 N GLU A 938 0.015 8.513 -8.645 1.00 0.00 N ATOM 298 CA GLU A 938 -0.435 9.152 -9.858 1.00 0.00 C ATOM 299 C GLU A 938 -0.158 10.628 -9.666 1.00 0.00 C ATOM 300 O GLU A 938 -0.049 11.086 -8.521 1.00 0.00 O ATOM 301 CB GLU A 938 -1.916 8.825 -10.065 1.00 0.00 C ATOM 302 CG GLU A 938 -2.109 7.493 -10.780 1.00 0.00 C ATOM 303 CD GLU A 938 -3.534 6.990 -10.800 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.346 7.514 -11.579 1.00 0.00 O ATOM 305 OE2 GLU A 938 -3.849 6.028 -10.056 1.00 0.00 O ATOM 0 H GLU A 938 -0.226 9.045 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 938 0.076 8.808 -10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.420 8.795 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -2.386 9.620 -10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -1.758 7.593 -11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -1.480 6.743 -10.300 1.00 0.00 H new ATOM 312 N SER A 939 0.040 11.362 -10.734 1.00 0.00 N ATOM 313 CA SER A 939 0.467 12.730 -10.626 1.00 0.00 C ATOM 314 C SER A 939 -0.302 13.632 -11.579 1.00 0.00 C ATOM 315 O SER A 939 -0.747 13.202 -12.645 1.00 0.00 O ATOM 316 CB SER A 939 1.963 12.803 -10.908 1.00 0.00 C ATOM 317 OG SER A 939 2.665 11.862 -10.106 1.00 0.00 O ATOM 0 H SER A 939 -0.089 11.031 -11.690 1.00 0.00 H new ATOM 0 HA SER A 939 0.263 13.084 -9.616 1.00 0.00 H new ATOM 0 HB2 SER A 939 2.151 12.603 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 939 2.329 13.809 -10.704 1.00 0.00 H new ATOM 0 HG SER A 939 3.624 11.919 -10.299 1.00 0.00 H new ATOM 323 N ARG A 940 -0.456 14.863 -11.147 1.00 0.00 N ATOM 324 CA ARG A 940 -1.158 15.896 -11.860 1.00 0.00 C ATOM 325 C ARG A 940 -0.486 17.218 -11.566 1.00 0.00 C ATOM 326 O ARG A 940 0.299 17.308 -10.622 1.00 0.00 O ATOM 327 CB ARG A 940 -2.611 15.995 -11.412 1.00 0.00 C ATOM 328 CG ARG A 940 -2.798 16.411 -9.959 1.00 0.00 C ATOM 329 CD ARG A 940 -4.215 16.882 -9.739 1.00 0.00 C ATOM 330 NE ARG A 940 -4.363 17.653 -8.515 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.537 17.991 -7.981 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.661 17.465 -8.453 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.581 18.831 -6.960 1.00 0.00 N ATOM 0 H ARG A 940 -0.079 15.180 -10.254 1.00 0.00 H new ATOM 0 HA ARG A 940 -1.135 15.657 -12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -3.127 16.712 -12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -3.091 15.029 -11.565 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.578 15.571 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -2.097 17.207 -9.706 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -4.528 17.490 -10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.880 16.019 -9.703 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.515 17.954 -8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -6.628 16.800 -9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -7.558 17.725 -8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -4.717 19.220 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.479 19.090 -6.551 1.00 0.00 H new ATOM 347 N TYR A 941 -0.723 18.219 -12.393 1.00 0.00 N ATOM 348 CA TYR A 941 -0.274 19.570 -12.054 1.00 0.00 C ATOM 349 C TYR A 941 -1.104 19.983 -10.844 1.00 0.00 C ATOM 350 O TYR A 941 -2.157 19.378 -10.625 1.00 0.00 O ATOM 351 CB TYR A 941 -0.593 20.572 -13.166 1.00 0.00 C ATOM 352 CG TYR A 941 -0.498 20.023 -14.571 1.00 0.00 C ATOM 353 CD1 TYR A 941 0.722 19.811 -15.199 1.00 0.00 C ATOM 354 CD2 TYR A 941 -1.658 19.711 -15.266 1.00 0.00 C ATOM 355 CE1 TYR A 941 0.779 19.298 -16.484 1.00 0.00 C ATOM 356 CE2 TYR A 941 -1.610 19.202 -16.546 1.00 0.00 C ATOM 357 CZ TYR A 941 -0.392 18.996 -17.150 1.00 0.00 C ATOM 358 OH TYR A 941 -0.349 18.474 -18.424 1.00 0.00 O ATOM 0 H TYR A 941 -1.211 18.134 -13.285 1.00 0.00 H new ATOM 0 HA TYR A 941 0.803 19.567 -11.887 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -1.601 20.955 -13.010 1.00 0.00 H new ATOM 0 HB3 TYR A 941 0.087 21.419 -13.077 1.00 0.00 H new ATOM 0 HD1 TYR A 941 1.638 20.049 -14.679 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -2.617 19.870 -14.795 1.00 0.00 H new ATOM 0 HE1 TYR A 941 1.734 19.135 -16.962 1.00 0.00 H new ATOM 0 HE2 TYR A 941 -2.524 18.966 -17.071 1.00 0.00 H new ATOM 0 HH TYR A 941 -1.262 18.319 -18.745 1.00 0.00 H new ATOM 368 N PRO A 942 -0.682 20.957 -10.025 1.00 0.00 N ATOM 369 CA PRO A 942 -1.539 21.465 -8.953 1.00 0.00 C ATOM 370 C PRO A 942 -2.817 22.069 -9.534 1.00 0.00 C ATOM 371 O PRO A 942 -2.863 23.261 -9.862 1.00 0.00 O ATOM 372 CB PRO A 942 -0.696 22.546 -8.277 1.00 0.00 C ATOM 373 CG PRO A 942 0.713 22.260 -8.679 1.00 0.00 C ATOM 374 CD PRO A 942 0.642 21.603 -10.033 1.00 0.00 C ATOM 0 HA PRO A 942 -1.850 20.684 -8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -1.002 23.541 -8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -0.810 22.513 -7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 942 1.299 23.178 -8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 942 1.199 21.606 -7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 942 0.730 22.331 -10.839 1.00 0.00 H new ATOM 0 HD3 PRO A 942 1.443 20.877 -10.171 1.00 0.00 H new ATOM 382 N GLY A 943 -3.812 21.223 -9.761 1.00 0.00 N ATOM 383 CA GLY A 943 -5.020 21.627 -10.420 1.00 0.00 C ATOM 384 C GLY A 943 -5.016 20.964 -11.785 1.00 0.00 C ATOM 385 O GLY A 943 -4.765 21.619 -12.800 1.00 0.00 O ATOM 0 H GLY A 943 -3.793 20.240 -9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -5.895 21.323 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -5.064 22.712 -10.517 1.00 0.00 H new ATOM 389 N GLY A 944 -5.257 19.655 -11.829 1.00 0.00 N ATOM 390 CA GLY A 944 -5.099 18.939 -13.074 1.00 0.00 C ATOM 391 C GLY A 944 -5.714 17.547 -13.060 1.00 0.00 C ATOM 392 O GLY A 944 -6.694 17.295 -12.359 1.00 0.00 O ATOM 0 H GLY A 944 -5.554 19.089 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -5.553 19.519 -13.877 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -4.037 18.855 -13.303 1.00 0.00 H new ATOM 396 N ASP A 945 -5.045 16.648 -13.757 1.00 0.00 N ATOM 397 CA ASP A 945 -5.551 15.287 -14.002 1.00 0.00 C ATOM 398 C ASP A 945 -4.501 14.249 -13.630 1.00 0.00 C ATOM 399 O ASP A 945 -3.377 14.322 -14.129 1.00 0.00 O ATOM 400 CB ASP A 945 -5.935 15.154 -15.482 1.00 0.00 C ATOM 401 CG ASP A 945 -6.661 13.868 -15.817 1.00 0.00 C ATOM 402 OD1 ASP A 945 -7.860 13.750 -15.479 1.00 0.00 O ATOM 403 OD2 ASP A 945 -6.090 12.984 -16.474 1.00 0.00 O ATOM 0 H ASP A 945 -4.132 16.829 -14.175 1.00 0.00 H new ATOM 0 HA ASP A 945 -6.429 15.112 -13.381 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -6.566 15.998 -15.760 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -5.031 15.218 -16.088 1.00 0.00 H new ATOM 408 N TRP A 946 -4.830 13.309 -12.737 1.00 0.00 N ATOM 409 CA TRP A 946 -3.878 12.313 -12.314 1.00 0.00 C ATOM 410 C TRP A 946 -3.700 11.322 -13.431 1.00 0.00 C ATOM 411 O TRP A 946 -4.668 10.864 -14.031 1.00 0.00 O ATOM 412 CB TRP A 946 -4.353 11.552 -11.079 1.00 0.00 C ATOM 413 CG TRP A 946 -4.771 12.398 -9.943 1.00 0.00 C ATOM 414 CD1 TRP A 946 -6.032 12.696 -9.553 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.899 13.033 -9.026 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.988 13.489 -8.444 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.692 13.715 -8.101 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.523 13.092 -8.910 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -4.147 14.452 -7.057 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.983 13.819 -7.888 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.786 14.490 -6.971 1.00 0.00 C ATOM 0 H TRP A 946 -5.749 13.229 -12.302 1.00 0.00 H new ATOM 0 HA TRP A 946 -2.947 12.822 -12.066 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -5.190 10.914 -11.364 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -3.550 10.894 -10.746 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -6.933 12.359 -10.043 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.801 13.855 -7.949 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.888 12.574 -9.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.772 14.971 -6.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.909 13.874 -7.789 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.322 15.053 -6.174 1.00 0.00 H new ATOM 432 N LYS A 947 -2.477 10.970 -13.673 1.00 0.00 N ATOM 433 CA LYS A 947 -2.106 10.034 -14.700 1.00 0.00 C ATOM 434 C LYS A 947 -0.979 9.266 -14.060 1.00 0.00 C ATOM 435 O LYS A 947 -0.476 9.753 -13.055 1.00 0.00 O ATOM 436 CB LYS A 947 -1.666 10.763 -15.984 1.00 0.00 C ATOM 437 CG LYS A 947 -2.773 11.607 -16.595 1.00 0.00 C ATOM 438 CD LYS A 947 -2.379 12.222 -17.921 1.00 0.00 C ATOM 439 CE LYS A 947 -3.548 12.994 -18.505 1.00 0.00 C ATOM 440 NZ LYS A 947 -3.266 13.485 -19.872 1.00 0.00 N ATOM 0 H LYS A 947 -1.681 11.334 -13.149 1.00 0.00 H new ATOM 0 HA LYS A 947 -2.923 9.388 -15.022 1.00 0.00 H new ATOM 0 HB2 LYS A 947 -0.812 11.401 -15.759 1.00 0.00 H new ATOM 0 HB3 LYS A 947 -1.330 10.028 -16.716 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -3.659 10.988 -16.736 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -3.045 12.400 -15.899 1.00 0.00 H new ATOM 0 HD2 LYS A 947 -1.526 12.887 -17.783 1.00 0.00 H new ATOM 0 HD3 LYS A 947 -2.066 11.441 -18.614 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -4.430 12.354 -18.525 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -3.782 13.839 -17.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -4.091 14.006 -20.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 -2.440 14.117 -19.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -3.068 12.678 -20.497 1.00 0.00 H new ATOM 454 N PRO A 948 -0.576 8.091 -14.553 1.00 0.00 N ATOM 455 CA PRO A 948 0.468 7.294 -13.899 1.00 0.00 C ATOM 456 C PRO A 948 1.722 8.096 -13.552 1.00 0.00 C ATOM 457 O PRO A 948 2.187 8.935 -14.332 1.00 0.00 O ATOM 458 CB PRO A 948 0.788 6.216 -14.933 1.00 0.00 C ATOM 459 CG PRO A 948 -0.469 6.066 -15.711 1.00 0.00 C ATOM 460 CD PRO A 948 -1.089 7.431 -15.762 1.00 0.00 C ATOM 0 HA PRO A 948 0.127 6.906 -12.939 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.619 6.513 -15.573 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.074 5.279 -14.455 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.265 5.693 -16.714 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -1.139 5.350 -15.235 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -0.800 7.969 -16.665 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -2.178 7.377 -15.758 1.00 0.00 H new ATOM 468 N ALA A 949 2.224 7.844 -12.352 1.00 0.00 N ATOM 469 CA ALA A 949 3.471 8.447 -11.897 1.00 0.00 C ATOM 470 C ALA A 949 4.642 7.965 -12.760 1.00 0.00 C ATOM 471 O ALA A 949 4.470 7.231 -13.744 1.00 0.00 O ATOM 472 CB ALA A 949 3.715 8.109 -10.445 1.00 0.00 C ATOM 0 H ALA A 949 1.785 7.223 -11.672 1.00 0.00 H new ATOM 0 HA ALA A 949 3.391 9.530 -11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.649 8.565 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.893 8.491 -9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 949 3.779 7.027 -10.329 1.00 0.00 H new ATOM 478 N GLU A 950 5.834 8.321 -12.357 1.00 0.00 N ATOM 479 CA GLU A 950 7.018 7.958 -13.102 1.00 0.00 C ATOM 480 C GLU A 950 7.413 6.557 -12.667 1.00 0.00 C ATOM 481 O GLU A 950 7.818 5.722 -13.478 1.00 0.00 O ATOM 482 CB GLU A 950 8.154 8.990 -12.930 1.00 0.00 C ATOM 483 CG GLU A 950 8.623 9.267 -11.503 1.00 0.00 C ATOM 484 CD GLU A 950 7.563 9.870 -10.612 1.00 0.00 C ATOM 485 OE1 GLU A 950 7.438 11.106 -10.552 1.00 0.00 O ATOM 486 OE2 GLU A 950 6.810 9.105 -9.980 1.00 0.00 O ATOM 0 H GLU A 950 6.014 8.865 -11.513 1.00 0.00 H new ATOM 0 HA GLU A 950 6.811 7.961 -14.172 1.00 0.00 H new ATOM 0 HB2 GLU A 950 9.012 8.650 -13.510 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.826 