USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 998 THR OG1 : rot 180:sc= -0.12 USER MOD Set 1.2: A1017 THR OG1 : rot 90:sc= 0.126 USER MOD Set 2.1: A 939 SER OG : rot 52:sc= 1.23 USER MOD Set 2.2: A1018 HIS : no HD1:sc= -0.0145 X(o=1.2,f=1.2) USER MOD Set 3.1: A 937 ASN : amide:sc= 1.3 K(o=2.5,f=-5.2!) USER MOD Set 3.2: A 954 THR OG1 : rot 89:sc= 1.22 USER MOD Set 4.1: A 936 GLN : amide:sc= 0.167 K(o=0.87,f=-3.1!) USER MOD Set 4.2: A 953 TYR OH : rot 61:sc= 0.704 USER MOD Set 5.1: A 928 THR OG1 : rot -150:sc= -0.209 USER MOD Set 5.2: A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 927 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot 180:sc= 0.00282 USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ -142:sc= 1.29 (180deg=0.749) USER MOD Single : A 952 THR OG1 : rot 180:sc= 0.00475 USER MOD Single : A 957 ASN : amide:sc= 1.11 K(o=1.1,f=-0.014) USER MOD Single : A 960 LYS NZ :NH3+ 171:sc=-0.000306 (180deg=-0.0766) USER MOD Single : A 963 SER OG : rot -86:sc= 0.848 USER MOD Single : A 965 SER OG : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0 USER MOD Single : A 969 CYS SG : rot 31:sc= 0.0806 USER MOD Single : A 981 SER OG : rot 180:sc= 0.0734 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.66) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 995 TYR OH : rot -15:sc= 0 USER MOD Single : A1003 HIS : no HD1:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A1004 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 LYS NZ :NH3+ 171:sc= 1.01 (180deg=0.779) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1014 MET CE :methyl 157:sc= -0.245 (180deg=-1.11) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HE2:sc= -6.18! C(o=-6.2!,f=-17!) USER MOD Single : A1026 LYS NZ :NH3+ -172:sc=-0.00832 (180deg=-0.0921) USER MOD Single : A1028 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.04) USER MOD Single : A1032 THR OG1 : rot -18:sc= 0.409 USER MOD Single : A1033 GLN : amide:sc= -6.97! C(o=-7!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -1.010 -18.360 14.157 1.00 0.00 N ATOM 122 CA HIS A 927 -0.459 -18.322 12.848 1.00 0.00 C ATOM 123 C HIS A 927 0.577 -17.234 12.865 1.00 0.00 C ATOM 124 O HIS A 927 1.330 -17.064 13.820 1.00 0.00 O ATOM 125 CB HIS A 927 -1.533 -17.936 11.828 1.00 0.00 C ATOM 126 CG HIS A 927 -2.850 -18.638 11.973 1.00 0.00 C ATOM 127 ND1 HIS A 927 -3.030 -20.000 11.819 1.00 0.00 N ATOM 128 CD2 HIS A 927 -4.058 -18.141 12.306 1.00 0.00 C ATOM 129 CE1 HIS A 927 -4.291 -20.297 12.049 1.00 0.00 C ATOM 130 NE2 HIS A 927 -4.932 -19.192 12.347 1.00 0.00 N ATOM 0 HA HIS A 927 -0.049 -19.295 12.575 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -1.705 -16.862 11.898 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -1.146 -18.132 10.828 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.292 -17.105 12.504 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -4.725 -21.285 12.001 1.00 0.00 H new ATOM 0 HE2 HIS A 927 -5.924 -19.127 12.573 1.00 0.00 H new ATOM 139 N THR A 928 0.599 -16.518 11.788 1.00 0.00 N ATOM 140 CA THR A 928 1.362 -15.342 11.613 1.00 0.00 C ATOM 141 C THR A 928 0.748 -14.770 10.379 1.00 0.00 C ATOM 142 O THR A 928 0.704 -15.451 9.364 1.00 0.00 O ATOM 143 CB THR A 928 2.842 -15.587 11.314 1.00 0.00 C ATOM 144 OG1 THR A 928 3.209 -16.942 11.631 1.00 0.00 O ATOM 145 CG2 THR A 928 3.693 -14.630 12.128 1.00 0.00 C ATOM 0 H THR A 928 0.050 -16.759 10.963 1.00 0.00 H new ATOM 0 HA THR A 928 1.346 -14.730 12.515 1.00 0.00 H new ATOM 0 HB THR A 928 3.011 -15.419 10.250 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.152 -16.972 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.747 -14.807 11.913 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.437 -13.603 11.867 1.00 0.00 H new ATOM 0 HG23 THR A 928 3.507 -14.791 13.190 1.00 0.00 H new ATOM 153 N GLU A 929 0.151 -13.649 10.482 1.00 0.00 N ATOM 154 CA GLU A 929 -0.409 -13.013 9.336 1.00 0.00 C ATOM 155 C GLU A 929 -0.178 -11.521 9.482 1.00 0.00 C ATOM 156 O GLU A 929 -0.397 -10.953 10.550 1.00 0.00 O ATOM 157 CB GLU A 929 -1.897 -13.341 9.152 1.00 0.00 C ATOM 158 CG GLU A 929 -2.812 -12.807 10.211 1.00 0.00 C ATOM 159 CD GLU A 929 -2.612 -13.470 11.557 1.00 0.00 C ATOM 160 OE1 GLU A 929 -2.695 -14.716 11.640 1.00 0.00 O ATOM 161 OE2 GLU A 929 -2.359 -12.755 12.553 1.00 0.00 O ATOM 0 H GLU A 929 0.031 -13.138 11.357 1.00 0.00 H new ATOM 0 HA GLU A 929 0.080 -13.386 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.220 -12.951 8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -2.010 -14.424 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.652 -11.734 10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -3.846 -12.946 9.894 1.00 0.00 H new ATOM 168 N PHE A 930 0.306 -10.906 8.446 1.00 0.00 N ATOM 169 CA PHE A 930 0.622 -9.505 8.479 1.00 0.00 C ATOM 170 C PHE A 930 -0.053 -8.863 7.284 1.00 0.00 C ATOM 171 O PHE A 930 -0.146 -9.484 6.224 1.00 0.00 O ATOM 172 CB PHE A 930 2.148 -9.335 8.432 1.00 0.00 C ATOM 173 CG PHE A 930 2.642 -7.930 8.626 1.00 0.00 C ATOM 174 CD1 PHE A 930 2.739 -7.387 9.895 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.030 -7.161 7.545 1.00 0.00 C ATOM 176 CE1 PHE A 930 3.209 -6.103 10.080 1.00 0.00 C ATOM 177 CE2 PHE A 930 3.496 -5.875 7.719 1.00 0.00 C ATOM 178 CZ PHE A 930 3.587 -5.344 8.990 1.00 0.00 C ATOM 0 H PHE A 930 0.494 -11.359 7.552 1.00 0.00 H new ATOM 0 HA PHE A 930 0.267 -9.027 9.392 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.592 -9.968 9.200 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.509 -9.700 7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.443 -7.975 10.751 1.00 0.00 H new ATOM 0 HD2 PHE A 930 2.967 -7.574 6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 930 3.281 -5.692 11.076 1.00 0.00 H new ATOM 0 HE2 PHE A 930 3.789 -5.285 6.863 1.00 0.00 H new ATOM 0 HZ PHE A 930 3.953 -4.338 9.132 1.00 0.00 H new ATOM 188 N THR A 931 -0.595 -7.684 7.459 1.00 0.00 N ATOM 189 CA THR A 931 -1.204 -6.978 6.354 1.00 0.00 C ATOM 190 C THR A 931 -0.114 -6.504 5.397 1.00 0.00 C ATOM 191 O THR A 931 0.835 -5.837 5.814 1.00 0.00 O ATOM 192 CB THR A 931 -2.023 -5.766 6.850 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.977 -6.191 7.841 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.767 -5.099 5.701 1.00 0.00 C ATOM 0 H THR A 931 -0.628 -7.192 8.352 1.00 0.00 H new ATOM 0 HA THR A 931 -1.883 -7.659 5.840 1.00 0.00 H new ATOM 0 HB THR A 931 -1.328 -5.047 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.492 -5.417 8.152 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.335 -4.249 6.080 1.00 0.00 H new ATOM 0 HG22 THR A 931 -2.051 -4.754 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.449 -5.816 5.244 1.00 0.00 H new ATOM 202 N ASP A 932 -0.229 -6.831 4.123 1.00 0.00 N ATOM 203 CA ASP A 932 0.782 -6.372 3.195 1.00 0.00 C ATOM 204 C ASP A 932 0.213 -5.114 2.580 1.00 0.00 C ATOM 205 O ASP A 932 -0.986 -4.858 2.721 1.00 0.00 O ATOM 206 CB ASP A 932 1.132 -7.398 2.111 1.00 0.00 C ATOM 207 CG ASP A 932 2.523 -7.171 1.557 1.00 0.00 C ATOM 208 OD1 ASP A 932 2.738 -6.221 0.786 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.442 -7.932 1.936 1.00 0.00 O ATOM 0 H ASP A 932 -0.981 -7.390 3.720 1.00 0.00 H new ATOM 0 HA ASP A 932 1.722 -6.201 3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.065 -8.404 2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.403 -7.337 1.303 1.00 0.00 H new ATOM 214 N GLU A 933 1.018 -4.340 1.908 1.00 0.00 N ATOM 215 CA GLU A 933 0.579 -3.046 1.443 1.00 0.00 C ATOM 216 C GLU A 933 1.479 -2.542 0.327 1.00 0.00 C ATOM 217 O GLU A 933 2.662 -2.889 0.253 1.00 0.00 O ATOM 218 CB GLU A 933 0.575 -2.083 2.625 1.00 0.00 C ATOM 219 CG GLU A 933 1.952 -1.836 3.219 1.00 0.00 C ATOM 220 CD GLU A 933 1.929 -0.909 4.402 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.650 -1.373 5.537 1.00 0.00 O ATOM 222 OE2 GLU A 933 2.214 0.289 4.213 1.00 0.00 O ATOM 0 H GLU A 933 1.980 -4.578 1.668 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.428 -3.121 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 933 0.152 -1.131 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.080 -2.478 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.387 -2.789 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.602 -1.418 2.451 1.00 0.00 H new ATOM 229 N VAL A 934 0.900 -1.778 -0.559 1.00 0.00 N ATOM 230 CA VAL A 934 1.621 -1.147 -1.651 1.00 0.00 C ATOM 231 C VAL A 934 0.965 0.198 -1.887 1.00 0.00 C ATOM 232 O VAL A 934 -0.043 0.500 -1.260 1.00 0.00 O ATOM 233 CB VAL A 934 1.587 -2.040 -2.923 1.00 0.00 C ATOM 234 CG1 VAL A 934 0.176 -2.232 -3.454 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.518 -1.575 -4.042 1.00 0.00 C ATOM 0 H VAL A 934 -0.098 -1.568 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 934 2.674 -1.013 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 934 1.968 -3.004 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 934 0.204 -2.863 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -0.438 -2.709 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 934 -0.251 -1.263 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.433 -2.253 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.240 -0.568 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.547 -1.572 -3.682 1.00 0.00 H new ATOM 245 N TYR A 935 1.509 0.989 -2.762 1.00 0.00 N ATOM 246 CA TYR A 935 0.982 2.286 -3.052 1.00 0.00 C ATOM 247 C TYR A 935 0.966 2.492 -4.535 1.00 0.00 C ATOM 248 O TYR A 935 1.767 1.911 -5.260 1.00 0.00 O ATOM 249 CB TYR A 935 1.788 3.391 -2.402 1.00 0.00 C ATOM 250 CG TYR A 935 1.609 3.509 -0.907 1.00 0.00 C ATOM 251 CD1 TYR A 935 2.384 2.784 -0.012 1.00 0.00 C ATOM 252 CD2 TYR A 935 0.652 4.366 -0.394 1.00 0.00 C ATOM 253 CE1 TYR A 935 2.204 2.919 1.352 1.00 0.00 C ATOM 254 CE2 TYR A 935 0.467 4.506 0.959 1.00 0.00 C ATOM 255 CZ TYR A 935 1.241 3.784 1.828 1.00 0.00 C ATOM 256 OH TYR A 935 1.062 3.942 3.183 1.00 0.00 O ATOM 0 H TYR A 935 2.341 0.748 -3.300 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.028 2.331 -2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.844 3.225 -2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.515 4.340 -2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 935 3.137 2.106 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 935 0.037 4.938 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 935 2.813 2.351 2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 935 -0.286 5.182 1.336 1.00 0.00 H new ATOM 0 HH TYR A 935 0.344 4.589 3.345 1.00 0.00 H new ATOM 266 N GLN A 936 0.041 3.296 -4.966 1.00 0.00 N ATOM 267 CA GLN A 936 -0.101 3.633 -6.353 1.00 0.00 C ATOM 268 C GLN A 936 -0.015 5.141 -6.439 1.00 0.00 C ATOM 269 O GLN A 936 -0.845 5.834 -5.853 1.00 0.00 O ATOM 270 CB GLN A 936 -1.441 3.168 -6.879 1.00 0.00 C ATOM 271 CG GLN A 936 -1.581 3.321 -8.375 1.00 0.00 C ATOM 272 CD GLN A 936 -3.019 3.237 -8.780 1.00 0.00 C ATOM 273 OE1 GLN A 936 -3.551 2.163 -9.044 1.00 0.00 O ATOM 274 NE2 GLN A 936 -3.661 4.376 -8.799 1.00 0.00 N ATOM 0 H GLN A 936 -0.645 3.743 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 936 0.673 3.151 -6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -1.585 2.121 -6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.233 3.733 -6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -1.164 4.278 -8.689 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -1.009 2.543 -8.881 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.171 5.241 -8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -4.651 4.399 -9.042 1.00 0.00 H new ATOM 283 N ASN A 937 0.975 5.627 -7.139 1.00 0.00 N ATOM 284 CA ASN A 937 1.259 7.052 -7.207 1.00 0.00 C ATOM 285 C ASN A 937 0.870 7.620 -8.548 1.00 0.00 C ATOM 286 O ASN A 937 1.102 7.020 -9.601 1.00 0.00 O ATOM 287 CB ASN A 937 2.745 7.347 -7.015 1.00 0.00 C ATOM 288 CG ASN A 937 3.308 6.860 -5.710 1.00 0.00 C ATOM 289 OD1 ASN A 937 3.369 7.582 -4.712 1.00 0.00 O ATOM 290 ND2 ASN A 937 3.733 5.629 -5.723 1.00 0.00 N ATOM 0 H ASN A 937 1.616 5.050 -7.684 1.00 0.00 H new ATOM 0 HA ASN A 937 0.678 7.510 -6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 937 3.303 6.889 -7.832 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.902 8.423 -7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 937 4.139 5.221 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 937 3.660 5.073 -6.575 1.00 0.00 H new ATOM 297 N GLU A 938 0.335 8.806 -8.494 1.00 0.00 N ATOM 298 CA GLU A 938 -0.017 9.567 -9.675 1.00 0.00 C ATOM 299 C GLU A 938 0.430 10.987 -9.434 1.00 0.00 C ATOM 300 O GLU A 938 0.614 11.396 -8.277 1.00 0.00 O ATOM 301 CB GLU A 938 -1.518 9.536 -9.963 1.00 0.00 C ATOM 302 CG GLU A 938 -2.062 8.146 -10.252 1.00 0.00 C ATOM 303 CD GLU A 938 -3.549 8.148 -10.492 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.276 8.779 -9.710 1.00 0.00 O ATOM 305 OE2 GLU A 938 -4.018 7.522 -11.469 1.00 0.00 O ATOM 0 H GLU A 938 0.125 9.285 -7.618 1.00 0.00 H new ATOM 0 HA GLU A 938 0.472 9.129 -10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.051 9.953 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -1.728 10.182 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -1.556 7.736 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -1.833 7.488 -9.414 1.00 0.00 H new ATOM 312 N SER A 939 0.627 11.728 -10.491 1.00 0.00 N ATOM 313 CA SER A 939 1.086 13.074 -10.381 1.00 0.00 C ATOM 314 C SER A 939 0.452 