9.932 -13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.969 8.334 -11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 950 9.479 9.940 -11.538 1.00 0.00 H new ATOM 493 N ASP A 951 7.204 6.297 -11.387 1.00 0.00 N ATOM 494 CA ASP A 951 7.321 4.969 -10.817 1.00 0.00 C ATOM 495 C ASP A 951 5.979 4.682 -10.177 1.00 0.00 C ATOM 496 O ASP A 951 5.712 5.156 -9.076 1.00 0.00 O ATOM 497 CB ASP A 951 8.447 4.851 -9.765 1.00 0.00 C ATOM 498 CG ASP A 951 9.838 5.101 -10.315 1.00 0.00 C ATOM 499 OD1 ASP A 951 10.296 4.329 -11.185 1.00 0.00 O ATOM 500 OD2 ASP A 951 10.510 6.060 -9.866 1.00 0.00 O ATOM 0 H ASP A 951 6.945 7.013 -10.708 1.00 0.00 H new ATOM 0 HA ASP A 951 7.583 4.255 -11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 951 8.253 5.560 -8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 951 8.416 3.854 -9.325 1.00 0.00 H new ATOM 505 N THR A 952 5.119 3.963 -10.891 1.00 0.00 N ATOM 506 CA THR A 952 3.722 3.777 -10.492 1.00 0.00 C ATOM 507 C THR A 952 3.578 3.071 -9.137 1.00 0.00 C ATOM 508 O THR A 952 2.809 3.521 -8.275 1.00 0.00 O ATOM 509 CB THR A 952 2.932 3.004 -11.574 1.00 0.00 C ATOM 510 OG1 THR A 952 3.120 3.621 -12.857 1.00 0.00 O ATOM 511 CG2 THR A 952 1.441 2.981 -11.258 1.00 0.00 C ATOM 0 H THR A 952 5.367 3.492 -11.761 1.00 0.00 H new ATOM 0 HA THR A 952 3.303 4.777 -10.385 1.00 0.00 H new ATOM 0 HB THR A 952 3.308 1.981 -11.589 1.00 0.00 H new ATOM 0 HG1 THR A 952 2.618 3.124 -13.536 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.913 2.431 -12.036 1.00 0.00 H new ATOM 0 HG22 THR A 952 1.280 2.494 -10.296 1.00 0.00 H new ATOM 0 HG23 THR A 952 1.062 4.002 -11.215 1.00 0.00 H new ATOM 519 N TYR A 953 4.262 1.959 -8.956 1.00 0.00 N ATOM 520 CA TYR A 953 4.227 1.278 -7.682 1.00 0.00 C ATOM 521 C TYR A 953 5.486 1.529 -6.875 1.00 0.00 C ATOM 522 O TYR A 953 6.613 1.332 -7.341 1.00 0.00 O ATOM 523 CB TYR A 953 3.915 -0.200 -7.869 1.00 0.00 C ATOM 524 CG TYR A 953 2.486 -0.371 -8.326 1.00 0.00 C ATOM 525 CD1 TYR A 953 1.454 -0.384 -7.402 1.00 0.00 C ATOM 526 CD2 TYR A 953 2.166 -0.471 -9.671 1.00 0.00 C ATOM 527 CE1 TYR A 953 0.142 -0.495 -7.807 1.00 0.00 C ATOM 528 CE2 TYR A 953 0.854 -0.590 -10.083 1.00 0.00 C ATOM 529 CZ TYR A 953 -0.152 -0.599 -9.146 1.00 0.00 C ATOM 530 OH TYR A 953 -1.462 -0.717 -9.548 1.00 0.00 O ATOM 0 H TYR A 953 4.842 1.514 -9.667 1.00 0.00 H new ATOM 0 HA TYR A 953 3.413 1.697 -7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 953 4.595 -0.634 -8.602 1.00 0.00 H new ATOM 0 HB3 TYR A 953 4.073 -0.735 -6.933 1.00 0.00 H new ATOM 0 HD1 TYR A 953 1.681 -0.306 -6.349 1.00 0.00 H new ATOM 0 HD2 TYR A 953 2.955 -0.456 -10.408 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -0.653 -0.500 -7.076 1.00 0.00 H new ATOM 0 HE2 TYR A 953 0.619 -0.675 -11.134 1.00 0.00 H new ATOM 0 HH TYR A 953 -1.975 0.051 -9.221 1.00 0.00 H new ATOM 540 N THR A 954 5.268 1.988 -5.665 1.00 0.00 N ATOM 541 CA THR A 954 6.317 2.409 -4.767 1.00 0.00 C ATOM 542 C THR A 954 6.081 1.865 -3.378 1.00 0.00 C ATOM 543 O THR A 954 5.010 1.365 -3.060 1.00 0.00 O ATOM 544 CB THR A 954 6.385 3.949 -4.719 1.00 0.00 C ATOM 545 OG1 THR A 954 5.065 4.509 -4.614 1.00 0.00 O ATOM 546 CG2 THR A 954 7.087 4.511 -5.947 1.00 0.00 C ATOM 0 H THR A 954 4.333 2.081 -5.268 1.00 0.00 H new ATOM 0 HA THR A 954 7.264 2.018 -5.138 1.00 0.00 H new ATOM 0 HB THR A 954 6.963 4.226 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.788 4.860 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 954 7.118 5.599 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 954 8.104 4.121 -5.995 1.00 0.00 H new ATOM 0 HG23 THR A 954 6.542 4.216 -6.844 1.00 0.00 H new ATOM 554 N ASP A 955 7.105 1.939 -2.579 1.00 0.00 N ATOM 555 CA ASP A 955 7.025 1.617 -1.176 1.00 0.00 C ATOM 556 C ASP A 955 6.696 2.938 -0.492 1.00 0.00 C ATOM 557 O ASP A 955 6.745 3.973 -1.166 1.00 0.00 O ATOM 558 CB ASP A 955 8.381 1.054 -0.724 1.00 0.00 C ATOM 559 CG ASP A 955 8.462 0.723 0.748 1.00 0.00 C ATOM 560 OD1 ASP A 955 7.992 -0.360 1.164 1.00 0.00 O ATOM 561 OD2 ASP A 955 9.029 1.537 1.506 1.00 0.00 O ATOM 0 H ASP A 955 8.034 2.228 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 955 6.274 0.864 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 955 8.596 0.153 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 955 9.159 1.778 -0.964 1.00 0.00 H new ATOM 566 N ALA A 956 6.361 2.934 0.790 1.00 0.00 N ATOM 567 CA ALA A 956 6.031 4.168 1.518 1.00 0.00 C ATOM 568 C ALA A 956 7.106 5.248 1.365 1.00 0.00 C ATOM 569 O ALA A 956 6.804 6.444 1.357 1.00 0.00 O ATOM 570 CB ALA A 956 5.817 3.863 2.991 1.00 0.00 C ATOM 0 H ALA A 956 6.308 2.088 1.358 1.00 0.00 H new ATOM 0 HA ALA A 956 5.113 4.559 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 956 5.573 4.783 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 956 4.997 3.153 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 956 6.727 3.433 3.410 1.00 0.00 H new ATOM 576 N ASN A 957 8.348 4.830 1.190 1.00 0.00 N ATOM 577 CA ASN A 957 9.452 5.772 1.044 1.00 0.00 C ATOM 578 C ASN A 957 9.789 6.040 -0.429 1.00 0.00 C ATOM 579 O ASN A 957 10.817 6.652 -0.723 1.00 0.00 O ATOM 580 CB ASN A 957 10.701 5.265 1.775 1.00 0.00 C ATOM 581 CG ASN A 957 10.498 5.075 3.269 1.00 0.00 C ATOM 582 OD1 ASN A 957 10.100 4.000 3.718 1.00 0.00 O ATOM 583 ND2 ASN A 957 10.774 6.097 4.060 1.00 0.00 N ATOM 0 H ASN A 957 8.620 3.848 1.145 1.00 0.00 H new ATOM 0 HA ASN A 957 9.127 6.711 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 957 11.009 4.316 1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 957 11.517 5.970 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 957 10.659 6.006 5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 957 11.102 6.977 3.661 1.00 0.00 H new ATOM 590 N GLY A 958 8.911 5.629 -1.352 1.00 0.00 N ATOM 591 CA GLY A 958 9.156 5.842 -2.764 1.00 0.00 C ATOM 592 C GLY A 958 10.253 4.979 -3.267 1.00 0.00 C ATOM 593 O GLY A 958 11.159 5.443 -3.950 1.00 0.00 O ATOM 0 H GLY A 958 8.035 5.152 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 958 8.245 5.637 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 958 9.408 6.888 -2.936 1.00 0.00 H new ATOM 597 N ASP A 959 10.170 3.722 -2.963 1.00 0.00 N ATOM 598 CA ASP A 959 11.140 2.801 -3.445 1.00 0.00 C ATOM 599 C ASP A 959 10.399 2.021 -4.485 1.00 0.00 C ATOM 600 O ASP A 959 9.417 1.360 -4.154 1.00 0.00 O ATOM 601 CB ASP A 959 11.654 1.892 -2.329 1.00 0.00 C ATOM 602 CG ASP A 959 12.670 0.876 -2.809 1.00 0.00 C ATOM 603 OD1 ASP A 959 13.881 1.178 -2.818 1.00 0.00 O ATOM 604 OD2 ASP A 959 12.288 -0.266 -3.133 1.00 0.00 O ATOM 0 H ASP A 959 9.438 3.313 -2.382 1.00 0.00 H new ATOM 0 HA ASP A 959 12.028 3.295 -3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 959 12.104 2.505 -1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 959 10.811 1.368 -1.878 1.00 0.00 H new ATOM 609 N LYS A 960 10.758 2.252 -5.726 1.00 0.00 N ATOM 610 CA LYS A 960 10.147 1.566 -6.868 1.00 0.00 C ATOM 611 C LYS A 960 10.016 0.063 -6.608 1.00 0.00 C ATOM 612 O LYS A 960 11.009 -0.666 -6.500 1.00 0.00 O ATOM 613 CB LYS A 960 10.986 1.794 -8.129 1.00 0.00 C ATOM 614 CG LYS A 960 10.536 0.983 -9.337 1.00 0.00 C ATOM 615 CD LYS A 960 9.180 1.416 -9.867 1.00 0.00 C ATOM 616 CE LYS A 960 8.738 0.550 -11.037 1.00 0.00 C ATOM 617 NZ LYS A 960 9.816 0.393 -12.050 1.00 0.00 N ATOM 0 H LYS A 960 11.483 2.921 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 960 9.149 1.980 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 960 10.955 2.853 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 960 12.025 1.550 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 960 11.278 1.079 -10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 960 10.494 -0.072 -9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 960 8.440 1.357 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 960 9.227 2.459 -10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 960 8.440 -0.432 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 960 7.861 0.995 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 9.392 0.271 -12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 10.419 1.240 -12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 10.391 -0.442 -11.818 1.00 0.00 H new ATOM 631 N ALA A 961 8.782 -0.380 -6.510 1.00 0.00 N ATOM 632 CA ALA A 961 8.477 -1.755 -6.190 1.00 0.00 C ATOM 633 C ALA A 961 7.716 -2.398 -7.335 1.00 0.00 C ATOM 634 O ALA A 961 7.403 -1.734 -8.333 1.00 0.00 O ATOM 635 CB ALA A 961 7.671 -1.831 -4.899 1.00 0.00 C ATOM 0 H ALA A 961 7.959 0.206 -6.651 1.00 0.00 H new ATOM 0 HA ALA A 961 9.410 -2.300 -6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.448 -2.873 -4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 961 8.248 -1.396 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.739 -1.279 -5.019 1.00 0.00 H new ATOM 641 N ALA A 962 7.450 -3.683 -7.196 1.00 0.00 N ATOM 642 CA ALA A 962 6.694 -4.422 -8.184 1.00 0.00 C ATOM 643 C ALA A 962 5.215 -4.156 -7.974 1.00 0.00 C ATOM 644 O ALA A 962 4.801 -3.746 -6.887 1.00 0.00 O ATOM 645 CB ALA A 962 6.994 -5.911 -8.071 1.00 0.00 C ATOM 0 H ALA A 962 7.752 -4.241 -6.397 1.00 0.00 H new ATOM 0 HA ALA A 962 6.979 -4.096 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 962 6.419 -6.456 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 962 8.058 -6.081 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 962 6.720 -6.263 -7.076 1.00 0.00 H new ATOM 651 N SER A 963 4.414 -4.395 -8.983 1.00 0.00 N ATOM 652 CA SER A 963 3.009 -4.130 -8.888 1.00 0.00 C ATOM 653 C SER A 963 2.325 -5.363 -8.287 1.00 0.00 C ATOM 654 O SER A 963 2.905 -6.451 -8.309 1.00 0.00 O ATOM 655 CB SER A 963 2.478 -3.831 -10.282 1.00 0.00 C ATOM 656 OG SER A 963 3.442 -3.136 -11.056 1.00 0.00 O ATOM 0 H SER A 963 4.717 -4.774 -9.880 1.00 0.00 H new ATOM 0 HA SER A 963 2.808 -3.271 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 963 2.210 -4.763 -10.780 1.00 0.00 H new ATOM 0 HB3 SER A 963 1.568 -3.236 -10.208 1.00 0.00 H new ATOM 0 HG SER A 963 4.084 -3.775 -11.430 1.00 0.00 H new ATOM 662 N PRO A 964 1.116 -5.199 -7.715 1.00 0.00 N ATOM 663 CA PRO A 964 0.337 -6.286 -7.099 1.00 0.00 C ATOM 664 C PRO A 964 0.233 -7.579 -7.924 1.00 0.00 C ATOM 665 O PRO A 964 0.054 -8.653 -7.354 1.00 0.00 O ATOM 666 CB PRO A 964 -1.055 -5.688 -6.898 1.00 0.00 C ATOM 667 CG PRO A 964 -0.942 -4.214 -7.102 1.00 0.00 C ATOM 668 CD PRO A 964 0.461 -3.900 -7.544 1.00 0.00 C ATOM 0 HA PRO A 964 0.836 -6.606 -6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -1.764 -6.120 -7.605 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -1.427 -5.910 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -1.659 -3.879 -7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -1.176 -3.685 -6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.462 -3.334 -8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.980 -3.293 -6.802 1.00 0.00 H new ATOM 676 N SER A 965 0.333 -7.486 -9.246 1.00 0.00 N ATOM 677 CA SER A 965 0.284 -8.666 -10.095 1.00 0.00 C ATOM 678 C SER A 965 1.586 -9.469 -9.938 1.00 0.00 C ATOM 679 O SER A 965 1.554 -10.680 -9.713 1.00 0.00 O ATOM 680 CB SER A 965 0.043 -8.255 -11.556 1.00 0.00 C ATOM 681 OG SER A 965 -0.185 -9.375 -12.393 1.00 0.00 O ATOM 0 H SER A 965 0.448 -6.607 -9.750 1.00 0.00 H new ATOM 0 HA SER A 965 -0.546 -9.304 -9.791 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.815 -7.584 -11.607 1.00 0.00 H new ATOM 0 HB3 SER A 965 0.905 -7.698 -11.923 1.00 0.00 H new ATOM 0 HG SER A 965 -0.335 -9.071 -13.312 1.00 0.00 H new ATOM 687 N GLU A 966 2.724 -8.781 -10.042 1.00 0.00 N ATOM 688 CA GLU A 966 4.033 -9.407 -9.828 1.00 0.00 C ATOM 689 C GLU A 966 4.163 -9.874 -8.381 1.00 0.00 C ATOM 690 O GLU A 966 4.805 -10.892 -8.092 1.00 0.00 O ATOM 691 CB GLU A 966 5.204 -8.449 -10.124 1.00 0.00 C ATOM 692 CG GLU