13.926 -11.457 1.00 0.00 C ATOM 315 O SER A 939 0.245 13.478 -12.578 1.00 0.00 O ATOM 316 CB SER A 939 2.620 13.108 -10.457 1.00 0.00 C ATOM 317 OG SER A 939 3.157 14.418 -10.323 1.00 0.00 O ATOM 0 H SER A 939 0.472 11.411 -11.448 1.00 0.00 H new ATOM 0 HA SER A 939 0.790 13.486 -9.416 1.00 0.00 H new ATOM 0 HB2 SER A 939 3.031 12.472 -9.673 1.00 0.00 H new ATOM 0 HB3 SER A 939 2.940 12.687 -11.410 1.00 0.00 H new ATOM 0 HG SER A 939 2.797 14.838 -9.514 1.00 0.00 H new ATOM 323 N ARG A 940 0.124 15.136 -11.067 1.00 0.00 N ATOM 324 CA ARG A 940 -0.449 16.135 -11.923 1.00 0.00 C ATOM 325 C ARG A 940 0.218 17.433 -11.560 1.00 0.00 C ATOM 326 O ARG A 940 0.821 17.541 -10.490 1.00 0.00 O ATOM 327 CB ARG A 940 -1.962 16.309 -11.725 1.00 0.00 C ATOM 328 CG ARG A 940 -2.379 16.710 -10.316 1.00 0.00 C ATOM 329 CD ARG A 940 -3.768 17.328 -10.289 1.00 0.00 C ATOM 330 NE ARG A 940 -4.127 17.776 -8.943 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.367 18.100 -8.543 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.349 18.215 -9.415 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.625 18.341 -7.272 1.00 0.00 N ATOM 0 H ARG A 940 0.256 15.458 -10.108 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.296 15.835 -12.960 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.321 17.064 -12.424 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.458 15.374 -11.983 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.359 15.833 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.658 17.421 -9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -3.806 18.172 -10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.499 16.599 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.377 17.848 -8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -6.171 18.057 -10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -7.286 18.462 -9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -4.878 18.282 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.571 18.586 -6.981 1.00 0.00 H new ATOM 347 N TYR A 941 0.168 18.380 -12.453 1.00 0.00 N ATOM 348 CA TYR A 941 0.599 19.724 -12.135 1.00 0.00 C ATOM 349 C TYR A 941 -0.469 20.289 -11.213 1.00 0.00 C ATOM 350 O TYR A 941 -1.571 19.725 -11.176 1.00 0.00 O ATOM 351 CB TYR A 941 0.642 20.571 -13.399 1.00 0.00 C ATOM 352 CG TYR A 941 1.091 19.789 -14.612 1.00 0.00 C ATOM 353 CD1 TYR A 941 2.429 19.468 -14.816 1.00 0.00 C ATOM 354 CD2 TYR A 941 0.161 19.343 -15.540 1.00 0.00 C ATOM 355 CE1 TYR A 941 2.821 18.726 -15.912 1.00 0.00 C ATOM 356 CE2 TYR A 941 0.546 18.606 -16.637 1.00 0.00 C ATOM 357 CZ TYR A 941 1.875 18.298 -16.819 1.00 0.00 C ATOM 358 OH TYR A 941 2.256 17.557 -17.917 1.00 0.00 O ATOM 0 H TYR A 941 -0.166 18.253 -13.408 1.00 0.00 H new ATOM 0 HA TYR A 941 1.591 19.725 -11.683 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.348 20.987 -13.586 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.317 21.413 -13.244 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.171 19.804 -14.107 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -0.884 19.578 -15.399 1.00 0.00 H new ATOM 0 HE1 TYR A 941 3.863 18.482 -16.058 1.00 0.00 H new ATOM 0 HE2 TYR A 941 -0.191 18.271 -17.352 1.00 0.00 H new ATOM 0 HH TYR A 941 1.466 17.337 -18.453 1.00 0.00 H new ATOM 368 N PRO A 942 -0.196 21.356 -10.450 1.00 0.00 N ATOM 369 CA PRO A 942 -1.227 21.985 -9.622 1.00 0.00 C ATOM 370 C PRO A 942 -2.365 22.529 -10.483 1.00 0.00 C ATOM 371 O PRO A 942 -2.338 23.682 -10.912 1.00 0.00 O ATOM 372 CB PRO A 942 -0.488 23.128 -8.931 1.00 0.00 C ATOM 373 CG PRO A 942 0.954 22.759 -9.006 1.00 0.00 C ATOM 374 CD PRO A 942 1.115 22.013 -10.296 1.00 0.00 C ATOM 0 HA PRO A 942 -1.685 21.286 -8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -0.678 24.079 -9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -0.813 23.240 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 942 1.587 23.646 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 942 1.245 22.140 -8.157 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.333 22.683 -11.128 1.00 0.00 H new ATOM 0 HD3 PRO A 942 1.929 21.289 -10.247 1.00 0.00 H new ATOM 382 N GLY A 943 -3.332 21.681 -10.796 1.00 0.00 N ATOM 383 CA GLY A 943 -4.367 22.050 -11.717 1.00 0.00 C ATOM 384 C GLY A 943 -4.063 21.383 -13.044 1.00 0.00 C ATOM 385 O GLY A 943 -3.659 22.047 -14.002 1.00 0.00 O ATOM 0 H GLY A 943 -3.412 20.736 -10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -5.341 21.734 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -4.407 23.133 -11.834 1.00 0.00 H new ATOM 389 N GLY A 944 -4.209 20.061 -13.093 1.00 0.00 N ATOM 390 CA GLY A 944 -3.845 19.331 -14.283 1.00 0.00 C ATOM 391 C GLY A 944 -4.423 17.925 -14.337 1.00 0.00 C ATOM 392 O GLY A 944 -5.535 17.670 -13.878 1.00 0.00 O ATOM 0 H GLY A 944 -4.572 19.489 -12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.183 19.887 -15.158 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.758 19.270 -14.344 1.00 0.00 H new ATOM 396 N ASP A 945 -3.605 17.011 -14.822 1.00 0.00 N ATOM 397 CA ASP A 945 -4.032 15.630 -15.074 1.00 0.00 C ATOM 398 C ASP A 945 -3.095 14.627 -14.417 1.00 0.00 C ATOM 399 O ASP A 945 -1.888 14.678 -14.659 1.00 0.00 O ATOM 400 CB ASP A 945 -4.098 15.381 -16.583 1.00 0.00 C ATOM 401 CG ASP A 945 -4.661 14.022 -16.934 1.00 0.00 C ATOM 402 OD1 ASP A 945 -5.900 13.843 -16.840 1.00 0.00 O ATOM 403 OD2 ASP A 945 -3.895 13.120 -17.322 1.00 0.00 O ATOM 0 H ASP A 945 -2.629 17.194 -15.055 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.021 15.493 -14.636 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -4.712 16.153 -17.046 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -3.097 15.474 -17.005 1.00 0.00 H new ATOM 408 N TRP A 946 -3.631 13.757 -13.545 1.00 0.00 N ATOM 409 CA TRP A 946 -2.838 12.730 -12.913 1.00 0.00 C ATOM 410 C TRP A 946 -2.465 11.690 -13.956 1.00 0.00 C ATOM 411 O TRP A 946 -3.306 11.237 -14.747 1.00 0.00 O ATOM 412 CB TRP A 946 -3.588 12.018 -11.781 1.00 0.00 C ATOM 413 CG TRP A 946 -4.158 12.862 -10.696 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.453 13.231 -10.549 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.460 13.382 -9.567 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.598 13.954 -9.398 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.393 14.069 -8.780 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.136 13.341 -9.150 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -4.047 14.708 -7.593 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.791 13.972 -7.978 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.740 14.648 -7.211 1.00 0.00 C ATOM 0 H TRP A 946 -4.614 13.758 -13.272 1.00 0.00 H new ATOM 0 HA TRP A 946 -1.960 13.214 -12.486 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -4.403 11.446 -12.225 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -2.906 11.300 -11.325 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -6.250 12.990 -11.237 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.475 14.347 -9.056 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.391 12.823 -9.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.783 15.230 -6.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.764 13.944 -7.644 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.433 15.133 -6.296 1.00 0.00 H new ATOM 432 N LYS A 947 -1.222 11.305 -13.915 1.00 0.00 N ATOM 433 CA LYS A 947 -0.609 10.343 -14.806 1.00 0.00 C ATOM 434 C LYS A 947 0.342 9.586 -13.893 1.00 0.00 C ATOM 435 O LYS A 947 0.368 9.926 -12.718 1.00 0.00 O ATOM 436 CB LYS A 947 0.159 11.079 -15.915 1.00 0.00 C ATOM 437 CG LYS A 947 -0.710 11.997 -16.752 1.00 0.00 C ATOM 438 CD LYS A 947 0.093 12.719 -17.812 1.00 0.00 C ATOM 439 CE LYS A 947 -0.766 13.707 -18.581 1.00 0.00 C ATOM 440 NZ LYS A 947 -1.956 13.057 -19.185 1.00 0.00 N ATOM 0 H LYS A 947 -0.567 11.670 -13.223 1.00 0.00 H new ATOM 0 HA LYS A 947 -1.321 9.688 -15.308 1.00 0.00 H new ATOM 0 HB2 LYS A 947 0.960 11.664 -15.463 1.00 0.00 H new ATOM 0 HB3 LYS A 947 0.630 10.344 -16.568 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -1.500 11.416 -17.228 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -1.197 12.727 -16.105 1.00 0.00 H new ATOM 0 HD2 LYS A 947 0.925 13.245 -17.345 1.00 0.00 H new ATOM 0 HD3 LYS A 947 0.522 11.993 -18.503 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -1.089 14.504 -17.912 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -0.169 14.172 -19.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -2.139 13.469 -20.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 -1.781 12.037 -19.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -2.783 13.209 -18.573 1.00 0.00 H new ATOM 454 N PRO A 948 1.104 8.571 -14.322 1.00 0.00 N ATOM 455 CA PRO A 948 2.057 7.918 -13.416 1.00 0.00 C ATOM 456 C PRO A 948 3.038 8.929 -12.812 1.00 0.00 C ATOM 457 O PRO A 948 3.689 9.686 -13.544 1.00 0.00 O ATOM 458 CB PRO A 948 2.786 6.927 -14.326 1.00 0.00 C ATOM 459 CG PRO A 948 1.818 6.656 -15.425 1.00 0.00 C ATOM 460 CD PRO A 948 1.095 7.948 -15.655 1.00 0.00 C ATOM 0 HA PRO A 948 1.570 7.442 -12.564 1.00 0.00 H new ATOM 0 HB2 PRO A 948 3.715 7.348 -14.709 1.00 0.00 H new ATOM 0 HB3 PRO A 948 3.047 6.014 -13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 948 2.333 6.329 -16.328 1.00 0.00 H new ATOM 0 HG3 PRO A 948 1.124 5.862 -15.149 1.00 0.00 H new ATOM 0 HD2 PRO A 948 1.601 8.568 -16.394 1.00 0.00 H new ATOM 0 HD3 PRO A 948 0.080 7.784 -16.018 1.00 0.00 H new ATOM 468 N ALA A 949 3.092 8.963 -11.472 1.00 0.00 N ATOM 469 CA ALA A 949 3.993 9.867 -10.741 1.00 0.00 C ATOM 470 C ALA A 949 5.409 9.794 -11.273 1.00 0.00 C ATOM 471 O ALA A 949 6.011 10.826 -11.573 1.00 0.00 O ATOM 472 CB ALA A 949 3.975 9.576 -9.256 1.00 0.00 C ATOM 0 H ALA A 949 2.519 8.372 -10.870 1.00 0.00 H new ATOM 0 HA ALA A 949 3.625 10.881 -10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.651 10.260 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.964 9.708 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 949 4.298 8.549 -9.082 1.00 0.00 H new ATOM 478 N GLU A 950 5.899 8.574 -11.392 1.00 0.00 N ATOM 479 CA GLU A 950 7.205 8.257 -11.958 1.00 0.00 C ATOM 480 C GLU A 950 7.429 6.772 -11.764 1.00 0.00 C ATOM 481 O GLU A 950 7.945 6.072 -12.634 1.00 0.00 O ATOM 482 CB GLU A 950 8.340 9.081 -11.324 1.00 0.00 C ATOM 483 CG GLU A 950 8.499 8.917 -9.825 1.00 0.00 C ATOM 484 CD GLU A 950 9.592 9.790 -9.279 1.00 0.00 C ATOM 485 OE1 GLU A 950 10.772 9.568 -9.624 1.00 0.00 O ATOM 486 OE2 GLU A 950 9.280 10.731 -8.520 1.00 0.00 O ATOM 0 H GLU A 950 5.385 7.747 -11.089 1.00 0.00 H new ATOM 0 HA GLU A 950 7.217 8.517 -13.016 1.00 0.00 H new ATOM 0 HB2 GLU A 950 9.279 8.806 -11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 950 8.167 10.135 -11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 950 7.558 9.161 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.718 7.874 -9.595 1.00 0.00 H new ATOM 493 N ASP A 951 6.991 6.313 -10.608 1.00 0.00 N ATOM 494 CA ASP A 951 6.982 4.913 -10.252 1.00 0.00 C ATOM 495 C ASP A 951 5.536 4.605 -9.932 1.00 0.00 C ATOM 496 O ASP A 951 4.965 5.225 -9.028 1.00 0.00 O ATOM 497 CB ASP A 951 7.861 4.640 -9.021 1.00 0.00 C ATOM 498 CG ASP A 951 9.313 5.056 -9.187 1.00 0.00 C ATOM 499 OD1 ASP A 951 10.032 4.498 -10.042 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.785 5.934 -8.428 1.00 0.00 O ATOM 0 H ASP A 951 6.624 6.920 -9.875 1.00 0.00 H new ATOM 0 HA ASP A 951 7.379 4.295 -11.057 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.440 5.166 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.824 3.575 -8.791 1.00 0.00 H new ATOM 505 N THR A 952 4.920 3.738 -10.711 1.00 0.00 N ATOM 506 CA THR A 952 3.503 3.465 -10.569 1.00 0.00 C ATOM 507 C THR A 952 3.177 2.839 -9.205 1.00 0.00 C ATOM 508 O THR A 952 2.390 3.400 -8.438 1.00 0.00 O ATOM 509 CB THR A 952 3.030 2.569 -11.729 1.00 0.00 C ATOM 510 OG1 THR A 952 3.588 3.074 -12.958 1.00 0.00 O ATOM 511 CG2 THR A 952 1.509 2.581 -11.829 1.00 0.00 C ATOM 0 H THR A 952 5.380 3.209 -11.451 1.00 0.00 H new ATOM 0 HA THR A 952 2.963 4.411 -10.613 1.00 0.00 H new ATOM 0 HB THR A 952 3.360 1.546 -11.549 1.00 0.00 H new ATOM 0 HG1 THR A 952 3.296 2.511 -13.705 1.00 0.00 H new ATOM 0 HG21 THR A 952 1.194 1.942 -12.654 1.00 0.00 H new ATOM 0 HG22 THR A 952 1.080 2.210 -10.898 1.00 0.00 H new ATOM 0 HG23 THR A 952 1.164 3.600 -12.006 1.00 0.00 H new ATOM 519 N TYR A 953 3.761 1.691 -8.902 1.00 0.00 N ATOM 520 CA TYR A 953 3.560 1.068 -7.609 1.00 0.00 C ATOM 521 C TYR A 953 4.836 1.137 -6.782 1.00 0.00 C ATOM 522 O TYR A 953 5.926 0.840 -7.277 1.00 0.00 O ATOM 523 CB TYR A 953 3.038 -0.359 -7.764 1.00 0.00 C ATOM 524 CG TYR A 953 1.623 -0.369 -8.303 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.527 -0.283 -7.451 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.382 -0.434 -9.664 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.766 -0.268 -7.946 1.00 0.00 C ATOM 528 CE2 TYR A 953 0.098 -0.422 -10.164 1.00 0.00 C ATOM 529 CZ TYR A 953 -0.974 -0.338 -9.307 1.00 0.00 C ATOM 530 OH TYR A 953 -2.256 -0.334 -9.820 1.00 0.00 O ATOM 0 H TYR A 953 4.375 1.175 -9.532 1.00 0.00 H new ATOM 0 HA TYR A 953 2.794 1.622 -7.066 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.690 -0.916 -8.436 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.066 -0.866 -6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 953 0.687 -0.227 -6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 953 2.216 -0.495 -10.347 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.606 -0.202 -7.270 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -0.066 -0.479 -11.230 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.707 0.499 -9.568 1.00 0.00 H new ATOM 540 N THR A 954 4.691 1.495 -5.520 1.00 0.00 N ATOM 541 CA THR A 954 5.823 1.774 -4.648 1.00 0.00 C ATOM 542 C THR A 954 5.541 1.275 -3.254 1.00 0.00 C ATOM 543 O THR A 954 4.467 0.751 -2.963 1.00 0.00 O ATOM 544 CB THR A 954 6.118 3.289 -4.541 1.00 0.00 C ATOM 545 OG1 THR A 954 5.003 3.990 -3.956 1.00 0.00 O ATOM 546 CG2 THR A 954 6.456 3.902 -5.893 1.00 0.00 C ATOM 0 H THR A 954 3.783 1.602 -5.067 1.00 0.00 H new ATOM 0 HA THR A 954 6.682 1.267 -5.087 1.00 0.00 H new ATOM 0 HB THR A 954 6.989 3.395 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 954 5.103 4.008 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.656 4.966 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.339 3.412 -6.304 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.616 3.767 -6.574 1.00 0.00 H new ATOM 554 N ASP A 955 6.511 1.485 -2.406 1.00 0.00 N ATOM 555 CA ASP A 955 6.409 1.231 -0.995 1.00 0.00 C ATOM 556 C ASP A 955 6.101 2.587 -0.374 1.00 0.00 C ATOM 557 O ASP A 955 6.074 3.588 -1.111 1.00 0.00 O ATOM 558 CB ASP A 955 7.758 0.676 -0.511 1.00 0.00 C ATOM 559 CG ASP A 955 7.854 0.465 0.982 1.00 0.00 C ATOM 560 OD1 ASP A 955 7.383 -0.581 1.480 1.00 0.00 O ATOM 561 OD2 ASP A 955 8.447 1.333 1.670 1.00 0.00 O ATOM 0 H ASP A 955 7.422 1.849 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 955 5.641 0.505 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 955 7.945 -0.274 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.549 1.360 -0.819 1.00 0.00 H new ATOM 566 N ALA A 956 5.839 2.645 0.919 1.00 0.00 N ATOM 567 CA ALA A 956 5.650 3.915 1.615 1.00 0.00 C ATOM 568 C ALA A 956 6.820 4.859 1.355 1.00 0.00 C ATOM 569 O ALA A 956 6.651 6.075 1.238 1.00 0.00 O ATOM 570 CB ALA A 956 5.516 3.681 3.107 1.00 0.00 C ATOM 0 H ALA A 956 5.751 1.823 1.517 1.00 0.00 H new ATOM 0 HA ALA A 956 4.737 4.373 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 956 5.376 4.636 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 956 4.657 3.039 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 956 6.419 3.200 3.482 1.00 0.00 H new ATOM 576 N ASN A 957 8.007 4.296 1.240 1.00 0.00 N ATOM 577 CA ASN A 957 9.207 5.088 1.014 1.00 0.00 C ATOM 578 C ASN A 957 9.453 5.370 -0.471 1.00 0.00 C ATOM 579 O ASN A 957 10.406 6.056 -0.827 1.00 0.00 O ATOM 580 CB ASN A 957 10.412 4.392 1.644 1.00 0.00 C ATOM 581 CG ASN A 957 10.224 4.163 3.135 1.00 0.00 C ATOM 582 OD1 ASN A 957 10.569 5.010 3.963 1.00 0.00 O ATOM 583 ND2 ASN A 957 9.649 3.027 3.495 1.00 0.00 N ATOM 0 H ASN A 957 8.170 3.291 1.299 1.00 0.00 H new ATOM 0 HA ASN A 957 9.059 6.057 1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 957 10.578 3.435 1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 957 11.305 4.995 1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 957 9.479 2.831 4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 957 9.375 2.347 2.786 1.00 0.00 H new ATOM 590 N GLY A 958 8.583 4.869 -1.346 1.00 0.00 N ATOM 591 CA GLY A 958 8.739 5.153 -2.756 1.00 0.00 C ATOM 592 C GLY A 958 9.456 4.067 -3.505 1.00 0.00 C ATOM 593 O GLY A 958 9.555 4.144 -4.721 1.00 0.00 O ATOM 0 H GLY A 958 7.785 4.280 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.755 5.303 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 958 9.287 6.088 -2.873 1.00 0.00 H new ATOM 597 N ASP A 959 10.024 3.119 -2.774 1.00 0.00 N ATOM 598 CA ASP A 959 10.664 1.947 -3.374 1.00 0.00 C ATOM 599 C ASP A 959 9.709 1.289 -4.350 1.00 0.00 C ATOM 600 O ASP A 959 8.772 0.606 -3.935 1.00 0.00 O ATOM 601 CB ASP A 959 11.089 0.921 -2.314 1.00 0.00 C ATOM 602 CG ASP A 959 12.202 1.407 -1.418 1.00 0.00 C ATOM 603 OD1 ASP A 959 11.915 2.080 -0.405 1.00 0.00 O ATOM 604 OD2 ASP A 959 13.387 1.118 -1.711 1.00 0.00 O ATOM 0 H ASP A 959 10.057 3.135 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 959 11.560 2.289 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 959 10.225 0.665 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 959 11.408 0.006 -2.813 1.00 0.00 H new ATOM 609 N LYS A 960 9.892 1.576 -5.635 1.00 0.00 N ATOM 610 CA LYS A 960 9.014 1.044 -6.664 1.00 0.00 C ATOM 611 C LYS A 960 9.082 -0.471 -6.631 1.00 0.00 C ATOM 612 O LYS A 960 10.160 -1.056 -6.481 1.00 0.00 O ATOM 613 CB LYS A 960 9.341 1.643 -8.064 1.00 0.00 C ATOM 614 CG LYS A 960 10.309 0.877 -8.974 1.00 0.00 C ATOM 615 CD LYS A 960 9.596 -0.239 -9.743 1.00 0.00 C ATOM 616 CE LYS A 960 10.538 -1.059 -10.614 1.00 0.00 C ATOM 617 NZ LYS A 960 11.546 -1.797 -9.817 1.00 0.00 N ATOM 0 H LYS A 960 10.641 2.174 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 960 7.985 1.341 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 960 8.401 1.761 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 960 9.749 2.642 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 960 10.770 1.568 -9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 960 11.113 0.450 -8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 960 9.098 -0.900 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 960 8.819 0.199 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 960 9.958 -1.767 -11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 960 11.047 -0.398 -11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 12.063 -2.455 -10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 12.214 -1.123 -9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 11.069 -2.332 -9.064 1.00 0.00 H new ATOM 631 N ALA A 961 7.939 -1.084 -6.762 1.00 0.00 N ATOM 632 CA ALA A 961 7.828 -2.517 -6.658 1.00 0.00 C ATOM 633 C ALA A 961 6.972 -3.037 -7.788 1.00 0.00 C ATOM 634 O ALA A 961 6.552 -2.268 -8.669 1.00 0.00 O ATOM 635 CB ALA A 961 7.224 -2.900 -5.313 1.00 0.00 C ATOM 0 H ALA A 961 7.056 -0.607 -6.944 1.00 0.00 H new ATOM 0 HA ALA A 961 8.820 -2.963 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.145 -3.985 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 961 7.862 -2.532 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.232 -2.457 -5.220 1.00 0.00 H new ATOM 641 N ALA A 962 6.772 -4.336 -7.799 1.00 0.00 N ATOM 642 CA ALA A 962 5.858 -4.959 -8.722 1.00 0.00 C ATOM 643 C ALA A 962 4.440 -4.587 -8.307 1.00 0.00 C ATOM 644 O ALA A 962 4.190 -4.298 -7.134 1.00 0.00 O ATOM 645 CB ALA A 962 6.056 -6.466 -8.710 1.00 0.00 C ATOM 0 H ALA A 962 7.239 -4.987 -7.168 1.00 0.00 H new ATOM 0 HA ALA A 962 6.041 -4.611 -9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 962 5.361 -6.930 -9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.079 -6.701 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 962 5.870 -6.849 -7.707 1.00 0.00 H new ATOM 651 N SER A 963 3.522 -4.568 -9.245 1.00 0.00 N ATOM 652 CA SER A 963 2.165 -4.190 -8.943 1.00 0.00 C ATOM 653 C SER A 963 1.452 -5.353 -8.227 1.00 0.00 C ATOM 654 O SER A 963 1.907 -6.481 -8.332 1.00 0.00 O ATOM 655 CB SER A 963 1.480 -3.826 -10.247 1.00 0.00 C ATOM 656 OG SER A 963 2.333 -3.031 -11.061 1.00 0.00 O ATOM 0 H SER A 963 3.691 -4.810 -10.221 1.00 0.00 H new ATOM 0 HA SER A 963 2.134 -3.330 -8.274 1.00 0.00 H new ATOM 0 HB2 SER A 963 1.201 -4.734 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 963 0.558 -3.283 -10.039 1.00 0.00 H new ATOM 0 HG SER A 963 2.230 -2.087 -10.819 1.00 0.00 H new ATOM 662 N PRO A 964 0.357 -5.093 -7.475 1.00 0.00 N ATOM 663 CA PRO A 964 -0.396 -6.120 -6.712 1.00 0.00 C ATOM 664 C PRO A 964 -0.693 -7.436 -7.450 1.00 0.00 C ATOM 665 O PRO A 964 -0.761 -8.491 -6.826 1.00 0.00 O ATOM 666 CB PRO A 964 -1.706 -5.434 -6.390 1.00 0.00 C ATOM 667 CG PRO A 964 -1.419 -3.972 -6.397 1.00 0.00 C ATOM 668 CD PRO A 964 -0.202 -3.750 -7.259 1.00 0.00 C ATOM 0 HA PRO A 964 0.206 -6.436 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -2.469 -5.685 -7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -2.084 -5.752 -5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -2.271 -3.416 -6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -1.241 -3.612 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 964 -0.468 -3.276 -8.204 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.518 -3.097 -6.766 1.00 0.00 H new ATOM 676 N SER A 965 -0.874 -7.383 -8.758 1.00 0.00 N ATOM 677 CA SER A 965 -1.132 -8.591 -9.527 1.00 0.00 C ATOM 678 C SER A 965 0.166 -9.405 -9.590 1.00 0.00 C ATOM 679 O SER A 965 0.183 -10.620 -9.386 1.00 0.00 O ATOM 680 CB SER A 965 -1.644 -8.238 -10.932 1.00 0.00 C ATOM 681 OG SER A 965 -2.050 -9.393 -11.653 1.00 0.00 O ATOM 0 H SER A 965 -0.848 -6.524 -9.308 1.00 0.00 H new ATOM 0 HA SER A 965 -1.909 -9.186 -9.047 1.00 0.00 H new ATOM 0 HB2 SER A 965 -2.483 -7.548 -10.850 1.00 0.00 H new ATOM 0 HB3 SER A 965 -0.860 -7.722 -11.485 1.00 0.00 H new ATOM 0 HG SER A 965 -2.371 -9.129 -12.540 1.00 0.00 H new ATOM 687 N GLU A 966 1.246 -8.700 -9.875 1.00 0.00 N ATOM 688 CA GLU A 966 2.594 -9.259 -9.881 1.00 0.00 C ATOM 689 C GLU A 966 3.022 -9.705 -8.473 1.00 0.00 C ATOM 690 O GLU A 966 3.853 -10.604 -8.328 1.00 0.00 O ATOM 691 CB GLU A 966 3.581 -8.220 -10.413 1.00 0.00 C ATOM 692 CG GLU A 966 3.208 -7.636 -11.763 1.00 0.00 C ATOM 693 CD GLU A 966 4.188 -6.580 -12.220 1.00 0.00 C ATOM 694 OE1 GLU A 966 4.062 -5.409 -11.808 1.00 0.00 O ATOM 695 OE2 GLU A 966 5.113 -6.902 -12.987 1.00 0.00 O ATOM 0 H GLU A 966 1.215 -7.709 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 966 2.594 -10.135 -10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 966 3.661 -7.409 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 966 4.567 -8.678 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 966 3.166 -8.435 -12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 966 2.210 -7.202 -11.706 1.00 0.00 H new ATOM 702 N LEU A 967 2.440 -9.088 -7.452 1.00 0.00 N ATOM 703 CA LEU A 967 2.720 -9.403 -6.067 1.00 0.00 C ATOM 704 C LEU A 967 2.124 -10.762 -5.704 1.00 0.00 C ATOM 705 O LEU A 967 0.904 -10.946 -5.666 1.00 0.00 O ATOM 706 CB LEU A 967 2.196 -8.254 -5.197 1.00 0.00 C ATOM 707 CG LEU A 967 3.066 -6.985 -5.247 1.00 0.00 C ATOM 708 CD1 LEU A 967 2.439 -5.842 -4.470 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.457 -7.274 -4.707 1.00 0.00 C ATOM 0 H LEU A 967 1.751 -8.345 -7.570 1.00 0.00 H new ATOM 0 HA LEU A 967 3.792 -9.493 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.185 -8.002 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.128 -8.595 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 967 3.139 -6.682 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.083 -4.965 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 967 1.464 -5.605 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.319 -6.134 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.059 -6.367 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.383 -7.613 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 967 4.927 -8.050 -5.310 1.00 0.00 H new ATOM 721 N THR A 968 3.004 -11.712 -5.456 1.00 0.00 N ATOM 722 CA THR A 968 2.617 -13.090 -5.244 1.00 0.00 C ATOM 723 C THR A 968 3.010 -13.583 -3.858 1.00 0.00 C ATOM 724 O THR A 968 3.719 -12.898 -3.105 1.00 0.00 O ATOM 725 CB THR A 968 3.242 -14.001 -6.319 1.00 0.00 C ATOM 726 OG1 THR A 968 4.644 -13.718 -6.449 1.00 0.00 O ATOM 727 CG2 THR A 968 2.553 -13.816 -7.661 1.00 0.00 C ATOM 0 H THR A 968 4.009 -11.548 -5.396 1.00 0.00 H new ATOM 0 HA THR A 968 1.531 -13.134 -5.321 1.00 0.00 H new ATOM 0 HB THR A 968 3.108 -15.036 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 968 5.034 -14.302 -7.133 1.00 0.00 H new ATOM 0 HG21 THR A 968 3.014 -14.471 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 968 1.496 -14.065 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.654 -12.779 -7.982 1.00 0.00 H new ATOM 735 N CYS A 969 2.515 -14.754 -3.510 1.00 0.00 N ATOM 736 CA CYS A 969 2.820 -15.360 -2.236 1.00 0.00 C ATOM 737 C CYS A 969 4.140 -16.111 -2.302 1.00 0.00 C ATOM 738 O CYS A 969 4.376 -16.901 -3.222 1.00 0.00 O ATOM 739 CB CYS A 969 1.696 -16.292 -1.787 1.00 0.00 C ATOM 740 SG CYS A 969 1.254 -17.582 -2.984 1.00 0.00 S ATOM 0 H CYS A 969 1.894 -15.307 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 969 2.912 -14.562 -1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 969 1.990 -16.769 -0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 969 0.810 -15.694 -1.575 1.00 0.00 H new ATOM 0 HG CYS A 969 2.305 -17.911 -3.675 1.00 0.00 H new ATOM 746 N PRO A 970 5.028 -15.837 -1.348 1.00 0.00 N ATOM 747 CA PRO A 970 6.317 -16.515 -1.245 1.00 0.00 C ATOM 748 C PRO A 970 6.165 -17.855 -0.526 1.00 0.00 C ATOM 749 O PRO A 970 5.132 -18.092 0.112 1.00 0.00 O ATOM 750 CB PRO A 970 7.114 -15.536 -0.386 1.00 0.00 C ATOM 751 CG PRO A 970 6.101 -14.984 0.543 1.00 0.00 C ATOM 752 CD PRO A 970 4.846 -14.843 -0.274 1.00 0.00 C ATOM 0 HA PRO A 970 6.777 -16.743 -2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 970 7.919 -16.037 0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 970 7.572 -14.753 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 970 5.944 -15.648 1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 970 6.419 -14.022 0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 970 3.955 -15.049 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 