A 966 5.233 -7.829 -11.515 1.00 0.00 C ATOM 693 CD GLU A 966 4.308 -6.640 -11.663 1.00 0.00 C ATOM 694 OE1 GLU A 966 3.094 -6.828 -11.904 1.00 0.00 O ATOM 695 OE2 GLU A 966 4.785 -5.490 -11.534 1.00 0.00 O ATOM 0 H GLU A 966 2.767 -7.789 -10.273 1.00 0.00 H new ATOM 0 HA GLU A 966 4.087 -10.248 -10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 966 5.181 -7.643 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 966 6.137 -8.992 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 966 6.252 -7.518 -11.745 1.00 0.00 H new ATOM 0 HG3 GLU A 966 4.958 -8.587 -12.248 1.00 0.00 H new ATOM 702 N LEU A 967 3.544 -9.129 -7.477 1.00 0.00 N ATOM 703 CA LEU A 967 3.548 -9.460 -6.070 1.00 0.00 C ATOM 704 C LEU A 967 2.806 -10.771 -5.852 1.00 0.00 C ATOM 705 O LEU A 967 1.595 -10.873 -6.040 1.00 0.00 O ATOM 706 CB LEU A 967 2.946 -8.297 -5.280 1.00 0.00 C ATOM 707 CG LEU A 967 3.838 -7.049 -5.231 1.00 0.00 C ATOM 708 CD1 LEU A 967 3.162 -5.920 -4.481 1.00 0.00 C ATOM 709 CD2 LEU A 967 5.183 -7.371 -4.595 1.00 0.00 C ATOM 0 H LEU A 967 3.027 -8.280 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 967 4.566 -9.608 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.987 -8.028 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.746 -8.628 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 967 4.006 -6.724 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.819 -5.050 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 967 2.228 -5.660 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.952 -6.236 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.799 -6.472 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 967 5.028 -7.732 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.687 -8.140 -5.180 1.00 0.00 H new ATOM 721 N THR A 968 3.559 -11.779 -5.490 1.00 0.00 N ATOM 722 CA THR A 968 3.050 -13.128 -5.364 1.00 0.00 C ATOM 723 C THR A 968 3.434 -13.710 -4.006 1.00 0.00 C ATOM 724 O THR A 968 4.096 -13.032 -3.216 1.00 0.00 O ATOM 725 CB THR A 968 3.593 -13.973 -6.537 1.00 0.00 C ATOM 726 OG1 THR A 968 4.885 -13.463 -6.936 1.00 0.00 O ATOM 727 CG2 THR A 968 2.639 -13.933 -7.724 1.00 0.00 C ATOM 0 H THR A 968 4.551 -11.689 -5.272 1.00 0.00 H new ATOM 0 HA THR A 968 1.961 -13.132 -5.413 1.00 0.00 H new ATOM 0 HB THR A 968 3.687 -15.008 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 968 4.767 -12.632 -7.442 1.00 0.00 H new ATOM 0 HG21 THR A 968 3.044 -14.536 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 968 1.669 -14.331 -7.425 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.520 -12.903 -8.061 1.00 0.00 H new ATOM 735 N CYS A 969 3.038 -14.935 -3.708 1.00 0.00 N ATOM 736 CA CYS A 969 3.323 -15.476 -2.391 1.00 0.00 C ATOM 737 C CYS A 969 4.602 -16.297 -2.378 1.00 0.00 C ATOM 738 O CYS A 969 4.875 -17.069 -3.306 1.00 0.00 O ATOM 739 CB CYS A 969 2.152 -16.300 -1.863 1.00 0.00 C ATOM 740 SG CYS A 969 1.650 -17.669 -2.920 1.00 0.00 S ATOM 0 H CYS A 969 2.533 -15.558 -4.338 1.00 0.00 H new ATOM 0 HA CYS A 969 3.470 -14.625 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.418 -16.696 -0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.297 -15.639 -1.719 1.00 0.00 H new ATOM 0 HG CYS A 969 0.652 -18.297 -2.372 1.00 0.00 H new ATOM 746 N PRO A 970 5.421 -16.107 -1.338 1.00 0.00 N ATOM 747 CA PRO A 970 6.651 -16.867 -1.147 1.00 0.00 C ATOM 748 C PRO A 970 6.364 -18.193 -0.440 1.00 0.00 C ATOM 749 O PRO A 970 5.253 -18.388 0.077 1.00 0.00 O ATOM 750 CB PRO A 970 7.452 -15.935 -0.241 1.00 0.00 C ATOM 751 CG PRO A 970 6.425 -15.321 0.627 1.00 0.00 C ATOM 752 CD PRO A 970 5.216 -15.128 -0.249 1.00 0.00 C ATOM 0 HA PRO A 970 7.159 -17.133 -2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.193 -16.482 0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 970 7.991 -15.183 -0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.195 -15.964 1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 970 6.772 -14.370 1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.291 -15.320 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.155 -14.109 -0.631 1.00 0.00 H new ATOM 760 N PRO A 971 7.330 -19.127 -0.406 1.00 0.00 N ATOM 761 CA PRO A 971 7.159 -20.376 0.324 1.00 0.00 C ATOM 762 C PRO A 971 7.090 -20.107 1.823 1.00 0.00 C ATOM 763 O PRO A 971 8.097 -19.792 2.468 1.00 0.00 O ATOM 764 CB PRO A 971 8.400 -21.203 -0.032 1.00 0.00 C ATOM 765 CG PRO A 971 9.036 -20.499 -1.181 1.00 0.00 C ATOM 766 CD PRO A 971 8.642 -19.057 -1.066 1.00 0.00 C ATOM 0 HA PRO A 971 6.236 -20.894 0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 971 9.084 -21.268 0.815 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.127 -22.224 -0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 971 10.120 -20.609 -1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 971 8.699 -20.919 -2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 971 9.361 -18.487 -0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.578 -18.576 -2.042 1.00 0.00 H new ATOM 774 N GLY A 972 5.890 -20.173 2.359 1.00 0.00 N ATOM 775 CA GLY A 972 5.682 -19.880 3.751 1.00 0.00 C ATOM 776 C GLY A 972 4.646 -18.800 3.951 1.00 0.00 C ATOM 777 O GLY A 972 4.307 -18.456 5.073 1.00 0.00 O ATOM 0 H GLY A 972 5.046 -20.428 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 972 5.367 -20.786 4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 972 6.624 -19.567 4.201 1.00 0.00 H new ATOM 781 N TRP A 973 4.125 -18.258 2.864 1.00 0.00 N ATOM 782 CA TRP A 973 3.127 -17.217 2.968 1.00 0.00 C ATOM 783 C TRP A 973 1.967 -17.474 2.032 1.00 0.00 C ATOM 784 O TRP A 973 2.135 -17.772 0.855 1.00 0.00 O ATOM 785 CB TRP A 973 3.734 -15.819 2.833 1.00 0.00 C ATOM 786 CG TRP A 973 4.518 -15.433 4.056 1.00 0.00 C ATOM 787 CD1 TRP A 973 5.864 -15.546 4.217 1.00 0.00 C ATOM 788 CD2 TRP A 973 4.005 -14.942 5.312 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.226 -15.129 5.472 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.107 -14.756 6.162 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.732 -14.630 5.799 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.978 -14.281 7.462 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.600 -14.170 7.105 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.720 -14.000 7.919 1.00 0.00 C ATOM 0 H TRP A 973 4.375 -18.520 1.911 1.00 0.00 H new ATOM 0 HA TRP A 973 2.713 -17.248 3.976 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.384 -15.787 1.959 1.00 0.00 H new ATOM 0 HB3 TRP A 973 2.939 -15.092 2.666 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.548 -15.911 3.465 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.179 -15.102 5.833 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.862 -14.745 5.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.844 -14.138 8.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.619 -13.942 7.494 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.591 -13.640 8.929 1.00 0.00 H new ATOM 805 N GLU A 974 0.809 -17.374 2.619 1.00 0.00 N ATOM 806 CA GLU A 974 -0.472 -17.746 2.065 1.00 0.00 C ATOM 807 C GLU A 974 -1.363 -16.505 1.952 1.00 0.00 C ATOM 808 O GLU A 974 -1.432 -15.714 2.886 1.00 0.00 O ATOM 809 CB GLU A 974 -1.037 -18.750 3.075 1.00 0.00 C ATOM 810 CG GLU A 974 -2.450 -19.222 2.869 1.00 0.00 C ATOM 811 CD GLU A 974 -2.632 -19.933 1.546 1.00 0.00 C ATOM 812 OE1 GLU A 974 -1.949 -20.948 1.292 1.00 0.00 O ATOM 813 OE2 GLU A 974 -3.466 -19.489 0.732 1.00 0.00 O ATOM 0 H GLU A 974 0.724 -17.004 3.566 1.00 0.00 H new ATOM 0 HA GLU A 974 -0.406 -18.172 1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 974 -0.387 -19.625 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.973 -18.302 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -2.728 -19.894 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -3.126 -18.368 2.916 1.00 0.00 H new ATOM 820 N TRP A 975 -1.985 -16.286 0.810 1.00 0.00 N ATOM 821 CA TRP A 975 -2.893 -15.143 0.677 1.00 0.00 C ATOM 822 C TRP A 975 -4.287 -15.471 1.199 1.00 0.00 C ATOM 823 O TRP A 975 -4.706 -16.632 1.235 1.00 0.00 O ATOM 824 CB TRP A 975 -3.003 -14.627 -0.765 1.00 0.00 C ATOM 825 CG TRP A 975 -1.720 -14.129 -1.328 1.00 0.00 C ATOM 826 CD1 TRP A 975 -0.981 -14.712 -2.298 1.00 0.00 C ATOM 827 CD2 TRP A 975 -1.028 -12.930 -0.954 1.00 0.00 C ATOM 828 NE1 TRP A 975 0.128 -13.957 -2.552 1.00 0.00 N ATOM 829 CE2 TRP A 975 0.132 -12.862 -1.737 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.276 -11.913 -0.035 1.00 0.00 C ATOM 831 CZ2 TRP A 975 1.048 -11.819 -1.626 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.369 -10.877 0.072 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.782 -10.839 -0.717 1.00 0.00 C ATOM 0 H TRP A 975 -1.889 -16.863 -0.025 1.00 0.00 H new ATOM 0 HA TRP A 975 -2.453 -14.352 1.284 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.379 -15.429 -1.400 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.739 -13.823 -0.797 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.230 -15.637 -2.797 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.844 -14.177 -3.245 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -2.162 -11.934 0.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.937 -11.788 -2.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.554 -10.082 0.779 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.474 -10.018 -0.605 1.00 0.00 H new ATOM 844 N GLU A 976 -5.010 -14.433 1.565 1.00 0.00 N ATOM 845 CA GLU A 976 -6.350 -14.578 2.110 1.00 0.00 C ATOM 846 C GLU A 976 -7.261 -13.486 1.563 1.00 0.00 C ATOM 847 O GLU A 976 -8.453 -13.706 1.315 1.00 0.00 O ATOM 848 CB GLU A 976 -6.301 -14.524 3.635 1.00 0.00 C ATOM 849 CG GLU A 976 -7.663 -14.607 4.298 1.00 0.00 C ATOM 850 CD GLU A 976 -7.562 -14.598 5.796 1.00 0.00 C ATOM 851 OE1 GLU A 976 -7.243 -13.544 6.382 1.00 0.00 O ATOM 852 OE2 GLU A 976 -7.750 -15.656 6.422 1.00 0.00 O ATOM 0 H GLU A 976 -4.690 -13.467 1.495 1.00 0.00 H new ATOM 0 HA GLU A 976 -6.754 -15.545 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -5.681 -15.344 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.815 -13.597 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -8.277 -13.768 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -8.169 -15.517 3.974 1.00 0.00 H new ATOM 859 N ASP A 977 -6.696 -12.304 1.390 1.00 0.00 N ATOM 860 CA ASP A 977 -7.431 -11.165 0.852 1.00 0.00 C ATOM 861 C ASP A 977 -7.765 -11.420 -0.599 1.00 0.00 C ATOM 862 O ASP A 977 -6.994 -12.077 -1.302 1.00 0.00 O ATOM 863 CB ASP A 977 -6.615 -9.875 0.973 1.00 0.00 C ATOM 864 CG ASP A 977 -6.409 -9.428 2.406 1.00 0.00 C ATOM 865 OD1 ASP A 977 -6.339 -10.280 3.313 1.00 0.00 O ATOM 866 OD2 ASP A 977 -6.252 -8.215 2.641 1.00 0.00 O ATOM 0 H ASP A 977 -5.722 -12.104 1.616 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.348 -11.044 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.643 -10.023 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -7.119 -9.082 0.421 1.00 0.00 H new ATOM 871 N ASP A 978 -8.904 -10.926 -1.044 1.00 0.00 N ATOM 872 CA ASP A 978 -9.368 -11.150 -2.412 1.00 0.00 C ATOM 873 C ASP A 978 -8.495 -10.452 -3.451 1.00 0.00 C ATOM 874 O ASP A 978 -8.135 -11.048 -4.460 1.00 0.00 O ATOM 875 CB ASP A 978 -10.820 -10.685 -2.559 1.00 0.00 C ATOM 876 CG ASP A 978 -11.372 -10.903 -3.952 1.00 0.00 C ATOM 877 OD1 ASP A 978 -11.870 -12.011 -4.232 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.343 -9.967 -4.778 1.00 0.00 O ATOM 0 H ASP A 978 -9.535 -10.360 -0.476 1.00 0.00 H new ATOM 0 HA ASP A 978 -9.299 -12.222 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -11.441 -11.219 -1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.884 -9.626 -2.310 1.00 0.00 H new ATOM 883 N ALA A 979 -8.126 -9.213 -3.184 1.00 0.00 N ATOM 884 CA ALA A 979 -7.366 -8.413 -4.130 1.00 0.00 C ATOM 885 C ALA A 979 -6.851 -7.187 -3.426 1.00 0.00 C ATOM 886 O ALA A 979 -7.259 -6.896 -2.292 1.00 0.00 O ATOM 887 CB ALA A 979 -8.227 -8.011 -5.322 1.00 0.00 C ATOM 0 H ALA A 979 -8.343 -8.734 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.531 -9.004 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -7.634 -7.413 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.585 -8.906 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -9.078 -7.426 -4.975 1.00 0.00 H new ATOM 893 N TRP A 980 -5.958 -6.498 -4.091 1.00 0.00 N ATOM 894 CA TRP A 980 -5.376 -5.311 -3.522 1.00 0.00 C ATOM 895 C TRP A 980 -6.430 -4.238 -3.478 1.00 0.00 C ATOM 896 O TRP A 980 -6.980 -3.822 -4.501 1.00 0.00 O ATOM 897 CB TRP A 980 -4.111 -4.868 -4.243 1.00 0.00 C ATOM 898 CG TRP A 980 -3.056 -5.932 -4.193 1.00 0.00 C ATOM 899 CD1 TRP A 980 -3.062 -7.123 -4.865 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.846 -5.917 -3.424 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.936 -7.838 -4.564 1.00 0.00 N ATOM 902 CE2 TRP A 980 -1.167 -7.121 -3.692 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.266 -5.007 -2.541 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.059 -7.436 -3.114 1.00 0.00 C ATOM 905 CZ3 TRP A 980 -0.051 -5.322 -1.962 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.601 -6.525 -2.254 1.00 0.00 C ATOM 0 H TRP A 980 -5.620 -6.738 -5.023 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.045 -5.528 -2.506 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.345 -4.633 -5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.731 -3.954 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.842 -7.451 -5.536 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.707 -8.761 -4.932 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.757 -4.073 -2.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.562 -8.365 -3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.403 -4.627 -1.272 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.553 -6.737 -1.789 1.00 0.00 H new ATOM 917 N SER A 981 -6.716 -3.819 -2.283 1.00 0.00 N ATOM 918 CA SER A 981 -7.789 -2.894 -2.008 1.00 0.00 C ATOM 919 C SER A 981 -7.099 -1.609 -1.601 1.00 0.00 C ATOM 920 O SER A 981 -5.939 -1.468 -1.913 1.00 0.00 O ATOM 921 CB SER A 981 -8.645 -3.487 -0.888 1.00 0.00 C ATOM 922 OG SER A 981 -9.081 -4.800 -1.237 1.00 0.00 O ATOM 0 H SER A 981 -6.204 -4.112 -1.451 1.00 0.00 H new ATOM 0 HA SER A 981 -8.454 -2.707 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 981 -8.071 -3.522 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 981 -9.508 -2.847 -0.704 1.00 0.00 H new ATOM 0 HG SER A 981 -8.302 -5.368 -1.409 1.00 0.00 H new ATOM 928 N TYR A 982 -7.724 -0.677 -0.941 1.00 0.00 N ATOM 929 CA TYR A 982 -6.999 0.506 -0.521 1.00 0.00 C ATOM 930 C TYR A 982 -7.040 0.621 0.994 1.00 0.00 C ATOM 931 O TYR A 982 -7.961 0.108 1.640 1.00 0.00 O ATOM 932 CB TYR A 982 -7.547 1.748 -1.235 1.00 0.00 C ATOM 933 CG TYR A 982 -9.059 1.818 -1.246 1.00 0.00 C ATOM 934 CD1 TYR A 982 -9.767 1.208 -2.271 1.00 0.00 C ATOM 935 CD2 TYR A 982 -9.775 2.450 -0.238 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.143 1.228 -2.300 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.157 2.467 -0.257 1.00 0.00 C ATOM 938 CZ TYR A 982 -11.833 1.855 -1.291 1.00 0.00 C ATOM 939 OH TYR A 982 -13.213 1.848 -1.307 1.00 0.00 O ATOM 0 H TYR A 982 -8.710 -0.702 -0.683 1.00 0.00 H new ATOM 0 HA TYR A 982 -5.951 0.424 -0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.153 2.641 -0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.183 1.757 -2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.228 0.708 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -9.246 2.934 0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -11.677 0.754 -3.111 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -11.705 2.957 0.534 1.00 0.00 H new ATOM 0 HH TYR A 982 -13.552 2.332 -0.525 1.00 0.00 H new ATOM 949 N ASP A 983 -6.037 1.261 1.557 1.00 0.00 N ATOM 950 CA ASP A 983 -5.882 1.332 2.998 1.00 0.00 C ATOM 951 C ASP A 983 -6.723 2.442 3.580 1.00 0.00 C ATOM 952 O ASP A 983 -6.537 3.618 3.280 1.00 0.00 O ATOM 953 CB ASP A 983 -4.419 1.547 3.370 1.00 0.00 C ATOM 954 CG ASP A 983 -4.169 1.469 4.862 1.00 0.00 C ATOM 955 OD1 ASP A 983 -3.958 0.349 5.383 1.00 0.00 O ATOM 956 OD2 ASP A 983 -4.130 2.506 5.532 1.00 0.00 O ATOM 0 H ASP A 983 -5.308 1.745 1.033 1.00 0.00 H new ATOM 0 HA ASP A 983 -6.221 0.383 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -3.808 0.799 2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -4.096 2.522 3.004 1.00 0.00 H new ATOM 961 N ILE A 984 -7.680 2.040 4.369 1.00 0.00 N ATOM 962 CA ILE A 984 -8.545 2.951 5.077 1.00 0.00 C ATOM 963 C ILE A 984 -8.166 2.934 6.557 1.00 0.00 C ATOM 964 O ILE A 984 -7.060 2.486 6.882 1.00 0.00 O ATOM 965 CB ILE A 984 -10.020 2.566 4.851 1.00 0.00 C ATOM 966 CG1 ILE A 984 -10.238 1.080 5.188 1.00 0.00 C ATOM 967 CG2 ILE A 984 -10.405 2.885 3.403 1.00 0.00 C ATOM 968 CD1 ILE A 984 -11.673 0.611 5.066 1.00 0.00 C ATOM 0 H ILE A 984 -7.887 1.056 4.543 1.00 0.00 H new ATOM 0 HA ILE A 984 -8.421 3.966 4.700 1.00 0.00 H new ATOM 0 HB ILE A 984 -10.664 3.145 5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -9.615 0.476 4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -9.895 0.898 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -11.448 2.615 3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.272 3.951 3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -9.770 2.316 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -11.733 -0.447 5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -12.302 1.185 5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -12.018 0.757 4.042 1.00 0.00 H new ATOM 980 N ASN A 985 -9.086 3.332 7.451 1.00 0.00 N ATOM 981 CA ASN A 985 -8.761 3.500 8.884 1.00 0.00 C ATOM 982 C ASN A 985 -7.489 4.355 9.001 1.00 0.00 C ATOM 983 O ASN A 985 -6.569 4.081 9.766 1.00 0.00 O ATOM 984 CB ASN A 985 -8.605 2.096 9.519 1.00 0.00 C ATOM 985 CG ASN A 985 -8.415 2.078 11.032 1.00 0.00 C ATOM 986 OD1 ASN A 985 -9.387 2.098 11.790 1.00 0.00 O ATOM 987 ND2 ASN A 985 -7.181 1.963 11.482 1.00 0.00 N ATOM 0 H ASN A 985 -10.055 3.543 7.213 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.553 4.019 9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -9.488 1.505 9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -7.751 1.600 9.057 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -7.009 1.887 12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -6.399 1.950 10.828 1.00 0.00 H new ATOM 994 N ARG A 986 -7.460 5.409 8.208 1.00 0.00 N ATOM 995 CA ARG A 986 -6.295 6.253 8.059 1.00 0.00 C ATOM 996 C ARG A 986 -6.799 7.631 7.657 1.00 0.00 C ATOM 997 O ARG A 986 -8.012 7.818 7.482 1.00 0.00 O ATOM 998 CB ARG A 986 -5.462 5.658 6.930 1.00 0.00 C ATOM 999 CG ARG A 986 -4.080 6.224 6.704 1.00 0.00 C ATOM 1000 CD ARG A 986 -3.478 5.535 5.501 1.00 0.00 C ATOM 1001 NE ARG A 986 -2.203 6.102 5.085 1.00 0.00 N ATOM 1002 CZ ARG A 986 -1.026 5.623 5.447 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -0.946 4.630 6.329 1.00 0.00 N ATOM 1004 NH2 ARG A 986 0.065 6.143 4.914 1.00 0.00 N ATOM 0 H ARG A 986 -8.256 5.705 7.643 1.00 0.00 H new ATOM 0 HA ARG A 986 -5.699 6.322 8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -5.360 4.589 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -6.025 5.768 6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -4.132 7.300 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -3.456 6.066 7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -3.340 4.478 5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -4.181 5.592 4.670 1.00 0.00 H new ATOM 0 HE ARG A 986 -2.219 6.920 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -1.796 4.234 6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -0.034 4.265 6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -0.010 6.901 4.236 1.00 0.00 H new ATOM 0 HH22 ARG A 986 0.983 5.787 5.181 1.00 0.00 H new ATOM 1018 N ALA A 987 -5.901 8.566 7.460 1.00 0.00 N ATOM 1019 CA ALA A 987 -6.270 9.892 7.002 1.00 0.00 C ATOM 1020 C ALA A 987 -6.289 9.871 5.484 1.00 0.00 C ATOM 1021 O ALA A 987 -5.420 10.431 4.817 1.00 0.00 O ATOM 1022 CB ALA A 987 -5.317 10.956 7.535 1.00 0.00 C ATOM 0 H ALA A 987 -4.901 8.435 7.610 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.257 10.154 7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.625 11.936 7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.338 10.951 8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -4.305 10.743 7.191 1.00 0.00 H new ATOM 1028 N VAL A 988 -7.273 9.168 4.955 1.00 0.00 N ATOM 1029 CA VAL A 988 -7.368 8.925 3.531 1.00 0.00 C ATOM 1030 C VAL A 988 -8.672 9.408 2.930 1.00 0.00 C ATOM 1031 O VAL A 988 -9.702 9.537 3.611 1.00 0.00 O ATOM 1032 CB VAL A 988 -7.214 7.424 3.192 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -5.815 6.945 3.508 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -8.239 6.575 3.938 1.00 0.00 C ATOM 0 H VAL A 988 -8.027 8.751 5.501 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.547 9.496 3.097 1.00 0.00 H new ATOM 0 HB VAL A 988 -7.393 7.310 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -5.729 5.887 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -5.094 7.514 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -5.612 7.089 4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -8.102 5.526 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -8.104 6.702 5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -9.245 6.890 3.659 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.562 9.766 1.670 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.681 10.049 0.782 1.00 0.00 C ATOM 1046 C ASP A 989 -10.650 8.862 0.734 1.00 0.00 C ATOM 1047 O ASP A 989 -10.345 7.774 1.231 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.104 10.323 -0.619 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.135 10.498 -1.716 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -10.794 11.554 -1.789 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -10.344 9.550 -2.494 1.00 0.00 O ATOM 0 H ASP A 989 -7.657 9.874 1.212 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.239 10.912 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.490 11.222 -0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -8.444 9.499 -0.890 1.00 0.00 H new ATOM 1056 N GLU A 990 -11.790 9.076 0.092 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.820 8.065 -0.080 1.00 0.00 C ATOM 1058 C GLU A 990 -12.255 6.806 -0.666 1.00 0.00 C ATOM 1059 O GLU A 990 -12.692 5.697 -0.353 1.00 0.00 O ATOM 1060 CB GLU A 990 -13.892 8.582 -1.022 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.694 9.705 -0.435 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.695 10.278 -1.414 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -15.320 11.159 -2.216 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -16.872 9.861 -1.400 1.00 0.00 O ATOM 0 H GLU A 990 -12.028 9.973 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 990 -13.238 7.849 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -13.424 8.921 -1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.562 7.764 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -15.221 9.347 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -14.019 10.495 -0.106 1.00 0.00 H new ATOM 1071 N LYS A 991 -11.278 6.978 -1.517 1.00 0.00 N ATOM 1072 CA LYS A 991 -10.752 5.858 -2.210 1.00 0.00 C ATOM 1073 C LYS A 991 -9.368 5.443 -1.685 1.00 0.00 C ATOM 1074 O LYS A 991 -8.628 4.737 -2.375 1.00 0.00 O ATOM 1075 CB LYS A 991 -10.722 6.224 -3.681 1.00 0.00 C ATOM 1076 CG LYS A 991 -12.023 6.868 -4.139 1.00 0.00 C ATOM 1077 CD LYS A 991 -13.194 5.910 -4.090 1.00 0.00 C ATOM 1078 CE LYS A 991 -14.477 6.617 -4.482 1.00 0.00 C ATOM 1079 NZ LYS A 991 -15.649 5.731 -4.346 1.00 0.00 N ATOM 0 H LYS A 991 -10.843 7.874 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 991 -11.383 4.984 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -9.894 6.909 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -10.534 5.328 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -12.238 7.732 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -11.903 7.238 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -13.014 5.072 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -13.292 5.497 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -14.613 7.499 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -14.401 6.965 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -16.508 6.247 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -15.530 4.901 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -15.735 5.419 -3.358 1.00 0.00 H new ATOM 1093 N GLY A 992 -8.996 5.907 -0.488 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.762 5.449 0.153 1.00 0.00 C ATOM 1095 C GLY A 992 -6.585 6.352 -0.141 1.00 0.00 C ATOM 1096 O GLY A 992 -5.496 6.179 0.396 1.00 0.00 O ATOM 0 H GLY A 992 -9.526 6.592 0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.915 5.396 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -7.534 4.439 -0.186 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.804 7.236 -1.081 1.00 0.00 N ATOM 1101 CA TRP A 993 -5.806 8.225 -1.491 1.00 0.00 C ATOM 1102 C TRP A 993 -5.356 9.169 -0.358 1.00 0.00 C ATOM 1103 O TRP A 993 -6.106 9.470 0.568 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.323 9.052 -2.654 1.00 0.00 C ATOM 1105 CG TRP A 993 -6.612 8.297 -3.921 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -7.838 7.976 -4.399 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -5.666 7.822 -4.899 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -7.726 7.337 -5.604 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -6.406 7.238 -5.938 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -4.270 7.837 -5.001 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -5.801 6.684 -7.063 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -3.671 7.285 -6.114 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -4.437 6.719 -7.132 1.00 0.00 C ATOM 0 H TRP A 993 -7.683 7.301 -1.595 1.00 0.00 H new ATOM 0 HA TRP A 993 -4.930 7.648 -1.789 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.236 9.556 -2.338 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -5.591 9.829 -2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -8.771 8.193 -3.900 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -8.505 6.990 -6.164 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -3.669 8.275 -4.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -6.389 6.242 -7.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -2.594 7.291 -6.198 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -3.941 6.299 -7.994 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.136 9.672 -0.492 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.538 10.585 0.489 1.00 0.00 C ATOM 1126 C GLU A 994 -2.795 11.743 -0.176 1.00 0.00 C ATOM 1127 O GLU A 994 -2.359 11.659 -1.339 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.640 9.865 1.537 1.00 0.00 C ATOM 1129 CG GLU A 994 -1.683 8.828 0.966 1.00 0.00 C ATOM 1130 CD GLU A 994 -0.781 8.149 1.996 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -1.245 7.787 3.098 1.00 0.00 O ATOM 1132 OE2 GLU A 994 0.431 7.957 1.713 1.00 0.00 O ATOM 0 H GLU A 994 -3.527 9.462 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.379 11.004 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -2.059 10.616 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -3.283 9.378 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.264 8.062 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -1.055 9.308 0.215 1.00 0.00 H new ATOM 1139 N TYR A 995 -2.752 12.842 0.571 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.142 14.119 0.186 1.00 0.00 C ATOM 1141 C TYR A 995 -0.633 13.981 -0.057 1.00 0.00 C ATOM 1142 O TYR A 995 0.127 13.890 0.878 1.00 0.00 O ATOM 1143 CB TYR A 995 -2.390 15.088 1.350 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.409 16.579 1.076 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -1.495 17.209 0.246 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -3.374 17.367 1.692 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -1.546 18.580 0.044 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -3.424 18.729 1.501 1.00 0.00 C ATOM 1149 CZ TYR A 995 -2.505 19.333 0.676 1.00 0.00 C ATOM 1150 OH TYR A 995 -2.539 20.696 0.499 1.00 0.00 O ATOM 0 H TYR A 995 -3.159 12.872 1.506 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.581 14.475 -0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -3.347 14.824 1.799 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -1.623 14.902 2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -0.734 16.625 -0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -4.103 16.899 2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -0.831 19.056 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -4.181 19.320 1.996 1.00 0.00 H new ATOM 0 HH TYR A 995 -1.694 20.996 0.104 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.201 13.881 -1.297 1.00 0.00 N ATOM 1161 CA GLY A 996 1.228 13.912 -1.548 1.00 0.00 C ATOM 1162 C GLY A 996 1.617 15.076 -2.393 1.00 0.00 C ATOM 1163 O GLY A 996 1.785 14.980 -3.588 1.00 0.00 O ATOM 0 H GLY A 996 -0.793 13.781 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.763 13.957 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.530 12.988 -2.041 1.00 0.00 H new ATOM 1167 N ILE A 997 1.809 16.190 -1.771 1.00 0.00 N ATOM 1168 CA ILE A 997 2.106 17.397 -2.496 1.00 0.00 C ATOM 1169 C ILE A 997 3.611 17.569 -2.615 1.00 0.00 C ATOM 1170 O ILE A 997 4.334 17.417 -1.644 1.00 0.00 O ATOM 1171 CB ILE A 997 1.474 18.600 -1.771 1.00 0.00 C ATOM 1172 CG1 ILE A 997 2.027 19.899 -2.309 1.00 0.00 C ATOM 1173 CG2 ILE A 997 1.696 18.511 -0.267 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.499 21.116 -1.593 1.00 0.00 C ATOM 0 H ILE A 997 1.767 16.299 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 997 1.687 17.335 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 997 0.400 18.576 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 997 3.114 19.883 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 997 1.786 19.977 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 997 1.240 19.373 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 997 1.242 17.596 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 997 2.766 18.500 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 997 1.937 22.014 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 997 0.414 21.155 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 997 1.763 21.060 -0.537 1.00 0.00 H new ATOM 1186 N THR A 998 4.082 17.851 -3.803 1.00 0.00 N ATOM 1187 CA THR A 998 5.494 18.011 -4.035 1.00 0.00 C ATOM 1188 C THR A 998 5.742 19.299 -4.816 1.00 0.00 C ATOM 1189 O THR A 998 5.373 19.407 -5.987 1.00 0.00 O ATOM 1190 CB THR A 998 6.046 16.806 -4.806 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.672 15.596 -4.120 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.558 16.883 -4.915 1.00 0.00 C ATOM 0 H THR A 998 3.501 17.975 -4.632 1.00 0.00 H new ATOM 0 HA THR A 998 6.009 18.071 -3.076 1.00 0.00 H new ATOM 0 HB THR A 998 5.628 16.810 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.107 15.049 -4.705 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.928 16.018 -5.466 1.00 0.00 H new ATOM 0 HG22 THR A 998 7.839 17.795 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 998 7.995 16.891 -3.916 1.00 0.00 H new ATOM 1200 N ILE A 999 6.343 20.262 -4.155 1.00 0.00 N ATOM 1201 CA ILE A 999 6.618 21.551 -4.764 1.00 0.00 C ATOM 1202 C ILE A 999 8.120 21.782 -4.806 1.00 0.00 C ATOM 1203 O ILE A 999 8.778 21.765 -3.755 1.00 0.00 O ATOM 1204 CB ILE A 999 5.931 22.723 -4.011 1.00 0.00 C ATOM 1205 CG1 ILE A 999 4.410 22.526 -3.991 1.00 0.00 C ATOM 1206 CG2 ILE A 999 6.290 24.058 -4.660 1.00 0.00 C ATOM 1207 CD1 ILE A 999 3.654 23.629 -3.277 1.00 0.00 C ATOM 0 H ILE A 999 6.654 20.179 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 999 6.208 21.529 -5.774 1.00 0.00 H new ATOM 0 HB ILE A 999 6.291 22.733 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 999 4.049 22.458 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 999 4.184 21.574 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.800 24.868 -4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 999 7.370 24.200 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 999 5.956 24.060 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 999 2.585 23.416 -3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 999 3.984 23.684 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 999 3.848 24.581 -3.770 1.00 0.00 H new ATOM 1219 N PRO A1000 8.686 21.946 -6.014 1.00 0.00 N ATOM 1220 CA PRO A1000 10.114 22.219 -6.191 1.00 0.00 C ATOM 1221 C PRO A1000 10.551 23.495 -5.469 1.00 0.00 C ATOM 1222 O PRO A1000 9.783 24.463 -5.377 1.00 0.00 O ATOM 1223 CB PRO A1000 10.271 22.384 -7.706 1.00 0.00 C ATOM 1224 CG PRO A1000 9.106 21.664 -8.288 1.00 0.00 C ATOM 1225 CD PRO A1000 7.984 21.851 -7.308 1.00 0.00 C ATOM 0 HA PRO A1000 10.732 21.424 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A1000 10.269 23.436 -7.992 1.00 0.00 H new ATOM 0 HB3 PRO A1000 11.213 21.960 -8.055 1.00 0.00 H new ATOM 0 HG2 PRO A1000 8.844 22.069 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A1000 9.330 20.607 -8.430 1.00 0.00 H new ATOM 0 HD2 PRO A1000 7.408 22.751 -7.521 1.00 0.00 H new ATOM 0 HD3 PRO A1000 7.287 21.014 -7.328 1.00 0.00 H new ATOM 1233 N PRO A1001 11.777 23.503 -4.927 1.00 0.00 N ATOM 1234 CA PRO A1001 12.674 22.371 -4.978 1.00 0.00 C ATOM 1235 C PRO A1001 12.525 21.454 -3.792 1.00 0.00 C ATOM 1236 O PRO A1001 12.644 21.853 -2.626 1.00 0.00 O ATOM 1237 CB PRO A1001 14.055 22.978 -4.988 1.00 0.00 C ATOM 1238 CG PRO A1001 13.872 24.385 -4.566 1.00 0.00 C ATOM 1239 CD PRO A1001 12.417 24.618 -4.254 1.00 0.00 C ATOM 0 HA PRO A1001 12.464 21.753 -5.851 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.722 22.448 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO A1001 14.502 22.921 -5.981 1.00 0.00 H new ATOM 0 HG2 PRO A1001 14.484 24.598 -3.689 1.00 0.00 H new ATOM 0 HG3 PRO A1001 14.201 25.061 -5.356 1.00 0.00 H new ATOM 0 HD2 PRO A1001 12.224 24.611 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A1001 12.068 25.578 -4.634 1.00 0.00 H new ATOM 1247 N ASP A1002 12.336 20.234 -4.174 1.00 0.00 N ATOM 1248 CA ASP A1002 12.074 19.073 -3.317 1.00 0.00 C ATOM 1249 C ASP A1002 11.372 18.062 -4.195 1.00 0.00 C ATOM 1250 O ASP A1002 10.562 18.452 -5.036 1.00 0.00 O ATOM 1251 CB ASP A1002 11.131 19.393 -2.137 1.00 0.00 C ATOM 1252 CG ASP A1002 11.050 18.287 -1.100 1.00 0.00 C ATOM 1253 OD1 ASP A1002 11.862 17.334 -1.147 1.00 0.00 O ATOM 1254 OD2 ASP A1002 10.204 18.384 -0.174 1.00 0.00 O ATOM 0 H ASP A1002 12.358 19.980 -5.162 1.00 0.00 H new ATOM 0 HA ASP A1002 13.017 18.726 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A1002 11.469 20.309 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A1002 10.131 19.588 -2.525 1.00 0.00 H new ATOM 1259 N HIS A1003 11.664 16.788 -4.045 1.00 0.00 N ATOM 1260 CA HIS A1003 10.969 15.785 -4.830 1.00 0.00 C ATOM 1261 C HIS A1003 10.368 14.766 -3.891 1.00 0.00 C ATOM 1262 O HIS A1003 10.326 13.566 -4.145 1.00 0.00 O ATOM 1263 CB HIS A1003 11.853 15.145 -5.922 1.00 0.00 C ATOM 1264 CG HIS A1003 12.981 14.264 -5.467 1.00 0.00 C ATOM 1265 ND1 HIS A1003 13.084 12.944 -5.838 1.00 0.00 N ATOM 1266 CD2 HIS A1003 14.096 14.540 -4.763 1.00 0.00 C ATOM 1267 CE1 HIS A1003 14.215 12.451 -5.388 1.00 0.00 C ATOM 1268 NE2 HIS A1003 14.858 13.399 -4.733 1.00 