970 4.737 -13.835 -0.673 1.00 0.00 H new ATOM 760 N PRO A 971 7.153 -18.760 -0.636 1.00 0.00 N ATOM 761 CA PRO A 971 7.138 -20.018 0.108 1.00 0.00 C ATOM 762 C PRO A 971 7.102 -19.755 1.607 1.00 0.00 C ATOM 763 O PRO A 971 8.093 -19.317 2.204 1.00 0.00 O ATOM 764 CB PRO A 971 8.451 -20.696 -0.290 1.00 0.00 C ATOM 765 CG PRO A 971 8.809 -20.079 -1.594 1.00 0.00 C ATOM 766 CD PRO A 971 8.327 -18.658 -1.515 1.00 0.00 C ATOM 0 HA PRO A 971 6.264 -20.629 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 971 9.227 -20.526 0.456 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.328 -21.775 -0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 971 9.885 -20.119 -1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 971 8.336 -20.608 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 971 9.087 -17.996 -1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.064 -18.265 -2.497 1.00 0.00 H new ATOM 774 N GLY A 972 5.946 -19.957 2.191 1.00 0.00 N ATOM 775 CA GLY A 972 5.770 -19.701 3.596 1.00 0.00 C ATOM 776 C GLY A 972 4.685 -18.679 3.856 1.00 0.00 C ATOM 777 O GLY A 972 4.389 -18.371 4.999 1.00 0.00 O ATOM 0 H GLY A 972 5.113 -20.299 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 972 5.520 -20.632 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 972 6.710 -19.348 4.020 1.00 0.00 H new ATOM 781 N TRP A 973 4.088 -18.149 2.803 1.00 0.00 N ATOM 782 CA TRP A 973 3.017 -17.174 2.945 1.00 0.00 C ATOM 783 C TRP A 973 1.884 -17.462 1.982 1.00 0.00 C ATOM 784 O TRP A 973 2.109 -17.881 0.850 1.00 0.00 O ATOM 785 CB TRP A 973 3.521 -15.737 2.801 1.00 0.00 C ATOM 786 CG TRP A 973 4.336 -15.284 3.962 1.00 0.00 C ATOM 787 CD1 TRP A 973 5.690 -15.304 4.044 1.00 0.00 C ATOM 788 CD2 TRP A 973 3.859 -14.786 5.218 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.095 -14.817 5.261 1.00 0.00 N ATOM 790 CE2 TRP A 973 4.988 -14.496 6.000 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.589 -14.549 5.756 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.886 -13.982 7.288 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.490 -14.049 7.044 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.634 -13.770 7.796 1.00 0.00 C ATOM 0 H TRP A 973 4.326 -18.377 1.838 1.00 0.00 H new ATOM 0 HA TRP A 973 2.628 -17.271 3.959 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.118 -15.657 1.893 1.00 0.00 H new ATOM 0 HB3 TRP A 973 2.668 -15.069 2.681 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.352 -15.652 3.265 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.063 -14.711 5.566 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.701 -14.753 5.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.768 -13.757 7.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.515 -13.872 7.473 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.528 -13.380 8.797 1.00 0.00 H new ATOM 805 N GLU A 974 0.680 -17.257 2.468 1.00 0.00 N ATOM 806 CA GLU A 974 -0.542 -17.514 1.743 1.00 0.00 C ATOM 807 C GLU A 974 -1.275 -16.198 1.588 1.00 0.00 C ATOM 808 O GLU A 974 -1.118 -15.288 2.412 1.00 0.00 O ATOM 809 CB GLU A 974 -1.471 -18.477 2.523 1.00 0.00 C ATOM 810 CG GLU A 974 -2.508 -17.798 3.422 1.00 0.00 C ATOM 811 CD GLU A 974 -3.505 -18.754 4.020 1.00 0.00 C ATOM 812 OE1 GLU A 974 -3.241 -19.326 5.088 1.00 0.00 O ATOM 813 OE2 GLU A 974 -4.582 -18.952 3.422 1.00 0.00 O ATOM 0 H GLU A 974 0.521 -16.895 3.408 1.00 0.00 H new ATOM 0 HA GLU A 974 -0.290 -17.966 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 974 -1.994 -19.111 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.854 -19.132 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -1.992 -17.274 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -3.042 -17.045 2.842 1.00 0.00 H new ATOM 820 N TRP A 975 -1.991 -16.048 0.518 1.00 0.00 N ATOM 821 CA TRP A 975 -2.928 -14.948 0.445 1.00 0.00 C ATOM 822 C TRP A 975 -4.240 -15.330 1.099 1.00 0.00 C ATOM 823 O TRP A 975 -5.056 -16.069 0.537 1.00 0.00 O ATOM 824 CB TRP A 975 -3.123 -14.421 -0.981 1.00 0.00 C ATOM 825 CG TRP A 975 -1.897 -13.756 -1.485 1.00 0.00 C ATOM 826 CD1 TRP A 975 -1.112 -14.163 -2.506 1.00 0.00 C ATOM 827 CD2 TRP A 975 -1.297 -12.569 -0.953 1.00 0.00 C ATOM 828 NE1 TRP A 975 -0.062 -13.303 -2.650 1.00 0.00 N ATOM 829 CE2 TRP A 975 -0.141 -12.320 -1.703 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.628 -11.695 0.085 1.00 0.00 C ATOM 831 CZ2 TRP A 975 0.697 -11.238 -1.444 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.801 -10.619 0.336 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.351 -10.402 -0.421 1.00 0.00 C ATOM 0 H TRP A 975 -1.955 -16.651 -0.304 1.00 0.00 H new ATOM 0 HA TRP A 975 -2.498 -14.116 1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.389 -15.246 -1.642 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.955 -13.717 -1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.288 -15.037 -3.116 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.670 -13.382 -3.356 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -2.514 -11.858 0.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.588 -11.066 -2.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -1.050 -9.933 1.132 1.00 0.00 H new ATOM 0 HH2 TRP A 975 0.982 -9.556 -0.193 1.00 0.00 H new ATOM 844 N GLU A 976 -4.370 -14.895 2.342 1.00 0.00 N ATOM 845 CA GLU A 976 -5.574 -15.084 3.128 1.00 0.00 C ATOM 846 C GLU A 976 -6.689 -14.239 2.506 1.00 0.00 C ATOM 847 O GLU A 976 -7.827 -14.679 2.337 1.00 0.00 O ATOM 848 CB GLU A 976 -5.284 -14.637 4.573 1.00 0.00 C ATOM 849 CG GLU A 976 -6.478 -14.597 5.519 1.00 0.00 C ATOM 850 CD GLU A 976 -7.117 -15.939 5.792 1.00 0.00 C ATOM 851 OE1 GLU A 976 -6.721 -16.610 6.760 1.00 0.00 O ATOM 852 OE2 GLU A 976 -8.055 -16.323 5.067 1.00 0.00 O ATOM 0 H GLU A 976 -3.632 -14.395 2.838 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.886 -16.128 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -4.535 -15.307 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -4.839 -13.642 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -6.158 -14.163 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -7.232 -13.930 5.101 1.00 0.00 H new ATOM 859 N ASP A 977 -6.308 -13.042 2.109 1.00 0.00 N ATOM 860 CA ASP A 977 -7.220 -12.066 1.539 1.00 0.00 C ATOM 861 C ASP A 977 -7.428 -12.289 0.038 1.00 0.00 C ATOM 862 O ASP A 977 -6.594 -12.923 -0.614 1.00 0.00 O ATOM 863 CB ASP A 977 -6.676 -10.685 1.777 1.00 0.00 C ATOM 864 CG ASP A 977 -6.837 -10.169 3.191 1.00 0.00 C ATOM 865 OD1 ASP A 977 -7.342 -10.890 4.079 1.00 0.00 O ATOM 866 OD2 ASP A 977 -6.474 -8.994 3.421 1.00 0.00 O ATOM 0 H ASP A 977 -5.344 -12.714 2.173 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.189 -12.181 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.616 -10.680 1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -7.171 -9.993 1.095 1.00 0.00 H new ATOM 871 N ASP A 978 -8.533 -11.773 -0.507 1.00 0.00 N ATOM 872 CA ASP A 978 -8.909 -11.988 -1.918 1.00 0.00 C ATOM 873 C ASP A 978 -8.101 -11.173 -2.936 1.00 0.00 C ATOM 874 O ASP A 978 -7.378 -11.753 -3.754 1.00 0.00 O ATOM 875 CB ASP A 978 -10.401 -11.695 -2.160 1.00 0.00 C ATOM 876 CG ASP A 978 -11.348 -12.574 -1.372 1.00 0.00 C ATOM 877 OD1 ASP A 978 -11.508 -13.761 -1.713 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.966 -12.083 -0.397 1.00 0.00 O ATOM 0 H ASP A 978 -9.195 -11.195 0.011 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.681 -13.041 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.599 -10.653 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.614 -11.814 -3.222 1.00 0.00 H new ATOM 883 N ALA A 979 -8.200 -9.842 -2.898 1.00 0.00 N ATOM 884 CA ALA A 979 -7.616 -8.989 -3.941 1.00 0.00 C ATOM 885 C ALA A 979 -7.312 -7.607 -3.363 1.00 0.00 C ATOM 886 O ALA A 979 -8.058 -7.117 -2.524 1.00 0.00 O ATOM 887 CB ALA A 979 -8.572 -8.868 -5.123 1.00 0.00 C ATOM 0 H ALA A 979 -8.679 -9.330 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.689 -9.441 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -8.126 -8.233 -5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.764 -9.857 -5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -9.511 -8.427 -4.788 1.00 0.00 H new ATOM 893 N TRP A 980 -6.227 -6.994 -3.810 1.00 0.00 N ATOM 894 CA TRP A 980 -5.778 -5.726 -3.208 1.00 0.00 C ATOM 895 C TRP A 980 -6.773 -4.637 -3.542 1.00 0.00 C ATOM 896 O TRP A 980 -7.155 -4.458 -4.698 1.00 0.00 O ATOM 897 CB TRP A 980 -4.380 -5.256 -3.649 1.00 0.00 C ATOM 898 CG TRP A 980 -3.296 -6.287 -3.519 1.00 0.00 C ATOM 899 CD1 TRP A 980 -3.280 -7.526 -4.084 1.00 0.00 C ATOM 900 CD2 TRP A 980 -2.046 -6.155 -2.830 1.00 0.00 C ATOM 901 NE1 TRP A 980 -2.125 -8.176 -3.771 1.00 0.00 N ATOM 902 CE2 TRP A 980 -1.342 -7.358 -3.018 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.455 -5.147 -2.069 1.00 0.00 C ATOM 904 CZ2 TRP A 980 -0.081 -7.580 -2.488 1.00 0.00 C ATOM 905 CZ3 TRP A 980 -0.199 -5.369 -1.534 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.477 -6.575 -1.750 1.00 0.00 C ATOM 0 H TRP A 980 -5.643 -7.337 -4.573 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.714 -5.919 -2.137 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.432 -4.934 -4.689 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -4.103 -4.383 -3.059 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -4.072 -7.935 -4.694 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.885 -9.126 -4.056 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.968 -4.212 -1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.440 -8.511 -2.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.268 -4.598 -0.939 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.460 -6.714 -1.325 1.00 0.00 H new ATOM 917 N SER A 981 -7.186 -3.926 -2.535 1.00 0.00 N ATOM 918 CA SER A 981 -8.121 -2.845 -2.688 1.00 0.00 C ATOM 919 C SER A 981 -7.575 -1.729 -1.836 1.00 0.00 C ATOM 920 O SER A 981 -6.523 -1.893 -1.273 1.00 0.00 O ATOM 921 CB SER A 981 -9.538 -3.255 -2.255 1.00 0.00 C ATOM 922 OG SER A 981 -10.474 -2.224 -2.563 1.00 0.00 O ATOM 0 H SER A 981 -6.882 -4.080 -1.574 1.00 0.00 H new ATOM 0 HA SER A 981 -8.221 -2.541 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 981 -9.826 -4.178 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 981 -9.552 -3.459 -1.184 1.00 0.00 H new ATOM 0 HG SER A 981 -11.371 -2.502 -2.282 1.00 0.00 H new ATOM 928 N TYR A 982 -8.269 -0.644 -1.703 1.00 0.00 N ATOM 929 CA TYR A 982 -7.719 0.482 -0.970 1.00 0.00 C ATOM 930 C TYR A 982 -7.782 0.271 0.549 1.00 0.00 C ATOM 931 O TYR A 982 -8.610 -0.490 1.049 1.00 0.00 O ATOM 932 CB TYR A 982 -8.407 1.778 -1.388 1.00 0.00 C ATOM 933 CG TYR A 982 -9.920 1.719 -1.408 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.635 1.141 -0.373 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.624 2.263 -2.463 1.00 0.00 C ATOM 936 CE1 TYR A 982 -12.012 1.099 -0.388 1.00 0.00 C ATOM 937 CE2 TYR A 982 -12.004 2.230 -2.494 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.692 1.645 -1.453 1.00 0.00 C ATOM 939 OH TYR A 982 -14.067 1.612 -1.471 1.00 0.00 O ATOM 0 H TYR A 982 -9.205 -0.501 -2.081 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.662 0.559 -1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -8.098 2.572 -0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -8.056 2.055 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -10.102 0.714 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.086 2.723 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -12.553 0.642 0.428 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.540 2.659 -3.328 1.00 0.00 H new ATOM 0 HH TYR A 982 -14.394 2.039 -2.290 1.00 0.00 H new ATOM 949 N ASP A 983 -6.856 0.885 1.258 1.00 0.00 N ATOM 950 CA ASP A 983 -6.883 0.905 2.716 1.00 0.00 C ATOM 951 C ASP A 983 -7.647 2.132 3.143 1.00 0.00 C ATOM 952 O ASP A 983 -7.345 3.224 2.679 1.00 0.00 O ATOM 953 CB ASP A 983 -5.463 0.963 3.294 1.00 0.00 C ATOM 954 CG ASP A 983 -5.395 1.027 4.821 1.00 0.00 C ATOM 955 OD1 ASP A 983 -6.421 0.889 5.516 1.00 0.00 O ATOM 956 OD2 ASP A 983 -4.283 1.203 5.360 1.00 0.00 O ATOM 0 H ASP A 983 -6.066 1.383 0.848 1.00 0.00 H new ATOM 0 HA ASP A 983 -7.357 -0.005 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -4.912 0.085 2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -4.954 1.836 2.885 1.00 0.00 H new ATOM 961 N ILE A 984 -8.663 1.948 3.956 1.00 0.00 N ATOM 962 CA ILE A 984 -9.441 3.065 4.461 1.00 0.00 C ATOM 963 C ILE A 984 -9.389 3.165 5.976 1.00 0.00 C ATOM 964 O ILE A 984 -10.029 4.033 6.571 1.00 0.00 O ATOM 965 CB ILE A 984 -10.916 3.013 3.971 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.549 1.608 4.088 1.00 0.00 C ATOM 967 CG2 ILE A 984 -11.001 3.502 2.541 1.00 0.00 C ATOM 968 CD1 ILE A 984 -11.803 1.111 5.499 1.00 0.00 C ATOM 0 H ILE A 984 -8.973 1.034 4.284 1.00 0.00 H new ATOM 0 HA ILE A 984 -8.979 3.964 4.053 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.488 3.668 4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -12.496 1.611 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -10.898 0.894 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -12.037 3.463 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.640 4.529 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.388 2.867 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -12.248 0.117 5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -10.860 1.065 