0.00 N ATOM 0 H HIS A1003 12.365 16.424 -3.399 1.00 0.00 H new ATOM 0 HA HIS A1003 10.169 16.272 -5.387 1.00 0.00 H new ATOM 0 HB2 HIS A1003 11.209 14.557 -6.576 1.00 0.00 H new ATOM 0 HB3 HIS A1003 12.275 15.947 -6.527 1.00 0.00 H new ATOM 0 HD2 HIS A1003 14.345 15.486 -4.306 1.00 0.00 H new ATOM 0 HE1 HIS A1003 14.561 11.438 -5.530 1.00 0.00 H new ATOM 0 HE2 HIS A1003 15.767 13.300 -4.281 1.00 0.00 H new ATOM 1277 N LYS A1004 9.822 15.308 -2.833 1.00 0.00 N ATOM 1278 CA LYS A1004 9.193 14.550 -1.791 1.00 0.00 C ATOM 1279 C LYS A1004 7.927 15.287 -1.393 1.00 0.00 C ATOM 1280 O LYS A1004 7.915 16.525 -1.397 1.00 0.00 O ATOM 1281 CB LYS A1004 10.065 14.481 -0.546 1.00 0.00 C ATOM 1282 CG LYS A1004 11.384 13.746 -0.657 1.00 0.00 C ATOM 1283 CD LYS A1004 12.143 14.005 0.624 1.00 0.00 C ATOM 1284 CE LYS A1004 13.416 13.196 0.775 1.00 0.00 C ATOM 1285 NZ LYS A1004 14.423 13.508 -0.260 1.00 0.00 N ATOM 0 H LYS A1004 9.804 16.315 -2.672 1.00 0.00 H new ATOM 0 HA LYS A1004 9.008 13.541 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A1004 10.274 15.501 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A1004 9.483 14.010 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A1004 11.220 12.678 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A1004 11.951 14.098 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A1004 12.393 15.065 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A1004 11.489 13.790 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A1004 13.845 13.383 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A1004 13.173 12.134 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 15.271 12.925 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 14.029 13.304 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 14.679 14.514 -0.203 1.00 0.00 H new ATOM 1299 N PRO A1005 6.824 14.576 -1.143 1.00 0.00 N ATOM 1300 CA PRO A1005 5.647 15.162 -0.509 1.00 0.00 C ATOM 1301 C PRO A1005 5.948 15.784 0.855 1.00 0.00 C ATOM 1302 O PRO A1005 7.023 15.592 1.432 1.00 0.00 O ATOM 1303 CB PRO A1005 4.691 13.987 -0.378 1.00 0.00 C ATOM 1304 CG PRO A1005 5.060 13.128 -1.524 1.00 0.00 C ATOM 1305 CD PRO A1005 6.562 13.202 -1.588 1.00 0.00 C ATOM 0 HA PRO A1005 5.244 15.988 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.817 13.468 0.572 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.650 14.306 -0.431 1.00 0.00 H new ATOM 0 HG2 PRO A1005 4.720 12.103 -1.376 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.606 13.485 -2.449 1.00 0.00 H new ATOM 0 HD2 PRO A1005 7.034 12.466 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.936 13.022 -2.596 1.00 0.00 H new ATOM 1313 N LYS A1006 4.975 16.494 1.377 1.00 0.00 N ATOM 1314 CA LYS A1006 5.156 17.267 2.598 1.00 0.00 C ATOM 1315 C LYS A1006 4.386 16.670 3.765 1.00 0.00 C ATOM 1316 O LYS A1006 4.926 16.498 4.850 1.00 0.00 O ATOM 1317 CB LYS A1006 4.724 18.726 2.400 1.00 0.00 C ATOM 1318 CG LYS A1006 5.722 19.640 1.690 1.00 0.00 C ATOM 1319 CD LYS A1006 6.087 19.187 0.284 1.00 0.00 C ATOM 1320 CE LYS A1006 7.050 20.152 -0.390 1.00 0.00 C ATOM 1321 NZ LYS A1006 8.362 20.245 0.297 1.00 0.00 N ATOM 0 H LYS A1006 4.039 16.556 0.976 1.00 0.00 H new ATOM 0 HA LYS A1006 6.220 17.235 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A1006 3.792 18.733 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A1006 4.506 19.153 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A1006 5.305 20.646 1.639 1.00 0.00 H new ATOM 0 HG3 LYS A1006 6.631 19.702 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A1006 6.538 18.195 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A1006 5.181 19.100 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A1006 7.209 19.836 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A1006 6.596 21.142 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 8.960 20.943 -0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 8.217 20.542 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 8.829 19.316 0.280 1.00 0.00 H new ATOM 1335 N SER A1007 3.138 16.326 3.521 1.00 0.00 N ATOM 1336 CA SER A1007 2.259 15.862 4.562 1.00 0.00 C ATOM 1337 C SER A1007 1.116 15.122 3.889 1.00 0.00 C ATOM 1338 O SER A1007 0.694 15.531 2.812 1.00 0.00 O ATOM 1339 CB SER A1007 1.746 17.069 5.363 1.00 0.00 C ATOM 1340 OG SER A1007 1.066 16.682 6.551 1.00 0.00 O ATOM 0 H SER A1007 2.710 16.362 2.596 1.00 0.00 H new ATOM 0 HA SER A1007 2.770 15.195 5.256 1.00 0.00 H new ATOM 0 HB2 SER A1007 2.586 17.713 5.622 1.00 0.00 H new ATOM 0 HB3 SER A1007 1.074 17.657 4.738 1.00 0.00 H new ATOM 0 HG SER A1007 0.760 17.482 7.028 1.00 0.00 H new ATOM 1346 N TRP A1008 0.607 14.107 4.559 1.00 0.00 N ATOM 1347 CA TRP A1008 -0.413 13.221 4.014 1.00 0.00 C ATOM 1348 C TRP A1008 -1.675 13.462 4.818 1.00 0.00 C ATOM 1349 O TRP A1008 -1.677 13.379 6.048 1.00 0.00 O ATOM 1350 CB TRP A1008 0.048 11.759 4.070 1.00 0.00 C ATOM 1351 CG TRP A1008 1.408 11.562 3.489 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.593 11.688 4.136 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.722 11.216 2.132 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.617 11.407 3.280 1.00 0.00 N ATOM 1355 CE2 TRP A1008 3.115 11.122 2.045 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.963 10.968 0.988 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.769 10.791 0.864 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.608 10.642 -0.185 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.999 10.554 -0.239 1.00 0.00 C ATOM 0 H TRP A1008 0.891 13.868 5.509 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.601 13.429 2.961 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.048 11.422 5.106 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.666 11.136 3.532 1.00 0.00 H new ATOM 0 HD1 TRP A1008 2.709 11.968 5.173 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.607 11.410 3.526 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.115 11.031 1.021 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.846 10.724 0.820 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 1.028 10.452 -1.076 1.00 0.00 H new ATOM 0 HH2 TRP A1008 3.477 10.293 -1.172 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.731 13.793 4.109 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.970 14.286 4.681 1.00 0.00 C ATOM 1372 C VAL A1009 -5.100 13.710 3.825 1.00 0.00 C ATOM 1373 O VAL A1009 -4.861 13.327 2.668 1.00 0.00 O ATOM 1374 CB VAL A1009 -4.022 15.856 4.644 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -5.268 16.416 5.310 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -2.788 16.491 5.278 1.00 0.00 C ATOM 0 H VAL A1009 -2.755 13.726 3.091 1.00 0.00 H new ATOM 0 HA VAL A1009 -4.058 13.984 5.725 1.00 0.00 H new ATOM 0 HB VAL A1009 -4.049 16.115 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -5.252 17.505 5.255 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -6.154 16.040 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -5.293 16.105 6.355 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.871 17.577 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -2.714 16.180 6.320 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -1.896 16.170 4.739 1.00 0.00 H new ATOM 1386 N ALA A1010 -6.310 13.705 4.351 1.00 0.00 N ATOM 1387 CA ALA A1010 -7.446 13.113 3.668 1.00 0.00 C ATOM 1388 C ALA A1010 -8.205 14.147 2.850 1.00 0.00 C ATOM 1389 O ALA A1010 -9.198 13.826 2.187 1.00 0.00 O ATOM 1390 CB ALA A1010 -8.383 12.478 4.678 1.00 0.00 C ATOM 0 H ALA A1010 -6.534 14.109 5.260 1.00 0.00 H new ATOM 0 HA ALA A1010 -7.066 12.352 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -9.233 12.036 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.852 11.702 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.739 13.239 5.373 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.764 15.390 2.890 1.00 0.00 N ATOM 1397 CA ALA A1011 -8.483 16.461 2.223 1.00 0.00 C ATOM 1398 C ALA A1011 -7.829 16.816 0.904 1.00 0.00 C ATOM 1399 O ALA A1011 -6.657 17.209 0.856 1.00 0.00 O ATOM 1400 CB ALA A1011 -8.566 17.684 3.124 1.00 0.00 C ATOM 0 H ALA A1011 -6.916 15.683 3.375 1.00 0.00 H new ATOM 0 HA ALA A1011 -9.494 16.112 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -9.108 18.478 2.610 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -9.090 17.424 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -7.560 18.028 3.364 1.00 0.00 H new ATOM 1406 N GLU A1012 -8.560 16.604 -0.170 1.00 0.00 N ATOM 1407 CA GLU A1012 -8.091 16.939 -1.488 1.00 0.00 C ATOM 1408 C GLU A1012 -8.059 18.444 -1.689 1.00 0.00 C ATOM 1409 O GLU A1012 -9.081 19.129 -1.680 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.943 16.262 -2.564 1.00 0.00 C ATOM 1411 CG GLU A1012 -8.416 16.481 -3.975 1.00 0.00 C ATOM 1412 CD GLU A1012 -6.983 16.026 -4.144 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -6.517 15.152 -3.373 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -6.320 16.493 -5.069 1.00 0.00 O ATOM 0 H GLU A1012 -9.494 16.195 -0.149 1.00 0.00 H new ATOM 0 HA GLU A1012 -7.071 16.565 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.988 15.192 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.963 16.641 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -9.049 15.943 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -8.488 17.540 -4.224 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.858 18.932 -1.860 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.594 20.329 -2.095 1.00 0.00 C ATOM 1423 C LYS A1013 -5.894 20.466 -3.415 1.00 0.00 C ATOM 1424 O LYS A1013 -5.123 19.588 -3.789 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.726 20.923 -0.993 1.00 0.00 C ATOM 1426 CG LYS A1013 -6.478 21.170 0.288 1.00 0.00 C ATOM 1427 CD LYS A1013 -5.610 21.868 1.319 1.00 0.00 C ATOM 1428 CE LYS A1013 -6.388 22.236 2.573 1.00 0.00 C ATOM 1429 NZ LYS A1013 -7.563 23.092 2.267 1.00 0.00 N ATOM 0 H LYS A1013 -6.016 18.356 -1.839 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.540 20.870 -2.102 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -4.893 20.249 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -5.299 21.863 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -7.359 21.778 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -6.832 20.221 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -4.776 21.219 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -5.183 22.770 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -6.722 21.327 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -5.730 22.758 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -7.904 23.540 3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -7.288 23.828 1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -8.321 22.508 1.859 1.00 0.00 H new ATOM 1443 N MET A1014 -6.139 21.560 -4.086 1.00 0.00 N ATOM 1444 CA MET A1014 -5.574 21.834 -5.397 1.00 0.00 C ATOM 1445 C MET A1014 -4.079 21.656 -5.437 1.00 0.00 C ATOM 1446 O MET A1014 -3.556 21.154 -6.428 1.00 0.00 O ATOM 1447 CB MET A1014 -5.929 23.235 -5.802 1.00 0.00 C ATOM 1448 CG MET A1014 -5.436 23.657 -7.179 1.00 0.00 C ATOM 1449 SD MET A1014 -5.889 25.353 -7.598 1.00 0.00 S ATOM 1450 CE MET A1014 -5.098 26.272 -6.276 1.00 0.00 C ATOM 0 H MET A1014 -6.745 22.303 -3.739 1.00 0.00 H new ATOM 0 HA MET A1014 -5.997 21.112 -6.095 1.00 0.00 H new ATOM 0 HB2 MET A1014 -7.014 23.340 -5.774 1.00 0.00 H new ATOM 0 HB3 MET A1014 -5.523 23.924 -5.062 1.00 0.00 H new ATOM 0 HG2 MET A1014 -4.351 23.556 -7.218 1.00 0.00 H new ATOM 0 HG3 MET A1014 -5.846 22.981 -7.929 1.00 0.00 H new ATOM 0 HE1 MET A1014 -4.965 27.309 -6.583 1.00 0.00 H new ATOM 0 HE2 MET A1014 -5.722 26.235 -5.383 1.00 0.00 H new ATOM 0 HE3 MET A1014 -4.126 25.830 -6.057 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.398 22.039 -4.356 1.00 0.00 N ATOM 1461 CA TYR A1015 -1.941 21.909 -4.248 