6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -12.483 1.794 6.008 1.00 0.00 H new ATOM 980 N ASN A 985 -8.560 2.341 6.594 1.00 0.00 N ATOM 981 CA ASN A 985 -8.546 2.223 8.051 1.00 0.00 C ATOM 982 C ASN A 985 -7.496 3.158 8.662 1.00 0.00 C ATOM 983 O ASN A 985 -7.102 3.022 9.819 1.00 0.00 O ATOM 984 CB ASN A 985 -8.246 0.768 8.433 1.00 0.00 C ATOM 985 CG ASN A 985 -8.492 0.451 9.899 1.00 0.00 C ATOM 986 OD1 ASN A 985 -9.406 0.991 10.526 1.00 0.00 O ATOM 987 ND2 ASN A 985 -7.671 -0.419 10.454 1.00 0.00 N ATOM 0 H ASN A 985 -7.887 1.743 6.115 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.522 2.512 8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -8.861 0.108 7.821 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -7.206 0.547 8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -7.780 -0.667 11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -6.927 -0.843 9.900 1.00 0.00 H new ATOM 994 N ARG A 986 -7.068 4.142 7.897 1.00 0.00 N ATOM 995 CA ARG A 986 -6.030 5.074 8.320 1.00 0.00 C ATOM 996 C ARG A 986 -6.428 6.460 7.846 1.00 0.00 C ATOM 997 O ARG A 986 -7.532 6.623 7.308 1.00 0.00 O ATOM 998 CB ARG A 986 -4.632 4.717 7.764 1.00 0.00 C ATOM 999 CG ARG A 986 -3.866 3.638 8.531 1.00 0.00 C ATOM 1000 CD ARG A 986 -4.417 2.240 8.316 1.00 0.00 C ATOM 1001 NE ARG A 986 -3.737 1.251 9.150 1.00 0.00 N ATOM 1002 CZ ARG A 986 -3.362 0.038 8.741 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -3.530 -0.325 7.472 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -2.809 -0.808 9.602 1.00 0.00 N ATOM 0 H ARG A 986 -7.429 4.322 6.960 1.00 0.00 H new ATOM 0 HA ARG A 986 -5.951 5.026 9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -4.746 4.390 6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -4.026 5.623 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -2.820 3.659 8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -3.892 3.871 9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -5.484 2.232 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -4.310 1.965 7.267 1.00 0.00 H new ATOM 0 HE ARG A 986 -3.534 1.507 10.116 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -3.947 0.326 6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -3.241 -1.254 7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -2.672 -0.530 10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -2.521 -1.736 9.292 1.00 0.00 H new ATOM 1018 N ALA A 987 -5.574 7.450 8.067 1.00 0.00 N ATOM 1019 CA ALA A 987 -5.821 8.800 7.579 1.00 0.00 C ATOM 1020 C ALA A 987 -5.565 8.875 6.074 1.00 0.00 C ATOM 1021 O ALA A 987 -4.518 9.331 5.612 1.00 0.00 O ATOM 1022 CB ALA A 987 -4.972 9.819 8.331 1.00 0.00 C ATOM 0 H ALA A 987 -4.701 7.343 8.583 1.00 0.00 H new ATOM 0 HA ALA A 987 -6.867 9.045 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.177 10.818 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.215 9.782 9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -3.916 9.586 8.192 1.00 0.00 H new ATOM 1028 N VAL A 988 -6.515 8.333 5.337 1.00 0.00 N ATOM 1029 CA VAL A 988 -6.487 8.234 3.890 1.00 0.00 C ATOM 1030 C VAL A 988 -7.898 8.427 3.366 1.00 0.00 C ATOM 1031 O VAL A 988 -8.871 8.223 4.105 1.00 0.00 O ATOM 1032 CB VAL A 988 -5.956 6.854 3.419 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -4.458 6.730 3.642 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -6.674 5.738 4.152 1.00 0.00 C ATOM 0 H VAL A 988 -7.360 7.934 5.745 1.00 0.00 H new ATOM 0 HA VAL A 988 -5.816 9.001 3.504 1.00 0.00 H new ATOM 0 HB VAL A 988 -6.151 6.772 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -4.119 5.752 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -3.941 7.509 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -4.238 6.841 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -6.292 4.775 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -6.504 5.838 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -7.743 5.797 3.947 1.00 0.00 H new ATOM 1044 N ASP A 989 -7.997 8.915 2.140 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.276 9.117 1.445 1.00 0.00 C ATOM 1046 C ASP A 989 -10.099 7.827 1.373 1.00 0.00 C ATOM 1047 O ASP A 989 -9.597 6.749 1.684 1.00 0.00 O ATOM 1048 CB ASP A 989 -8.997 9.615 0.021 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.244 9.963 -0.749 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -10.859 11.005 -0.452 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -10.650 9.175 -1.628 1.00 0.00 O ATOM 0 H ASP A 989 -7.186 9.188 1.585 1.00 0.00 H new ATOM 0 HA ASP A 989 -9.853 9.851 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.354 10.493 0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -8.446 8.847 -0.523 1.00 0.00 H new ATOM 1056 N GLU A 990 -11.354 7.940 0.939 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.218 6.790 0.711 1.00 0.00 C ATOM 1058 C GLU A 990 -11.601 5.837 -0.277 1.00 0.00 C ATOM 1059 O GLU A 990 -11.824 4.634 -0.227 1.00 0.00 O ATOM 1060 CB GLU A 990 -13.569 7.217 0.169 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.470 7.795 1.218 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.831 8.137 0.666 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -16.627 7.210 0.397 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -16.122 9.333 0.464 1.00 0.00 O ATOM 0 H GLU A 990 -11.798 8.836 0.736 1.00 0.00 H new ATOM 0 HA GLU A 990 -12.345 6.297 1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -13.420 7.955 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.059 6.357 -0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -14.579 7.082 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -14.012 8.692 1.636 1.00 0.00 H new ATOM 1071 N LYS A 991 -10.877 6.384 -1.222 1.00 0.00 N ATOM 1072 CA LYS A 991 -10.242 5.556 -2.197 1.00 0.00 C ATOM 1073 C LYS A 991 -8.790 5.276 -1.813 1.00 0.00 C ATOM 1074 O LYS A 991 -8.024 4.719 -2.604 1.00 0.00 O ATOM 1075 CB LYS A 991 -10.358 6.225 -3.557 1.00 0.00 C ATOM 1076 CG LYS A 991 -11.790 6.604 -3.872 1.00 0.00 C ATOM 1077 CD LYS A 991 -11.892 7.502 -5.082 1.00 0.00 C ATOM 1078 CE LYS A 991 -13.311 8.008 -5.232 1.00 0.00 C ATOM 1079 NZ LYS A 991 -13.458 8.916 -6.397 1.00 0.00 N ATOM 0 H LYS A 991 -10.718 7.386 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 991 -10.739 4.587 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -9.732 7.117 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -9.981 5.552 -4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -12.374 5.700 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.228 7.108 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -11.206 8.343 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -11.595 6.955 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -13.988 7.161 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -13.606 8.533 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -14.444 9.239 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -12.832 9.738 -6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -13.201 8.408 -7.268 1.00 0.00 H new ATOM 1093 N GLY A 992 -8.407 5.706 -0.615 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.091 5.431 -0.075 1.00 0.00 C ATOM 1095 C GLY A 992 -6.114 6.545 -0.367 1.00 0.00 C ATOM 1096 O GLY A 992 -5.015 6.565 0.175 1.00 0.00 O ATOM 0 H GLY A 992 -9.004 6.254 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.165 5.287 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -6.714 4.499 -0.496 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.510 7.414 -1.287 1.00 0.00 N ATOM 1101 CA TRP A 993 -5.698 8.553 -1.711 1.00 0.00 C ATOM 1102 C TRP A 993 -5.182 9.392 -0.546 1.00 0.00 C ATOM 1103 O TRP A 993 -5.905 9.717 0.403 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.462 9.435 -2.701 1.00 0.00 C ATOM 1105 CG TRP A 993 -6.804 8.738 -3.986 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.050 8.484 -4.473 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -5.883 8.197 -4.941 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -7.960 7.825 -5.675 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -6.645 7.644 -5.986 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -4.490 8.132 -5.020 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -6.061 7.038 -7.093 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -3.912 7.529 -6.120 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -4.697 6.993 -7.142 1.00 0.00 C ATOM 0 H TRP A 993 -7.409 7.351 -1.765 1.00 0.00 H new ATOM 0 HA TRP A 993 -4.824 8.130 -2.207 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.381 9.783 -2.230 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -5.864 10.318 -2.924 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -8.973 8.760 -3.986 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -8.750 7.520 -6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -3.875 8.546 -4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -6.664 6.618 -7.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -2.836 7.471 -6.190 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.215 6.532 -7.991 1.00 0.00 H new ATOM 1124 N GLU A 994 -3.918 9.734 -0.639 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.210 10.507 0.342 1.00 0.00 C ATOM 1126 C GLU A 994 -2.822 11.826 -0.280 1.00 0.00 C ATOM 1127 O GLU A 994 -2.498 11.901 -1.482 1.00 0.00 O ATOM 1128 CB GLU A 994 -1.921 9.818 0.783 1.00 0.00 C ATOM 1129 CG GLU A 994 -2.126 8.413 1.276 1.00 0.00 C ATOM 1130 CD GLU A 994 -0.865 7.784 1.821 1.00 0.00 C ATOM 1131 OE1 GLU A 994 0.090 7.593 1.057 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -0.809 7.479 3.038 1.00 0.00 O ATOM 0 H GLU A 994 -3.336 9.468 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 994 -3.862 10.631 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -1.223 9.802 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -1.457 10.407 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.889 8.416 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -2.506 7.800 0.459 1.00 0.00 H new ATOM 1139 N TYR A 995 -2.783 12.807 0.585 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.496 14.185 0.283 1.00 0.00 C ATOM 1141 C TYR A 995 -0.994 14.365 0.183 1.00 0.00 C ATOM 1142 O TYR A 995 -0.338 14.374 1.187 1.00 0.00 O ATOM 1143 CB TYR A 995 -3.101 15.024 1.436 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.795 16.517 1.525 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -1.537 16.981 1.902 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -3.786 17.459 1.286 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -1.273 18.325 2.023 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -3.529 18.809 1.412 1.00 0.00 C ATOM 1149 CZ TYR A 995 -2.272 19.235 1.781 1.00 0.00 C ATOM 1150 OH TYR A 995 -2.006 20.575 1.893 1.00 0.00 O ATOM 0 H TYR A 995 -2.961 12.655 1.578 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.925 14.503 -0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.184 14.916 1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -2.780 14.569 2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -0.751 16.269 2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -4.773 17.130 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -0.287 18.662 2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -4.311 19.529 1.222 1.00 0.00 H new ATOM 0 HH TYR A 995 -1.161 20.702 2.373 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.448 14.418 -1.016 1.00 0.00 N ATOM 1161 CA GLY A 996 0.960 14.722 -1.135 1.00 0.00 C ATOM 1162 C GLY A 996 1.204 15.929 -2.012 1.00 0.00 C ATOM 1163 O GLY A 996 1.127 15.842 -3.233 1.00 0.00 O ATOM 0 H GLY A 996 -0.941 14.260 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.377 14.903 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.484 13.860 -1.549 1.00 0.00 H new ATOM 1167 N ILE A 997 1.466 17.080 -1.433 1.00 0.00 N ATOM 1168 CA ILE A 997 1.710 18.246 -2.263 1.00 0.00 C ATOM 1169 C ILE A 997 3.201 18.488 -2.290 1.00 0.00 C ATOM 1170 O ILE A 997 3.925 18.093 -1.372 1.00 0.00 O ATOM 1171 CB ILE A 997 0.998 19.539 -1.776 1.00 0.00 C ATOM 1172 CG1 ILE A 997 1.833 20.246 -0.698 1.00 0.00 C ATOM 1173 CG2 ILE A 997 -0.412 19.238 -1.288 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.064 21.216 0.181 1.00 0.00 C ATOM 0 H ILE A 997 1.516 17.236 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 997 1.299 18.031 -3.250 1.00 0.00 H new ATOM 0 HB ILE A 997 0.908 20.219 -2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 997 2.292 19.489 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 997 2.644 20.787 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -0.886 20.161 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -0.994 18.805 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -0.367 18.532 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 997 1.741 21.663 0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 997 0.628 22.000 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 997 0.270 20.682 0.704 1.00 0.00 H new ATOM 1186 N THR A 998 3.658 19.052 -3.358 1.00 0.00 N ATOM 1187 CA THR A 998 5.040 19.391 -3.484 1.00 0.00 C ATOM 1188 C THR A 998 5.160 20.853 -3.886 1.00 0.00 C ATOM 1189 O THR A 998 4.839 21.204 -5.023 1.00 0.00 O ATOM 1190 CB THR A 998 5.632 18.519 -4.587 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.256 17.149 -4.382 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.136 18.634 -4.648 1.00 0.00 C ATOM 0 H THR A 998 3.087 19.292 -4.168 1.00 0.00 H new ATOM 0 HA THR A 998 5.564 19.231 -2.542 1.00 0.00 H new ATOM 0 HB THR A 998 5.233 18.872 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.638 16.595 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.517 17.998 -5.446 1.00 0.00 H new ATOM 0 HG22 THR A 998 7.414 19.669 -4.845 1.00 0.00 H new ATOM 0 HG23 THR A 998 7.564 18.318 -3.697 1.00 0.00 H new ATOM 1200 N ILE A 999 5.492 21.727 -2.955 1.00 0.00 N ATOM 1201 CA ILE A 999 5.735 23.110 -3.311 1.00 0.00 C ATOM 1202 C ILE A 999 7.189 23.318 -3.732 1.00 0.00 C ATOM 1203 O ILE A 999 8.114 23.160 -2.929 1.00 0.00 O ATOM 1204 CB ILE A 999 5.327 24.075 -2.176 1.00 0.00 C ATOM 1205 CG1 ILE A 999 5.903 23.624 -0.821 1.00 0.00 C ATOM 1206 CG2 ILE A 999 3.812 24.159 -2.131 1.00 0.00 C ATOM 1207 CD1 ILE A 999 5.611 24.571 0.327 1.00 0.00 C ATOM 0 H ILE A 999 5.598 21.509 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 999 5.104 23.346 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 999 5.740 25.064 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 999 5.500 22.641 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 999 6.983 23.511 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 999 3.509 24.837 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 999 3.440 24.531 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 999 3.398 23.169 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 999 6.052 24.179 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 999 6.038 25.550 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 999 4.533 24.666 0.455 1.00 0.00 H new ATOM 1219 N PRO A1000 7.414 23.623 -5.020 1.00 0.00 N ATOM 1220 CA PRO A1000 8.755 23.780 -5.570 1.00 0.00 C ATOM 1221 C PRO A1000 9.460 25.043 -5.073 1.00 0.00 C ATOM 1222 O PRO A1000 8.814 26.071 -4.837 1.00 0.00 O ATOM 1223 CB PRO A1000 8.535 23.843 -7.087 1.00 0.00 C ATOM 1224 CG PRO A1000 7.095 23.536 -7.314 1.00 0.00 C ATOM 1225 CD PRO A1000 6.386 23.862 -6.039 1.00 0.00 C ATOM 0 HA PRO A1000 9.405 22.961 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A1000 8.788 24.829 -7.476 1.00 0.00 H new ATOM 0 HB3 PRO A1000 9.172 23.124 -7.602 1.00 0.00 H new ATOM 0 HG2 PRO A1000 6.698 24.126 -8.140 1.00 0.00 H new ATOM 0 HG3 PRO A1000 6.959 22.487 -7.577 1.00 0.00 H new ATOM 0 HD2 PRO A1000 6.035 24.894 -6.025 1.00 0.00 H new ATOM 0 HD3 PRO A1000 5.513 23.227 -5.889 1.00 0.00 H new ATOM 1233 N PRO A1001 10.797 24.975 -4.923 1.00 0.00 N ATOM 1234 CA PRO A1001 11.562 23.774 -5.202 1.00 0.00 C ATOM 1235 C PRO A1001 11.575 22.803 -4.049 1.00 0.00 C ATOM 1236 O PRO A1001 11.796 23.162 -2.884 1.00 0.00 O ATOM 1237 CB PRO A1001 12.974 24.253 -5.485 1.00 0.00 C ATOM 1238 CG PRO A1001 12.990 25.693 -5.143 1.00 0.00 C ATOM 1239 CD PRO A1001 11.672 26.059 -4.498 1.00 0.00 C ATOM 0 HA PRO A1001 11.116 23.233 -6.037 1.00 0.00 H new ATOM 0 HB2 PRO A1001 13.700 23.702 -4.888 1.00 0.00 H new ATOM 0 HB3 PRO A1001 13.237 24.097 -6.531 1.00 0.00 H new ATOM 0 HG2 PRO A1001 13.815 25.910 -4.464 1.00 0.00 H new ATOM 0 HG3 PRO A1001 13.150 26.292 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A1001 11.753 26.112 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A1001 11.310 27.029 -4.838 1.00 0.00 H new ATOM 1247 N ASP A1002 11.385 21.587 -4.450 1.00 0.00 N ATOM 1248 CA ASP A1002 11.260 20.403 -3.598 1.00 0.00 C ATOM 1249 C ASP A1002 10.740 19.317 -4.499 1.00 0.00 C ATOM 1250 O ASP A1002 10.130 19.640 -5.523 1.00 0.00 O ATOM 1251 CB ASP A1002 10.281 20.626 -2.434 1.00 0.00 C ATOM 1252 CG ASP A1002 10.298 19.506 -1.423 1.00 0.00 C ATOM 1253 OD1 ASP A1002 11.342 18.833 -1.283 1.00 0.00 O ATOM 1254 OD2 ASP A1002 9.294 19.299 -0.715 1.00 0.00 O ATOM 0 H ASP A1002 11.305 21.358 -5.441 1.00 0.00 H new ATOM 0 HA ASP A1002 12.220 20.155 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP A1002 10.528 21.563 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A1002 9.272 20.733 -2.831 1.00 0.00 H new ATOM 1259 N HIS A1003 10.978 18.058 -4.198 1.00 0.00 N ATOM 1260 CA HIS A1003 10.569 17.035 -5.127 1.00 0.00 C ATOM 1261 C HIS A1003 9.560 16.071 -4.519 1.00 0.00 C ATOM 1262 O HIS A1003 8.607 15.670 -5.186 1.00 0.00 O ATOM 1263 CB HIS A1003 11.794 16.291 -5.658 1.00 0.00 C ATOM 1264 CG HIS A1003 11.534 15.580 -6.946 1.00 0.00 C ATOM 1265 ND1 HIS A1003 11.947 14.300 -7.214 1.00 0.00 N ATOM 1266 CD2 HIS A1003 10.915 16.015 -8.061 1.00 0.00 C ATOM 1267 CE1 HIS A1003 11.593 13.974 -8.440 1.00 0.00 C ATOM 1268 NE2 HIS A1003 10.960 14.995 -8.982 1.00 0.00 N ATOM 0 H HIS A1003 11.436 17.729 -3.348 1.00 0.00 H new ATOM 0 HA HIS A1003 10.064 17.525 -5.959 1.00 0.00 H new ATOM 0 HB2 HIS A1003 12.610 17.000 -5.799 1.00 0.00 H new ATOM 0 HB3 HIS A1003 12.125 15.569 -4.912 1.00 0.00 H new ATOM 0 HD2 HIS A1003 10.466 16.987 -8.205 1.00 0.00 H new ATOM 0 HE1 HIS A1003 11.789 13.027 -8.921 1.00 0.00 H new ATOM 0 HE2 HIS A1003 10.570 15.024 -9.924 1.00 0.00 H new ATOM 1277 N LYS A1004 9.760 15.690 -3.282 1.00 0.00 N ATOM 1278 CA LYS A1004 8.892 14.725 -2.639 1.00 0.00 C ATOM 1279 C LYS A1004 7.934 15.371 -1.650 1.00 0.00 C ATOM 1280 O LYS A1004 8.342 16.199 -0.838 1.00 0.00 O ATOM 1281 CB LYS A1004 9.751 13.728 -1.895 1.00 0.00 C ATOM 1282 CG LYS A1004 10.724 12.991 -2.781 1.00 0.00 C ATOM 1283 CD LYS A1004 11.896 12.535 -1.959 1.00 0.00 C ATOM 1284 CE LYS A1004 12.865 11.700 -2.771 1.00 0.00 C ATOM 1285 NZ LYS A1004 14.019 11.253 -1.960 1.00 0.00 N ATOM 0 H LYS A1004 10.520 16.033 -2.694 1.00 0.00 H new ATOM 0 HA LYS A1004 8.295 14.246 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A1004 10.306 14.249 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A1004 9.105 13.004 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A1004 10.235 12.134 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A1004 11.062 13.640 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A1004 12.416 13.404 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A1004 11.539 11.953 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A1004 12.346 10.831 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A1004 13.222 12.281 -3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 14.659 10.685 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 14.529 12.083 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 13.681 10.677 -1.163 1.00 0.00 H new ATOM 1299 N PRO A1005 6.644 15.011 -1.737 1.00 0.00 N ATOM 1300 CA PRO A1005 5.640 15.384 -0.738 1.00 0.00 C ATOM 1301 C PRO A1005 6.054 14.926 0.646 1.00 0.00 C ATOM 1302 O PRO A1005 6.370 13.750 0.855 1.00 0.00 O ATOM 1303 CB PRO A1005 4.411 14.595 -1.167 1.00 0.00 C ATOM 1304 CG PRO A1005 4.578 14.429 -2.628 1.00 0.00 C ATOM 1305 CD PRO A1005 6.052 14.249 -2.845 1.00 0.00 C ATOM 0 HA PRO A1005 5.488 16.462 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.359 13.631 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.491 15.130 -0.929 1.00 0.00 H new ATOM 0 HG2 PRO A1005 4.020 13.566 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.205 15.300 -3.167 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.340 13.198 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.367 14.635 -3.814 1.00 0.00 H new ATOM 1313 N LYS A1006 6.093 15.847 1.574 1.00 0.00 N ATOM 1314 CA LYS A1006 6.479 15.537 2.930 1.00 0.00 C ATOM 1315 C LYS A1006 5.226 15.265 3.751 1.00 0.00 C ATOM 1316 O LYS A1006 5.147 14.291 4.508 1.00 0.00 O ATOM 1317 CB LYS A1006 7.225 16.744 3.507 1.00 0.00 C ATOM 1318 CG LYS A1006 8.348 17.236 2.608 1.00 0.00 C ATOM 1319 CD LYS A1006 9.537 16.289 2.603 1.00 0.00 C ATOM 1320 CE LYS A1006 10.490 16.583 1.451 1.00 0.00 C ATOM 1321 NZ LYS A1006 10.719 18.035 1.250 1.00 0.00 N ATOM 0 H LYS A1006 5.860 16.827 1.415 1.00 0.00 H new ATOM 0 HA LYS A1006 7.123 14.658 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A1006 6.517 17.556 3.672 1.00 0.00 H new ATOM 0 HB3 LYS A1006 7.637 16.478 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A1006 7.973 17.351 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A1006 8.672 18.222 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A1006 10.073 16.373 3.548 1.00 0.00 H new ATOM 0 HD3 LYS A1006 9.183 15.261 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A1006 11.445 16.092 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A1006 10.088 16.153 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 11.485 18.173 0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 9.848 18.478 0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 10.984 18.473 2.155 1.00 0.00 H new ATOM 1335 N SER A1007 4.274 16.167 3.609 1.00 0.00 N ATOM 1336 CA SER A1007 3.015 16.107 4.316 1.00 0.00 C ATOM 1337 C SER A1007 2.011 15.224 3.577 1.00 0.00 C ATOM 1338 O SER A1007 1.877 15.317 2.356 1.00 0.00 O ATOM 1339 CB SER A1007 2.471 17.535 4.489 1.00 0.00 C ATOM 1340 OG SER A1007 1.260 17.565 5.233 1.00 0.00 O ATOM 0 H SER A1007 4.357 16.973 2.989 1.00 0.00 H new ATOM 0 HA SER A1007 3.174 15.660 5.297 1.00 0.00 H new ATOM 0 HB2 SER A1007 3.219 18.148 4.992 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.303 17.979 3.508 1.00 0.00 H new ATOM 0 HG SER A1007 0.952 18.491 5.320 1.00 0.00 H new ATOM 1346 N TRP A1008 1.339 14.364 4.348 1.00 0.00 N ATOM 1347 CA TRP A1008 0.284 13.476 3.862 1.00 0.00 C ATOM 1348 C TRP A1008 -0.910 13.595 4.790 1.00 0.00 C ATOM 1349 O TRP A1008 -0.767 13.617 6.015 1.00 0.00 O ATOM 1350 CB TRP A1008 0.748 12.019 3.787 1.00 0.00 C ATOM 1351 CG TRP A1008 2.000 11.865 3.014 1.00 0.00 C ATOM 1352 CD1 TRP A1008 3.253 12.003 3.493 1.00 0.00 C ATOM 1353 CD2 TRP A1008 2.123 11.565 1.620 1.00 0.00 C ATOM 1354 NE1 TRP A1008 4.150 11.833 2.491 1.00 0.00 N ATOM 1355 CE2 TRP A1008 3.492 11.550 1.328 1.00 0.00 C ATOM 1356 CE3 TRP A1008 1.212 11.312 0.592 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.984 11.293 0.050 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.697 11.057 -0.674 1.00 0.00 C ATOM 1359 CH2 TRP A1008 3.073 11.047 -0.936 1.00 0.00 C ATOM 0 H TRP A1008 1.518 14.265 5.347 1.00 0.00 H new ATOM 0 HA TRP A1008 0.015 13.777 2.849 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.898 11.636 4.796 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.035 11.414 3.330 1.00 0.00 H new ATOM 0 HD1 TRP A1008 3.504 12.217 4.521 1.00 0.00 H new ATOM 0 HE1 TRP A1008 5.163 11.905 2.590 1.00 0.00 H new ATOM 0 HE3 TRP A1008 0.149 11.316 0.784 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 5.045 11.289 -0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 1.003 10.861 -1.478 1.00 0.00 H new ATOM 0 HH2 TRP A1008 3.420 10.841 -1.938 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.081 13.673 4.196 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.348 13.871 4.893 1.00 0.00 C ATOM 1372 C VAL A1009 -4.357 13.097 4.037 1.00 0.00 C ATOM 1373 O VAL A1009 -3.928 12.307 3.204 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.753 15.392 4.978 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -4.905 15.624 5.948 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -2.585 16.287 5.380 1.00 0.00 C ATOM 0 H VAL A1009 -2.188 13.599 3.184 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.298 13.530 5.927 1.00 0.00 H new ATOM 0 HB VAL A1009 -4.070 15.661 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -5.150 16.686 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -5.777 15.058 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -4.613 15.294 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.919 17.324 5.423 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -2.215 15.984 6.359 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -1.786 16.194 4.645 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.648 13.298 4.186 1.00 0.00 N ATOM 1387 CA ALA A1010 -6.603 12.588 3.349 1.00 0.00 C ATOM 1388 C ALA A1010 -7.376 13.539 2.442 1.00 0.00 C ATOM 1389 O ALA A1010 -8.380 13.148 1.849 1.00 0.00 O ATOM 1390 CB ALA A1010 -7.568 11.799 4.213 1.00 0.00 C ATOM 0 H ALA A1010 -6.061 13.936 4.866 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.040 11.904 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -8.278 11.271 3.576 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.013 11.078 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.107 12.480 4.872 1.00 0.00 H new ATOM 1396 N ALA A1011 -6.935 14.786 2.340 1.00 0.00 N ATOM 1397 CA ALA A1011 -7.632 15.790 1.538 1.00 0.00 C ATOM 1398 C ALA A1011 -7.184 15.810 0.069 1.00 0.00 C ATOM 1399 O ALA A1011 -6.413 14.959 -0.378 1.00 0.00 O ATOM 1400 CB ALA A1011 -7.413 17.154 2.169 1.00 0.00 C ATOM 0 H ALA A1011 -6.094 15.130 2.804 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.690 15.530 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -7.928 17.914 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -7.808 17.152 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -6.346 17.376 2.195 1.00 0.00 H new ATOM 1406 N GLU A1012 -7.572 16.878 -0.630 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.339 17.042 -2.045 1.00 0.00 C ATOM 1408 C GLU A1012 -7.421 18.528 -2.381 1.00 0.00 C ATOM 1409 O GLU A1012 -8.497 19.126 -2.341 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.349 16.245 -2.870 1.00 0.00 C ATOM 1411 CG GLU A1012 -8.225 16.450 -4.373 1.00 0.00 C ATOM 1412 CD GLU A1012 -6.918 16.012 -4.962 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -5.959 16.779 -4.872 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -6.853 14.910 -5.543 1.00 0.00 O ATOM 0 H GLU A1012 -8.067 17.664 -0.208 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.349 16.659 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.227 15.185 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.356 16.523 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -9.030 15.907 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -8.371 17.507 -4.594 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.267 19.119 -2.623 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.159 20.513 -2.999 1.00 0.00 C ATOM 1423 C LYS A1013 -5.693 20.596 -4.432 1.00 0.00 C ATOM 1424 O LYS A1013 -4.988 19.702 -4.881 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.116 21.219 -2.147 1.00 0.00 C ATOM 1426 CG LYS A1013 -5.439 21.269 -0.679 1.00 0.00 C ATOM 1427 CD LYS A1013 -4.372 22.029 0.081 1.00 0.00 C ATOM 1428 CE LYS A1013 -4.377 23.515 -0.274 1.00 0.00 C ATOM 1429 NZ LYS A1013 -3.334 24.277 0.453 1.00 0.00 N ATOM 0 H LYS A1013 -5.369 18.639 -2.563 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.133 20.983 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -4.158 20.717 -2.278 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -4.995 22.238 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -6.407 21.747 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -5.520 20.256 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -4.534 21.910 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -3.393 21.604 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -4.224 23.629 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -5.356 23.936 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -3.380 25.279 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -3.493 24.193 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -2.396 23.895 0.216 1.00 0.00 H new ATOM 1443 N MET A1014 -6.069 21.653 -5.124 1.00 0.00 N ATOM 1444 CA MET A1014 -5.610 21.917 -6.487 1.00 0.00 C ATOM 1445 C MET A1014 -4.102 21.887 -6.566 1.00 0.00 C ATOM 1446 O MET A1014 -3.537 21.387 -7.534 1.00 0.00 O ATOM 1447 CB MET A1014 -6.101 23.274 -6.937 1.00 0.00 C ATOM 1448 CG MET A1014 -5.718 23.646 -8.362 1.00 0.00 C ATOM 1449 SD MET A1014 -6.134 25.356 -8.769 1.00 0.00 S ATOM 1450 CE MET A1014 -5.112 26.232 -7.583 1.00 0.00 C ATOM 0 H MET A1014 -6.706 22.362 -4.760 1.00 0.00 H new ATOM 0 HA MET A1014 -6.011 21.139 -7.136 1.00 0.00 H new ATOM 0 HB2 MET A1014 -7.187 23.301 -6.848 1.00 0.00 H new ATOM 0 HB3 MET A1014 -5.707 24.031 -6.259 1.00 0.00 H new ATOM 0 HG2 MET A1014 -4.647 23.494 -8.498 1.00 0.00 H new ATOM 0 HG3 MET A1014 -6.225 22.977 -9.057 1.00 0.00 H new ATOM 0 HE1 MET A1014 -4.926 27.244 -7.941 1.00 0.00 H new ATOM 0 HE2 MET A1014 -5.625 26.276 -6.622 1.00 0.00 H new ATOM 0 HE3 MET A1014 -4.163 25.709 -7.464 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.443 22.397 -5.526 1.00 0.00 N ATOM 1461 CA TYR A1015 -1.984 22.380 -5.431 1.00 0.00 C ATOM 1462 C TYR A1015 -1.427 20.970 -5.229 1.00 0.00 C ATOM 1463 O TYR A1015 -0.273 20.797 -4.833 1.00 0.00 O ATOM 1464 CB TYR A1015 -1.531 23.282 -4.278 1.00 0.00 C ATOM 1465 CG TYR A1015 -1.915 24.732 -4.459 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -1.108 25.587 -5.195 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -3.086 25.241 -3.912 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -1.454 26.908 -5.380 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -3.443 26.561 -4.100 1.00 0.00 C ATOM 1470 CZ TYR A1015 -2.622 27.391 -4.834 1.00 0.00 C ATOM 1471 OH TYR A1015 -2.979 28.707 -5.047 1.00 0.00 O ATOM 0 H TYR A1015 -3.904 22.833 -4.727 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.593 22.752 -6.378 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -1.963 22.914 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -0.448 23.211 -4.176 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -0.194 25.211 -5.630 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -3.727 24.594 -3.331 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -0.812 27.562 -5.951 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -4.360 26.942 -3.675 1.00 0.00 H new ATOM 0 HH TYR A1015 -3.830 28.892 -4.597 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.234 19.959 -5.489 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.767 18.590 -5.402 1.00 0.00 C ATOM 1483 C HIS A1016 -0.991 18.209 -6.626 1.00 0.00 C ATOM 1484 O HIS A1016 -1.526 18.164 -7.724 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.921 17.619 -5.189 1.00 0.00 C ATOM 1486 CG HIS A1016 -2.975 17.116 -3.809 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -4.142 16.885 -3.163 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -2.002 16.854 -2.932 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -3.909 16.526 -1.934 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -2.605 16.492 -1.763 1.00 0.00 N ATOM 0 H HIS A1016 -3.212 20.060 -5.761 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.107 18.528 -4.537 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.861 18.116 -5.430 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.819 16.779 -5.876 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -5.069 16.979 -3.579 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -0.939 16.917 -3.114 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -4.654 16.297 -1.187 1.00 0.00 H new ATOM 1499 N THR A1017 0.267 17.933 -6.408 1.00 0.00 N ATOM 1500 CA THR A1017 1.160 17.516 -7.449 1.00 0.00 C ATOM 1501 C THR A1017 1.231 15.998 -7.451 1.00 0.00 C ATOM 1502 O THR A1017 1.490 15.364 -8.462 1.00 0.00 O ATOM 1503 CB THR A1017 2.545 18.094 -7.157 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.819 17.896 -5.757 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.603 19.577 -7.487 1.00 0.00 C ATOM 0 H THR A1017 0.704 17.993 -5.488 1.00 0.00 H new ATOM 0 HA THR A1017 0.810 17.866 -8.420 1.00 0.00 H new ATOM 0 HB THR A1017 3.288 17.590 -7.775 1.00 0.00 H new ATOM 0 HG1 THR A1017 3.262 17.031 -5.629 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.600 19.960 -7.269 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.381 19.723 -8.544 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.869 20.113 -6.885 1.00 0.00 H new ATOM 1513 N HIS A1018 0.989 15.435 -6.287 1.00 0.00 N ATOM 1514 CA HIS A1018 1.095 13.999 -6.053 1.00 0.00 C ATOM 1515 C HIS A1018 -0.030 13.492 -5.185 1.00 0.00 C ATOM 1516 O HIS A1018 -0.654 14.235 -4.418 1.00 0.00 O ATOM 1517 CB HIS A1018 2.410 13.627 -5.354 1.00 0.00 C ATOM 1518 CG HIS A1018 3.582 13.382 -6.249 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.405 12.290 -6.115 1.00 0.00 N ATOM 1520 CD2 HIS A1018 4.108 14.118 -7.238 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.390 12.372 -6.979 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.241 13.478 -7.681 1.00 0.00 N ATOM 0 H HIS A1018 0.709 15.964 -5.461 1.00 0.00 H new ATOM 0 HA HIS A1018 1.052 13.539 -7.040 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.669 14.427 -4.661 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.240 12.731 -4.757 1.00 0.00 H new ATOM 0 HD2 HIS A1018 3.712 15.048 -7.619 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.188 11.654 -7.095 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.859 13.803 -8.424 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.320 12.238 -5.362 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.216 11.518 -4.493 1.00 0.00 C ATOM 1533 C ARG A1019 -0.865 10.061 -4.631 1.00 0.00 C ATOM 1534 O ARG A1019 -0.335 9.651 -5.676 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.688 11.716 -4.867 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.099 11.050 -6.170 1.00 0.00 C ATOM 1537 CD ARG A1019 -4.567 11.267 -6.427 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.044 10.606 -7.643 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.309 10.584 -8.063 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.272 11.239 -7.418 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -6.599 9.894 -9.150 1.00 0.00 N ATOM 0 H ARG A1019 0.061 11.675 -6.122 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.101 11.886 -3.474 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -3.311 11.326 -4.062 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.892 12.784 -4.939 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -2.514 11.457 -6.995 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -2.885 9.982 -6.124 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.137 10.899 -5.574 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -4.762 12.337 -6.503 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.352 10.123 -8.216 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.050 11.776 -6.579 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.231 11.204 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -5.863 9.394 -9.648 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -7.559 9.861 -9.492 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.092 9.298 -3.596 1.00 0.00 N ATOM 1556 CA ARG A1020 -0.869 7.863 -3.690 1.00 0.00 C ATOM 1557 C ARG A1020 -1.829 7.197 -2.780 1.00 0.00 C ATOM 1558 O ARG A1020 -2.426 7.845 -1.975 1.00 0.00 O ATOM 1559 CB ARG A1020 0.558 7.464 -3.305 1.00 0.00 C ATOM 1560 CG ARG A1020 0.943 7.970 -1.932 1.00 0.00 C ATOM 1561 CD ARG A1020 2.093 7.212 -1.301 1.00 0.00 C ATOM 1562 NE ARG A1020 3.378 7.352 -1.978 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.543 7.271 -1.332 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.554 7.224 -0.004 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.694 7.271 -1.994 1.00 0.00 N ATOM 0 H ARG A1020 -1.425 9.628 -2.690 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.014 7.556 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.648 6.378 -3.329 1.00 0.00 H new ATOM 0 HB3 ARG A1020 1.255 7.858 -4.044 1.00 0.00 H new ATOM 0 HG2 ARG A1020 1.212 9.024 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A1020 0.075 7.907 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.206 7.548 -0.270 1.00 0.00 H new ATOM 0 HD3 ARG A1020 1.833 6.154 -1.265 1.00 0.00 H new ATOM 0 HE ARG A1020 3.386 7.518 -2.984 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.676 7.250 0.515 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.440 7.162 0.497 1.00 0.00 H new ATOM 0 HH21 ARG A1020 5.697 7.334 -3.012 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.575 7.208 -1.484 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.001 5.932 -2.924 1.00 0.00 N ATOM 1580 CA ARG A1021 -2.945 5.250 -2.084 1.00 0.00 C ATOM 1581 C ARG A1021 -2.443 3.869 -1.776 1.00 0.00 C ATOM 1582 O ARG A1021 -1.764 3.267 -2.606 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.292 5.201 -2.782 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.223 4.570 -4.156 1.00 0.00 C ATOM 1585 CD ARG A1021 -5.577 4.395 -4.763 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.432 3.821 -6.084 1.00 0.00 N ATOM 1587 CZ ARG A1021 -6.307 2.956 -6.621 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -7.455 2.712 -5.992 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -6.042 2.347 -7.773 1.00 0.00 N ATOM 0 H ARG A1021 -1.513 5.347 -3.602 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.062 5.785 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -4.994 4.640 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -4.685 6.214 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.611 5.192 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -3.730 3.600 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.189 3.747 -4.136 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.089 5.355 -4.824 1.00 0.00 H new ATOM 0 HE ARG A1021 -4.619 4.089 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -7.663 3.181 -5.110 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.126 2.056 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -5.165 2.535 -8.259 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -6.715 1.692 -8.170 1.00 0.00 H new ATOM 1603 N ARG A1022 -2.770 3.372 -0.606 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.345 2.070 -0.207 1.00 0.00 C ATOM 1605 C ARG A1022 -3.373 1.048 -0.649 1.00 0.00 C ATOM 1606 O ARG A1022 -4.553 1.171 -0.326 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.199 2.015 1.308 1.00 0.00 C ATOM 1608 CG ARG A1022 -1.902 0.627 1.839 1.00 0.00 C ATOM 1609 CD ARG A1022 -1.873 0.623 3.350 1.00 0.00 C ATOM 1610 NE ARG A1022 -0.794 1.438 3.857 1.00 0.00 N ATOM 1611 CZ ARG A1022 -0.748 1.946 5.103 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -1.821 1.945 5.876 1.00 0.00 N ATOM 1613 NH2 ARG A1022 0.351 2.518 5.571 1.00 0.00 N ATOM 0 H ARG A1022 -3.336 3.864 0.086 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.383 1.849 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.399 2.690 1.612 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.117 2.382 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -2.659 -0.072 1.484 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -0.943 0.283 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -2.823 0.994 3.735 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -1.760 -0.399 3.711 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.016 1.642 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -2.698 1.556 5.530 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -1.771 2.333 6.818 1.00 0.00 H new ATOM 0 HH21 ARG A1022 1.183 2.580 