1.00 0.00 C ATOM 1462 C TYR A1015 -1.427 20.482 -4.486 1.00 0.00 C ATOM 1463 O TYR A1015 -0.222 20.271 -4.615 1.00 0.00 O ATOM 1464 CB TYR A1015 -1.500 22.380 -2.864 1.00 0.00 C ATOM 1465 CG TYR A1015 -2.091 23.708 -2.445 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -1.803 24.880 -3.133 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -2.955 23.780 -1.361 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -2.358 26.086 -2.747 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -3.512 24.978 -0.970 1.00 0.00 C ATOM 1470 CZ TYR A1015 -3.211 26.128 -1.664 1.00 0.00 C ATOM 1471 OH TYR A1015 -3.774 27.323 -1.275 1.00 0.00 O ATOM 0 H TYR A1015 -3.838 22.447 -3.531 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.511 22.528 -5.036 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -1.777 21.624 -2.130 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -0.413 22.457 -2.848 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -1.136 24.849 -3.982 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -3.195 22.880 -0.814 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -2.125 26.990 -3.290 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -4.181 25.015 -0.123 1.00 0.00 H new ATOM 0 HH TYR A1015 -4.350 27.175 -0.496 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.330 19.510 -4.509 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.965 18.127 -4.814 1.00 0.00 C ATOM 1483 C HIS A1016 -1.306 18.004 -6.178 1.00 0.00 C ATOM 1484 O HIS A1016 -1.946 18.199 -7.214 1.00 0.00 O ATOM 1485 CB HIS A1016 -3.187 17.240 -4.798 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.583 16.713 -3.475 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -4.283 17.426 -2.557 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -3.436 15.489 -2.967 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -4.565 16.659 -1.530 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -4.067 15.461 -1.750 1.00 0.00 N ATOM 0 H HIS A1016 -3.322 19.651 -4.320 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.258 17.813 -4.046 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -4.025 17.801 -5.210 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -3.009 16.397 -5.465 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -4.549 18.406 -2.651 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -2.913 14.666 -3.431 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -5.114 16.961 -0.651 1.00 0.00 H new ATOM 1499 N THR A1017 -0.027 17.724 -6.147 1.00 0.00 N ATOM 1500 CA THR A1017 0.764 17.475 -7.333 1.00 0.00 C ATOM 1501 C THR A1017 0.888 15.971 -7.550 1.00 0.00 C ATOM 1502 O THR A1017 0.993 15.459 -8.656 1.00 0.00 O ATOM 1503 CB THR A1017 2.155 18.058 -7.089 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.196 18.607 -5.754 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.477 19.135 -8.102 1.00 0.00 C ATOM 0 H THR A1017 0.507 17.661 -5.280 1.00 0.00 H new ATOM 0 HA THR A1017 0.298 17.928 -8.208 1.00 0.00 H new ATOM 0 HB THR A1017 2.899 17.268 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A1017 2.813 19.368 -5.732 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.472 19.533 -7.906 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.447 18.711 -9.106 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.744 19.938 -8.025 1.00 0.00 H new ATOM 1513 N HIS A1018 0.885 15.279 -6.446 1.00 0.00 N ATOM 1514 CA HIS A1018 1.062 13.831 -6.413 1.00 0.00 C ATOM 1515 C HIS A1018 0.056 13.256 -5.446 1.00 0.00 C ATOM 1516 O HIS A1018 -0.482 13.975 -4.589 1.00 0.00 O ATOM 1517 CB HIS A1018 2.492 13.392 -5.984 1.00 0.00 C ATOM 1518 CG HIS A1018 3.625 13.870 -6.855 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.877 14.171 -6.367 1.00 0.00 N ATOM 1520 CD2 HIS A1018 3.706 14.041 -8.189 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.672 14.498 -7.370 1.00 0.00 C ATOM 1522 NE2 HIS A1018 4.985 14.429 -8.485 1.00 0.00 N ATOM 0 H HIS A1018 0.759 15.698 -5.525 1.00 0.00 H new ATOM 0 HA HIS A1018 0.913 13.458 -7.426 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.668 13.746 -4.968 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.521 12.303 -5.952 1.00 0.00 H new ATOM 0 HD2 HIS A1018 2.905 13.897 -8.899 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.712 14.775 -7.286 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.344 14.631 -9.418 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.279 12.010 -5.623 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.188 11.353 -4.734 1.00 0.00 C ATOM 1533 C ARG A1019 -0.876 9.866 -4.757 1.00 0.00 C ATOM 1534 O ARG A1019 -0.575 9.311 -5.814 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.615 11.634 -5.193 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.668 10.951 -4.377 1.00 0.00 C ATOM 1537 CD ARG A1019 -5.014 11.036 -5.052 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.848 12.184 -4.698 1.00 0.00 N ATOM 1539 CZ ARG A1019 -7.191 12.129 -4.729 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.808 11.116 -5.333 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -7.904 13.104 -4.204 1.00 0.00 N ATOM 0 H ARG A1019 0.069 11.426 -6.383 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.084 11.718 -3.712 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -2.789 12.710 -5.163 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.718 11.323 -6.233 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -3.397 9.906 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -3.723 11.410 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -4.855 11.049 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -5.569 10.127 -4.822 1.00 0.00 H new ATOM 0 HE ARG A1019 -5.396 13.055 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.262 10.377 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.827 11.079 -5.354 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -7.437 13.902 -3.773 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -8.923 13.061 -4.228 1.00 0.00 H new ATOM 1555 N ARG A1020 -0.919 9.251 -3.598 1.00 0.00 N ATOM 1556 CA ARG A1020 -0.604 7.831 -3.433 1.00 0.00 C ATOM 1557 C ARG A1020 -1.653 7.225 -2.581 1.00 0.00 C ATOM 1558 O ARG A1020 -2.471 7.931 -2.027 1.00 0.00 O ATOM 1559 CB ARG A1020 0.692 7.601 -2.678 1.00 0.00 C ATOM 1560 CG ARG A1020 1.933 8.165 -3.295 1.00 0.00 C ATOM 1561 CD ARG A1020 3.114 7.752 -2.457 1.00 0.00 C ATOM 1562 NE ARG A1020 4.350 8.314 -2.946 1.00 0.00 N ATOM 1563 CZ ARG A1020 5.463 8.408 -2.200 1.00 0.00 C ATOM 1564 NH1 ARG A1020 5.442 8.004 -0.927 1.00 0.00 N ATOM 1565 NH2 ARG A1020 6.591 8.902 -2.703 1.00 0.00 N ATOM 0 H ARG A1020 -1.175 9.718 -2.728 1.00 0.00 H new ATOM 0 HA ARG A1020 -0.532 7.404 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.585 8.024 -1.679 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.830 6.527 -2.556 1.00 0.00 H new ATOM 0 HG2 ARG A1020 2.047 7.801 -4.316 1.00 0.00 H new ATOM 0 HG3 ARG A1020 1.869 9.252 -3.349 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.955 8.069 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A1020 3.189 6.665 -2.448 1.00 0.00 H new ATOM 0 HE ARG A1020 4.380 8.657 -3.906 1.00 0.00 H new ATOM 0 HH11 ARG A1020 4.584 7.626 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG A1020 6.284 8.073 -0.356 1.00 0.00 H new ATOM 0 HH21 ARG A1020 6.622 9.218 -3.672 1.00 0.00 H new ATOM 0 HH22 ARG A1020 7.425 8.965 -2.119 1.00 0.00 H new ATOM 1579 N ARG A1021 -1.681 5.927 -2.569 1.00 0.00 N ATOM 1580 CA ARG A1021 -2.481 5.193 -1.618 1.00 0.00 C ATOM 1581 C ARG A1021 -1.885 3.827 -1.444 1.00 0.00 C ATOM 1582 O ARG A1021 -1.221 3.334 -2.350 1.00 0.00 O ATOM 1583 CB ARG A1021 -3.910 5.067 -2.104 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.026 4.547 -3.516 1.00 0.00 C ATOM 1585 CD ARG A1021 -5.460 4.430 -3.913 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.548 4.148 -5.324 1.00 0.00 N ATOM 1587 CZ ARG A1021 -6.623 3.583 -5.898 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -7.603 3.118 -5.130 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -6.733 3.518 -7.222 1.00 0.00 N ATOM 0 H ARG A1021 -1.153 5.341 -3.215 1.00 0.00 H new ATOM 0 HA ARG A1021 -2.490 5.727 -0.668 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -4.455 4.401 -1.435 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -4.392 6.043 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.506 5.217 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -3.541 3.574 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -5.943 3.637 -3.342 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -5.989 5.355 -3.683 1.00 0.00 H new ATOM 0 HE ARG A1021 -4.754 4.390 -5.917 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -7.534 3.192 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.424 2.687 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -5.996 3.900 -7.814 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -7.555 3.086 -7.645 1.00 0.00 H new ATOM 1603 N ARG A1022 -2.100 3.224 -0.304 1.00 0.00 N ATOM 1604 CA ARG A1022 -1.643 1.893 -0.079 1.00 0.00 C ATOM 1605 C ARG A1022 -2.696 0.930 -0.588 1.00 0.00 C ATOM 1606 O ARG A1022 -3.848 1.006 -0.174 1.00 0.00 O ATOM 1607 CB ARG A1022 -1.443 1.666 1.409 1.00 0.00 C ATOM 1608 CG ARG A1022 -1.234 0.214 1.773 1.00 0.00 C ATOM 1609 CD ARG A1022 -1.276 0.022 3.268 1.00 0.00 C ATOM 1610 NE ARG A1022 -0.192 0.711 3.915 1.00 0.00 N ATOM 1611 CZ ARG A1022 -0.154 0.999 5.224 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -1.236 0.853 5.982 1.00 0.00 N ATOM 1613 NH2 ARG A1022 0.954 1.474 5.775 1.00 0.00 N ATOM 0 H ARG A1022 -2.593 3.644 0.484 1.00 0.00 H new ATOM 0 HA ARG A1022 -0.698 1.734 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -0.582 2.244 1.745 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -2.312 2.046 1.947 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -2.004 -0.397 1.302 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -0.274 -0.128 1.385 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -2.226 0.388 3.657 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -1.225 -1.041 3.502 1.00 0.00 H new ATOM 0 HE ARG A1022 0.600 0.999 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -2.107 0.519 5.569 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -1.196 1.075 6.977 1.00 0.00 H new ATOM 0 HH21 ARG A1022 1.785 1.623 5.203 1.00 0.00 H new ATOM 0 HH22 ARG A1022 0.976 1.691 6.771 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.330 0.093 -1.520 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.169 -0.993 -1.897 1.00 0.00 C ATOM 1629 C LEU A1023 -2.824 -2.107 -0.944 1.00 0.00 C ATOM 1630 O LEU A1023 -1.644 -2.387 -0.709 1.00 0.00 O ATOM 1631 CB LEU A1023 -2.952 -1.401 -3.351 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.183 -0.285 -4.375 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -2.806 -0.764 -5.759 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -4.636 0.172 -4.368 1.00 0.00 C ATOM 0 H LEU A1023 -1.449 0.150 -2.031 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.224 -0.725 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -1.932 -1.770 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -3.619 -2.231 -3.584 1.00 0.00 H new ATOM 0 HG LEU A1023 -2.554 0.561 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -2.974 0.037 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -1.754 -1.049 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -3.418 -1.626 -6.025 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -4.772 0.964 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -5.283 -0.669 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -4.894 0.548 -3.378 1.00 0.00 H new ATOM 1646 N VAL A1024 -3.830 -2.676 -0.342 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.619 -3.639 0.712 1.00 0.00 C ATOM 1648 C VAL A1024 -3.949 -5.034 0.284 1.00 