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A1022 0.365 2.897 6.518 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.941 0.087 -1.427 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.747 -1.050 -1.706 1.00 0.00 C ATOM 1629 C LEU A1023 -3.235 -2.096 -0.745 1.00 0.00 C ATOM 1630 O LEU A1023 -2.028 -2.319 -0.647 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.625 -1.491 -3.169 1.00 0.00 C ATOM 1632 CG LEU A1023 -4.037 -0.434 -4.209 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.696 -0.900 -5.612 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.526 -0.136 -4.126 1.00 0.00 C ATOM 0 H LEU A1023 -2.025 0.081 -1.877 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.811 -0.855 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.592 -1.781 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -4.238 -2.380 -3.316 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.481 0.477 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.996 -0.138 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.622 -1.069 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.225 -1.829 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.789 0.614 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -6.091 -1.049 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.767 0.241 -3.132 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.127 -2.646 0.020 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.773 -3.561 1.072 1.00 0.00 C ATOM 1648 C VAL A1024 -4.124 -4.957 0.706 1.00 0.00 C ATOM 1649 O VAL A1024 -5.041 -5.195 -0.089 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.464 -3.264 2.423 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -3.769 -2.145 3.150 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -5.943 -2.937 2.232 1.00 0.00 C ATOM 0 H VAL A1024 -5.129 -2.474 -0.065 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.697 -3.432 1.192 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.393 -4.166 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.275 -1.957 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -2.733 -2.424 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -3.795 -1.243 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.399 -2.733 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.042 -2.060 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.446 -3.784 1.766 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.355 -5.850 1.261 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.696 -7.253 1.195 1.00 0.00 C ATOM 1664 C ARG A1025 -3.018 -8.066 2.270 1.00 0.00 C ATOM 1665 O ARG A1025 -1.826 -8.286 2.221 1.00 0.00 O ATOM 1666 CB ARG A1025 -3.420 -7.852 -0.165 1.00 0.00 C ATOM 1667 CG ARG A1025 -4.419 -8.927 -0.511 1.00 0.00 C ATOM 1668 CD ARG A1025 -5.839 -8.346 -0.619 1.00 0.00 C ATOM 1669 NE ARG A1025 -6.432 -7.999 0.694 1.00 0.00 N ATOM 1670 CZ ARG A1025 -7.383 -7.094 0.967 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -8.021 -6.438 0.015 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -7.740 -6.924 2.232 1.00 0.00 N ATOM 0 H ARG A1025 -2.492 -5.640 1.762 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.771 -7.297 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -3.451 -7.068 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -2.414 -8.271 -0.181 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -4.141 -9.396 -1.455 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -4.398 -9.707 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.812 -7.454 -1.245 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -6.482 -9.069 -1.121 1.00 0.00 H new ATOM 0 HE ARG A1025 -6.069 -8.516 1.495 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -7.796 -6.613 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -8.739 -5.756 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -7.294 -7.474 2.966 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -8.461 -6.243 2.471 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.791 -8.541 3.225 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.231 -9.253 4.350 1.00 0.00 C ATOM 1688 C LYS A1026 -2.889 -10.685 3.927 1.00 0.00 C ATOM 1689 O LYS A1026 -3.582 -11.297 3.107 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.219 -9.133 5.534 1.00 0.00 C ATOM 1691 CG LYS A1026 -3.724 -9.558 6.916 1.00 0.00 C ATOM 1692 CD LYS A1026 -3.669 -11.059 7.085 1.00 0.00 C ATOM 1693 CE LYS A1026 -5.028 -11.694 6.847 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.073 -11.193 7.771 1.00 0.00 N ATOM 0 H LYS A1026 -4.806 -8.446 3.243 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.288 -8.825 4.690 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.542 -8.094 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.102 -9.727 5.296 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -2.731 -9.142 7.084 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.380 -9.135 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -2.943 -11.479 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.324 -11.301 8.090 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -5.337 -11.502 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -4.942 -12.775 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -6.940 -11.756 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -5.738 -11.275 8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.276 -10.196 7.557 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.837 -11.219 4.512 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.277 -12.486 4.099 1.00 0.00 C ATOM 1710 C ARG A1027 -0.983 -13.275 5.341 1.00 0.00 C ATOM 1711 O ARG A1027 -0.642 -12.701 6.354 1.00 0.00 O ATOM 1712 CB ARG A1027 -0.018 -12.262 3.245 1.00 0.00 C ATOM 1713 CG ARG A1027 0.957 -11.262 3.842 1.00 0.00 C ATOM 1714 CD ARG A1027 2.041 -10.854 2.858 1.00 0.00 C ATOM 1715 NE ARG A1027 3.063 -11.870 2.646 1.00 0.00 N ATOM 1716 CZ ARG A1027 4.344 -11.554 2.411 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.685 -10.295 2.154 1.00 0.00 N ATOM 1718 NH2 ARG A1027 5.281 -12.487 2.403 1.00 0.00 N ATOM 0 H ARG A1027 -1.345 -10.783 5.292 1.00 0.00 H new ATOM 0 HA ARG A1027 -1.978 -13.041 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.492 -13.216 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.318 -11.917 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.412 -10.376 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.419 -11.694 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.577 -10.615 1.901 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.519 -9.942 3.217 1.00 0.00 H new ATOM 0 HE ARG A1027 2.795 -12.854 2.677 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.971 -9.567 2.135 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.661 -10.057 1.976 1.00 0.00 H new ATOM 0 HH21 ARG A1027 5.033 -13.461 2.577 1.00 0.00 H new ATOM 0 HH22 ARG A1027 6.252 -12.233 2.223 1.00 0.00 H new ATOM 1732 N LYS A1028 -1.114 -14.563 5.259 1.00 0.00 N ATOM 1733 CA LYS A1028 -1.018 -15.403 6.424 1.00 0.00 C ATOM 1734 C LYS A1028 -0.058 -16.545 6.178 1.00 0.00 C ATOM 1735 O LYS A1028 -0.102 -17.176 5.166 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.414 -15.892 6.798 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.452 -16.920 7.906 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.874 -17.202 8.312 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.497 -16.044 9.081 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.947 -16.244 9.320 1.00 0.00 N ATOM 0 H LYS A1028 -1.290 -15.065 4.389 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.618 -14.835 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -3.016 -15.034 7.097 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.884 -16.317 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -1.973 -17.841 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -1.887 -16.559 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.470 -17.406 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.902 -18.101 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -3.986 -15.928 10.037 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.347 -15.119 8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.306 -15.484 9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.454 -16.227 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -6.099 -17.162 9.784 1.00 0.00 H new ATOM 1754 N LYS A1029 0.778 -16.817 7.141 1.00 0.00 N ATOM 1755 CA LYS A1029 1.812 -17.840 7.021 1.00 0.00 C ATOM 1756 C LYS A1029 1.191 -19.168 7.401 1.00 0.00 C ATOM 1757 O LYS A1029 1.686 -20.252 7.115 1.00 0.00 O ATOM 1758 CB LYS A1029 2.923 -17.515 8.027 1.00 0.00 C ATOM 1759 CG LYS A1029 4.139 -18.416 7.978 1.00 0.00 C ATOM 1760 CD LYS A1029 5.102 -18.119 9.114 1.00 0.00 C ATOM 1761 CE LYS A1029 5.511 -16.663 9.154 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.462 -16.376 10.254 1.00 0.00 N ATOM 0 H LYS A1029 0.772 -16.339 8.042 1.00 0.00 H new ATOM 0 HA LYS A1029 2.215 -17.877 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.248 -16.488 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.502 -17.558 9.031 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.823 -19.458 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.650 -18.287 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A1029 4.637 -18.390 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A1029 5.991 -18.741 9.006 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.967 -16.390 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.623 -16.042 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 6.713 -15.367 10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.020 -16.611 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.321 -16.948 10.128 1.00 0.00 H new ATOM 1776 N ASP A1030 0.123 -19.002 8.154 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.620 -20.061 8.851 1.00 0.00 C ATOM 1778 C ASP A1030 0.322 -20.836 9.790 1.00 0.00 C ATOM 1779 O ASP A1030 -0.025 -21.875 10.342 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.335 -20.998 7.866 1.00 0.00 C ATOM 1781 CG ASP A1030 -2.436 -21.808 8.528 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -3.516 -21.245 8.789 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -2.244 -23.009 8.812 1.00 0.00 O ATOM 0 H ASP A1030 -0.281 -18.079 8.312 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.398 -19.592 9.454 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -1.760 -20.409 7.053 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -0.607 -21.676 7.421 1.00 0.00 H new ATOM 1788 N LEU A1031 1.512 -20.259 9.983 1.00 0.00 N ATOM 1789 CA LEU A1031 2.615 -20.782 10.788 1.00 0.00 C ATOM 1790 C LEU A1031 3.248 -22.029 10.143 1.00 0.00 C ATOM 1791 O LEU A1031 4.450 -22.053 9.866 1.00 0.00 O ATOM 1792 CB LEU A1031 2.172 -21.063 12.230 1.00 0.00 C ATOM 1793 CG LEU A1031 3.304 -21.331 13.212 1.00 0.00 C ATOM 1794 CD1 LEU A1031 4.145 -20.079 13.414 1.00 0.00 C ATOM 1795 CD2 LEU A1031 2.757 -21.841 14.535 1.00 0.00 C ATOM 0 H LEU A1031 1.742 -19.362 9.556 1.00 0.00 H new ATOM 0 HA LEU A1031 3.383 -20.010 10.824 1.00 0.00 H new ATOM 0 HB2 LEU A1031 1.594 -20.211 12.589 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.503 -21.923 12.227 1.00 0.00 H new ATOM 0 HG LEU A1031 3.947 -22.105 12.794 1.00 0.00 H new ATOM 0 HD11 LEU A1031 4.949 -20.291 14.119 1.00 0.00 H new ATOM 0 HD12 LEU A1031 4.571 -19.769 12.460 1.00 0.00 H new ATOM 0 HD13 LEU A1031 3.518 -19.279 13.808 1.00 0.00 H new ATOM 0 HD21 LEU A1031 3.582 -22.026 15.223 1.00 0.00 H new ATOM 0 HD22 LEU A1031 2.088 -21.095 14.964 1.00 0.00 H new ATOM 0 HD23 LEU A1031 2.208 -22.768 14.369 1.00 0.00 H new ATOM 1807 N THR A1032 2.414 -23.004 9.812 1.00 0.00 N ATOM 1808 CA THR A1032 2.844 -24.304 9.310 1.00 0.00 C ATOM 1809 C THR A1032 3.450 -24.251 7.897 1.00 0.00 C ATOM 1810 O THR A1032 4.021 -25.247 7.436 1.00 0.00 O ATOM 1811 CB THR A1032 1.669 -25.317 9.358 1.00 0.00 C ATOM 1812 OG1 THR A1032 2.077 -26.616 8.900 1.00 0.00 O ATOM 1813 CG2 THR A1032 0.497 -24.828 8.520 1.00 0.00 C ATOM 0 H THR A1032 1.401 -22.914 9.886 1.00 0.00 H new ATOM 0 HA THR A1032 3.644 -24.636 9.971 1.00 0.00 H new ATOM 0 HB THR A1032 1.356 -25.398 10.399 1.00 0.00 H new ATOM 0 HG1 THR A1032 2.910 -26.536 8.390 1.00 0.00 H new ATOM 0 HG21 THR A1032 -0.314 -25.555 8.569 1.00 0.00 H new ATOM 0 HG22 THR A1032 0.149 -23.869 8.905 1.00 0.00 H new ATOM 0 HG23 THR A1032 0.815 -24.709 7.484 1.00 0.00 H new ATOM 1821 N GLN A1033 3.343 -23.123 7.203 1.00 0.00 N ATOM 1822 CA GLN A1033 3.959 -23.022 5.884 1.00 0.00 C ATOM 1823 C GLN A1033 5.464 -22.796 6.019 1.00 0.00 C ATOM 1824 O GLN A1033 6.215 -22.879 5.046 1.00 0.00 O ATOM 1825 CB GLN A1033 3.326 -21.925 5.024 1.00 0.00 C ATOM 1826 CG GLN A1033 1.861 -22.160 4.673 1.00 0.00 C ATOM 1827 CD GLN A1033 1.329 -21.112 3.709 1.00 0.00 C ATOM 1828 OE1 GLN A1033 2.074 -20.579 2.897 1.00 0.00 O ATOM 1829 NE2 GLN A1033 0.047 -20.820 3.768 1.00 0.00 N ATOM 0 H GLN A1033 2.851 -22.288 7.519 1.00 0.00 H new ATOM 0 HA GLN A1033 3.781 -23.968 5.372 1.00 0.00 H new ATOM 0 HB2 GLN A1033 3.412 -20.974 5.550 1.00 0.00 H new ATOM 0 HB3 GLN A1033 3.897 -21.831 4.100 1.00 0.00 H new ATOM 0 HG2 GLN A1033 1.749 -23.150 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A1033 1.264 -22.150 5.585 1.00 0.00 H new ATOM 0 HE21 GLN A1033 -0.550 -21.280 4.455 1.00 0.00 H new ATOM 0 HE22 GLN A1033 -0.350 -20.133 3.126 1.00 0.00 H new