0.00 C ATOM 1649 O VAL A1024 -4.938 -5.276 -0.412 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.404 -3.317 2.005 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -3.812 -2.114 2.692 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -5.886 -3.085 1.729 1.00 0.00 C ATOM 0 H VAL A1024 -4.809 -2.492 -0.561 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.554 -3.570 0.932 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.321 -4.184 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.375 -1.900 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -2.772 -2.317 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -3.859 -1.254 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.400 -2.862 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.001 -2.246 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.318 -3.981 1.283 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.069 -5.921 0.641 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.317 -7.334 0.495 1.00 0.00 C ATOM 1664 C ARG A1025 -2.697 -8.014 1.695 1.00 0.00 C ATOM 1665 O ARG A1025 -1.496 -8.219 1.735 1.00 0.00 O ATOM 1666 CB ARG A1025 -2.670 -7.887 -0.766 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.187 -9.248 -1.184 1.00 0.00 C ATOM 1668 CD ARG A1025 -4.492 -9.125 -1.933 1.00 0.00 C ATOM 1669 NE ARG A1025 -5.031 -10.429 -2.322 1.00 0.00 N ATOM 1670 CZ ARG A1025 -4.747 -11.076 -3.456 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -3.854 -10.575 -4.305 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -5.365 -12.225 -3.723 1.00 0.00 N ATOM 0 H ARG A1025 -2.159 -5.692 1.041 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.390 -7.512 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -2.832 -7.183 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -1.593 -7.952 -0.610 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -2.448 -9.744 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -3.327 -9.874 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.219 -8.604 -1.310 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -4.342 -8.515 -2.824 1.00 0.00 H new ATOM 0 HE ARG A1025 -5.676 -10.881 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -3.384 -9.695 -4.091 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -3.639 -11.071 -5.170 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -6.047 -12.602 -3.065 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -5.156 -12.728 -4.586 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.488 -8.305 2.691 1.00 0.00 N ATOM 1687 CA LYS A1026 -2.980 -8.947 3.880 1.00 0.00 C ATOM 1688 C LYS A1026 -2.709 -10.423 3.562 1.00 0.00 C ATOM 1689 O LYS A1026 -3.337 -11.016 2.675 1.00 0.00 O ATOM 1690 CB LYS A1026 -3.976 -8.674 5.034 1.00 0.00 C ATOM 1691 CG LYS A1026 -3.638 -9.269 6.392 1.00 0.00 C ATOM 1692 CD LYS A1026 -4.084 -10.713 6.497 1.00 0.00 C ATOM 1693 CE LYS A1026 -5.568 -10.866 6.853 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.517 -10.239 5.885 1.00 0.00 N ATOM 0 H LYS A1026 -4.489 -8.109 2.706 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.022 -8.548 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.071 -7.595 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -4.954 -9.050 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -2.563 -9.207 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.117 -8.682 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -3.891 -11.215 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.482 -11.218 7.253 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -5.800 -11.928 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -5.737 -10.431 7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -7.493 -10.479 6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -6.398 -9.206 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.322 -10.595 4.927 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.775 -11.008 4.280 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.284 -12.338 3.991 1.00 0.00 C ATOM 1710 C ARG A1027 -1.050 -12.995 5.315 1.00 0.00 C ATOM 1711 O ARG A1027 -1.074 -12.315 6.315 1.00 0.00 O ATOM 1712 CB ARG A1027 0.003 -12.275 3.142 1.00 0.00 C ATOM 1713 CG ARG A1027 1.048 -11.300 3.667 1.00 0.00 C ATOM 1714 CD ARG A1027 2.154 -11.021 2.654 1.00 0.00 C ATOM 1715 NE ARG A1027 3.103 -12.115 2.487 1.00 0.00 N ATOM 1716 CZ ARG A1027 4.365 -11.917 2.093 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.728 -10.778 1.527 1.00 0.00 N ATOM 1718 NH2 ARG A1027 5.277 -12.861 2.237 1.00 0.00 N ATOM 0 H ARG A1027 -1.331 -10.570 5.087 1.00 0.00 H new ATOM 0 HA ARG A1027 -2.001 -12.911 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.443 -13.271 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.261 -11.994 2.122 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.562 -10.362 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.489 -11.703 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.699 -10.799 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.697 -10.128 2.963 1.00 0.00 H new ATOM 0 HE ARG A1027 2.792 -13.068 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A1027 4.041 -10.037 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.694 -10.641 1.231 1.00 0.00 H new ATOM 0 HH21 ARG A1027 5.023 -13.757 2.654 1.00 0.00 H new ATOM 0 HH22 ARG A1027 6.236 -12.695 1.931 1.00 0.00 H new ATOM 1732 N LYS A1028 -0.861 -14.278 5.336 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.682 -14.997 6.573 1.00 0.00 C ATOM 1734 C LYS A1028 0.081 -16.258 6.348 1.00 0.00 C ATOM 1735 O LYS A1028 0.033 -16.829 5.298 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.008 -15.325 7.225 1.00 0.00 C ATOM 1737 CG LYS A1028 -3.029 -15.885 6.273 1.00 0.00 C ATOM 1738 CD LYS A1028 -4.303 -16.216 6.993 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.781 -15.087 7.890 1.00 0.00 C ATOM 1740 NZ LYS A1028 -6.101 -15.400 8.470 1.00 0.00 N ATOM 0 H LYS A1028 -0.825 -14.862 4.500 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.118 -14.346 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -1.840 -16.043 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.410 -14.422 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -3.230 -15.163 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -2.633 -16.781 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -5.078 -16.447 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -4.153 -17.113 7.594 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -4.058 -14.921 8.689 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.841 -14.162 7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.536 -14.528 8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.713 -15.812 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -5.986 -16.080 9.248 1.00 0.00 H new ATOM 1754 N LYS A1029 0.759 -16.685 7.363 1.00 0.00 N ATOM 1755 CA LYS A1029 1.587 -17.881 7.285 1.00 0.00 C ATOM 1756 C LYS A1029 0.719 -19.043 7.708 1.00 0.00 C ATOM 1757 O LYS A1029 0.954 -20.210 7.398 1.00 0.00 O ATOM 1758 CB LYS A1029 2.727 -17.735 8.281 1.00 0.00 C ATOM 1759 CG LYS A1029 3.858 -18.709 8.107 1.00 0.00 C ATOM 1760 CD LYS A1029 4.915 -18.539 9.184 1.00 0.00 C ATOM 1761 CE LYS A1029 5.422 -17.113 9.258 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.535 -16.972 10.224 1.00 0.00 N ATOM 0 H LYS A1029 0.766 -16.228 8.275 1.00 0.00 H new ATOM 0 HA LYS A1029 1.986 -18.031 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.126 -16.723 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.325 -17.846 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.469 -19.727 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.312 -18.569 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A1029 4.499 -18.827 10.150 1.00 0.00 H new ATOM 0 HD3 LYS A1029 5.749 -19.211 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.756 -16.795 8.270 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.605 -16.452 9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 6.853 -15.982 10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.210 -17.251 11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.325 -17.584 9.935 1.00 0.00 H new ATOM 1776 N ASP A1030 -0.312 -18.632 8.429 1.00 0.00 N ATOM 1777 CA ASP A1030 -1.244 -19.479 9.188 1.00 0.00 C ATOM 1778 C ASP A1030 -0.470 -20.515 10.022 1.00 0.00 C ATOM 1779 O ASP A1030 -0.962 -21.597 10.335 1.00 0.00 O ATOM 1780 CB ASP A1030 -2.288 -20.127 8.269 1.00 0.00 C ATOM 1781 CG ASP A1030 -3.520 -20.576 9.036 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -4.207 -19.716 9.627 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -3.860 -21.774 9.030 1.00 0.00 O ATOM 0 H ASP A1030 -0.542 -17.642 8.511 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.798 -18.849 9.884 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -2.581 -19.417 7.496 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -1.844 -20.984 7.763 1.00 0.00 H new ATOM 1788 N LEU A1031 0.766 -20.126 10.374 1.00 0.00 N ATOM 1789 CA LEU A1031 1.712 -20.882 11.198 1.00 0.00 C ATOM 1790 C LEU A1031 2.300 -22.122 10.499 1.00 0.00 C ATOM 1791 O LEU A1031 3.518 -22.315 10.499 1.00 0.00 O ATOM 1792 CB LEU A1031 1.089 -21.287 12.540 1.00 0.00 C ATOM 1793 CG LEU A1031 2.014 -22.063 13.472 1.00 0.00 C ATOM 1794 CD1 LEU A1031 3.106 -21.172 14.045 1.00 0.00 C ATOM 1795 CD2 LEU A1031 1.224 -22.748 14.575 1.00 0.00 C ATOM 0 H LEU A1031 1.148 -19.229 10.074 1.00 0.00 H new ATOM 0 HA LEU A1031 2.542 -20.197 11.373 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.752 -20.386 13.054 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.204 -21.892 12.345 1.00 0.00 H new ATOM 0 HG LEU A1031 2.505 -22.837 12.882 1.00 0.00 H new ATOM 0 HD11 LEU A1031 3.746 -21.759 14.704 1.00 0.00 H new ATOM 0 HD12 LEU A1031 3.704 -20.760 13.232 1.00 0.00 H new ATOM 0 HD13 LEU A1031 2.652 -20.358 14.610 1.00 0.00 H new ATOM 0 HD21 LEU A1031 1.907 -23.294 15.226 1.00 0.00 H new ATOM 0 HD22 LEU A1031 0.688 -21.999 15.158 1.00 0.00 H new ATOM 0 HD23 LEU A1031 0.510 -23.443 14.133 1.00 0.00 H new ATOM 1807 N THR A1032 1.458 -22.934 9.878 1.00 0.00 N ATOM 1808 CA THR A1032 1.882 -24.234 9.365 1.00 0.00 C ATOM 1809 C THR A1032 2.387 -24.194 7.903 1.00 0.00 C ATOM 1810 O THR A1032 2.557 -25.237 7.261 1.00 0.00 O ATOM 1811 CB THR A1032 0.743 -25.282 9.567 1.00 0.00 C ATOM 1812 OG1 THR A1032 1.159 -26.599 9.176 1.00 0.00 O ATOM 1813 CG2 THR A1032 -0.517 -24.906 8.800 1.00 0.00 C ATOM 0 H THR A1032 0.475 -22.718 9.715 1.00 0.00 H new ATOM 0 HA THR A1032 2.751 -24.541 9.947 1.00 0.00 H new ATOM 0 HB THR A1032 0.517 -25.283 10.633 1.00 0.00 H new ATOM 0 HG1 THR A1032 1.747 -26.538 8.395 1.00 0.00 H new ATOM 0 HG21 THR A1032 -1.284 -25.662 8.968 1.00 0.00 H new ATOM 0 HG22 THR A1032 -0.879 -23.938 9.147 1.00 0.00 H new ATOM 0 HG23 THR A1032 -0.291 -24.849 7.735 1.00 0.00 H new ATOM 1821 N GLN A1033 2.670 -23.015 7.381 1.00 0.00 N ATOM 1822 CA GLN A1033 3.244 -22.898 6.043 1.00 0.00 C ATOM 1823 C GLN A1033 4.601 -22.230 6.096 1.00 0.00 C ATOM 1824 O GLN A1033 4.711 -21.084 6.487 1.00 0.00 O ATOM 1825 CB GLN A1033 2.320 -22.135 5.087 1.00 0.00 C ATOM 1826 CG GLN A1033 1.373 -23.024 4.300 1.00 0.00 C ATOM 1827 CD GLN A1033 0.294 -22.239 3.579 1.00 0.00 C ATOM 1828 OE1 GLN A1033 -0.788 -22.026 4.129 1.00 0.00 O ATOM 1829 NE2 GLN A1033 0.570 -21.783 2.370 1.00 0.00 N ATOM 0 H GLN A1033 2.515 -22.126 7.856 1.00 0.00 H new ATOM 0 HA GLN A1033 3.361 -23.911 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A1033 1.735 -21.416 5.661 1.00 0.00 H new ATOM 0 HB3 GLN A1033 2.930 -21.563 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A1033 1.944 -23.601 3.572 1.00 0.00 H new ATOM 0 HG3 GLN A1033 0.905 -23.738 4.977 1.00 0.00 H new ATOM 0 HE21 GLN A1033 1.477 -21.979 1.946 1.00 0.00 H new ATOM 0 HE22 GLN A1033 -0.124 -21.235 1.861 1.00 0.00 H new