USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 939 SER OG : rot 32:sc= 0.34 USER MOD Set 1.2: A 998 THR OG1 : rot -19:sc= -0.931! USER MOD Set 1.3: A1017 THR OG1 : rot 180:sc= 0.0293 USER MOD Set 1.4: A1018 HIS :FLIP no HD1:sc= 0 F(o=-2.1,f=-0.56) USER MOD Set 2.1: A 937 ASN : amide:sc= 1.83 K(o=2.9,f=-6.5!) USER MOD Set 2.2: A 954 THR OG1 : rot 88:sc= 1.04 USER MOD Set 3.1: A 928 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 927 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.3!) USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot 10:sc= 1.28 USER MOD Single : A 936 GLN : amide:sc= -3.05! C(o=-3.1!,f=-6.2!) USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 952 THR OG1 : rot 180:sc= 0 USER MOD Single : A 953 TYR OH : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= 1.22 K(o=1.2,f=-0.17) USER MOD Single : A 960 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.734) USER MOD Single : A 963 SER OG : rot -79:sc= 0.829 USER MOD Single : A 965 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0 USER MOD Single : A 969 CYS SG : rot 128:sc= 0.0788 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 995 TYR OH : rot 165:sc= 0.27 USER MOD Single : A1003 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.13) USER MOD Single : A1004 LYS NZ :NH3+ 152:sc= -0.137 (180deg=-1.26) USER MOD Single : A1006 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0288) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ 167:sc= 1.26 (180deg=0.829) USER MOD Single : A1014 MET CE :methyl 159:sc= -0.127 (180deg=-0.703) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS :FLIP no HD1:sc= -5.94 F(o=-7.7!,f=-5.9) USER MOD Single : A1026 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0.701) USER MOD Single : A1028 LYS NZ :NH3+ -176:sc= 1.13 (180deg=1.06) USER MOD Single : A1032 THR OG1 : rot 180:sc= 0 USER MOD Single : A1033 GLN :FLIP amide:sc= -0.827 F(o=-3.1!,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -1.677 -18.397 13.715 1.00 0.00 N ATOM 122 CA HIS A 927 -1.210 -17.815 12.475 1.00 0.00 C ATOM 123 C HIS A 927 -0.524 -16.536 12.797 1.00 0.00 C ATOM 124 O HIS A 927 -0.903 -15.826 13.725 1.00 0.00 O ATOM 125 CB HIS A 927 -2.282 -17.422 11.441 1.00 0.00 C ATOM 126 CG HIS A 927 -3.649 -18.000 11.622 1.00 0.00 C ATOM 127 ND1 HIS A 927 -4.115 -19.126 10.973 1.00 0.00 N ATOM 128 CD2 HIS A 927 -4.674 -17.558 12.374 1.00 0.00 C ATOM 129 CE1 HIS A 927 -5.366 -19.341 11.332 1.00 0.00 C ATOM 130 NE2 HIS A 927 -5.730 -18.407 12.179 1.00 0.00 N ATOM 0 HA HIS A 927 -0.597 -18.600 12.032 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -2.371 -16.336 11.443 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -1.921 -17.710 10.454 1.00 0.00 H new ATOM 0 HD1 HIS A 927 -3.579 -19.699 10.321 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.665 -16.690 13.016 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -5.989 -20.153 10.986 1.00 0.00 H new ATOM 139 N THR A 928 0.518 -16.289 12.085 1.00 0.00 N ATOM 140 CA THR A 928 1.062 -14.990 12.038 1.00 0.00 C ATOM 141 C THR A 928 0.582 -14.466 10.715 1.00 0.00 C ATOM 142 O THR A 928 0.886 -15.057 9.685 1.00 0.00 O ATOM 143 CB THR A 928 2.584 -14.991 12.023 1.00 0.00 C ATOM 144 OG1 THR A 928 3.077 -16.269 12.455 1.00 0.00 O ATOM 145 CG2 THR A 928 3.107 -13.918 12.956 1.00 0.00 C ATOM 0 H THR A 928 1.012 -16.982 11.523 1.00 0.00 H new ATOM 0 HA THR A 928 0.763 -14.407 12.909 1.00 0.00 H new ATOM 0 HB THR A 928 2.926 -14.793 11.007 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.057 -16.263 12.441 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.197 -13.923 12.942 1.00 0.00 H new ATOM 0 HG22 THR A 928 2.744 -12.943 12.629 1.00 0.00 H new ATOM 0 HG23 THR A 928 2.757 -14.115 13.969 1.00 0.00 H new ATOM 153 N GLU A 929 -0.210 -13.450 10.724 1.00 0.00 N ATOM 154 CA GLU A 929 -0.709 -12.890 9.506 1.00 0.00 C ATOM 155 C GLU A 929 -0.374 -11.401 9.550 1.00 0.00 C ATOM 156 O GLU A 929 -0.544 -10.766 10.596 1.00 0.00 O ATOM 157 CB GLU A 929 -2.226 -13.112 9.340 1.00 0.00 C ATOM 158 CG GLU A 929 -3.091 -12.522 10.413 1.00 0.00 C ATOM 159 CD GLU A 929 -2.973 -13.246 11.734 1.00 0.00 C ATOM 160 OE1 GLU A 929 -3.524 -14.359 11.854 1.00 0.00 O ATOM 161 OE2 GLU A 929 -2.306 -12.720 12.644 1.00 0.00 O ATOM 0 H GLU A 929 -0.532 -12.982 11.571 1.00 0.00 H new ATOM 0 HA GLU A 929 -0.248 -13.378 8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.533 -12.694 8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -2.415 -14.185 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.822 -11.475 10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -4.131 -12.543 10.086 1.00 0.00 H new ATOM 168 N PHE A 930 0.178 -10.853 8.501 1.00 0.00 N ATOM 169 CA PHE A 930 0.525 -9.453 8.467 1.00 0.00 C ATOM 170 C PHE A 930 -0.154 -8.831 7.263 1.00 0.00 C ATOM 171 O PHE A 930 -0.287 -9.476 6.228 1.00 0.00 O ATOM 172 CB PHE A 930 2.056 -9.322 8.382 1.00 0.00 C ATOM 173 CG PHE A 930 2.584 -7.913 8.357 1.00 0.00 C ATOM 174 CD1 PHE A 930 2.607 -7.143 9.508 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.069 -7.367 7.181 1.00 0.00 C ATOM 176 CE1 PHE A 930 3.103 -5.852 9.484 1.00 0.00 C ATOM 177 CE2 PHE A 930 3.568 -6.078 7.151 1.00 0.00 C ATOM 178 CZ PHE A 930 3.584 -5.320 8.305 1.00 0.00 C ATOM 0 H PHE A 930 0.401 -11.362 7.645 1.00 0.00 H new ATOM 0 HA PHE A 930 0.191 -8.936 9.367 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.496 -9.841 9.233 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.398 -9.836 7.484 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.234 -7.555 10.434 1.00 0.00 H new ATOM 0 HD2 PHE A 930 3.057 -7.955 6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 930 3.114 -5.261 10.388 1.00 0.00 H new ATOM 0 HE2 PHE A 930 3.944 -5.665 6.227 1.00 0.00 H new ATOM 0 HZ PHE A 930 3.972 -4.312 8.285 1.00 0.00 H new ATOM 188 N THR A 931 -0.678 -7.644 7.425 1.00 0.00 N ATOM 189 CA THR A 931 -1.262 -6.938 6.311 1.00 0.00 C ATOM 190 C THR A 931 -0.154 -6.408 5.403 1.00 0.00 C ATOM 191 O THR A 931 0.706 -5.640 5.840 1.00 0.00 O ATOM 192 CB THR A 931 -2.135 -5.774 6.807 1.00 0.00 C ATOM 193 OG1 THR A 931 -3.031 -6.256 7.820 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.950 -5.176 5.669 1.00 0.00 C ATOM 0 H THR A 931 -0.713 -7.146 8.314 1.00 0.00 H new ATOM 0 HA THR A 931 -1.893 -7.627 5.750 1.00 0.00 H new ATOM 0 HB THR A 931 -1.481 -5.000 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.589 -5.517 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.558 -4.355 6.049 1.00 0.00 H new ATOM 0 HG22 THR A 931 -2.277 -4.802 4.897 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.599 -5.942 5.245 1.00 0.00 H new ATOM 202 N ASP A 932 -0.203 -6.787 4.143 1.00 0.00 N ATOM 203 CA ASP A 932 0.816 -6.347 3.192 1.00 0.00 C ATOM 204 C ASP A 932 0.199 -5.167 2.473 1.00 0.00 C ATOM 205 O ASP A 932 -1.030 -5.102 2.367 1.00 0.00 O ATOM 206 CB ASP A 932 1.176 -7.444 2.181 1.00 0.00 C ATOM 207 CG ASP A 932 2.476 -7.195 1.424 1.00 0.00 C ATOM 208 OD1 ASP A 932 2.854 -6.033 1.158 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.171 -8.173 1.127 1.00 0.00 O ATOM 0 H ASP A 932 -0.925 -7.391 3.750 1.00 0.00 H new ATOM 0 HA ASP A 932 1.743 -6.095 3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.251 -8.396 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.363 -7.540 1.462 1.00 0.00 H new ATOM 214 N GLU A 933 0.986 -4.227 2.024 1.00 0.00 N ATOM 215 CA GLU A 933 0.436 -3.049 1.417 1.00 0.00 C ATOM 216 C GLU A 933 1.313 -2.573 0.254 1.00 0.00 C ATOM 217 O GLU A 933 2.535 -2.743 0.264 1.00 0.00 O ATOM 218 CB GLU A 933 0.314 -1.980 2.497 1.00 0.00 C ATOM 219 CG GLU A 933 1.649 -1.325 2.868 1.00 0.00 C ATOM 220 CD GLU A 933 1.607 -0.495 4.128 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.791 -1.069 5.221 1.00 0.00 O ATOM 222 OE2 GLU A 933 1.442 0.741 4.052 1.00 0.00 O ATOM 0 H GLU A 933 2.005 -4.255 2.067 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.547 -3.263 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 933 -0.377 -1.209 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.122 -2.427 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.402 -2.104 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 933 1.972 -0.692 2.041 1.00 0.00 H new ATOM 229 N VAL A 934 0.679 -2.010 -0.751 1.00 0.00 N ATOM 230 CA VAL A 934 1.363 -1.419 -1.888 1.00 0.00 C ATOM 231 C VAL A 934 0.675 -0.096 -2.148 1.00 0.00 C ATOM 232 O VAL A 934 -0.318 0.196 -1.490 1.00 0.00 O ATOM 233 CB VAL A 934 1.322 -2.350 -3.132 1.00 0.00 C ATOM 234 CG1 VAL A 934 -0.087 -2.516 -3.681 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.284 -1.921 -4.237 1.00 0.00 C ATOM 0 H VAL A 934 -0.338 -1.947 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 934 2.422 -1.272 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 934 1.662 -3.322 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 934 -0.064 -3.175 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -0.728 -2.950 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 934 -0.480 -1.543 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.206 -2.612 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.029 -0.915 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.305 -1.929 -3.854 1.00 0.00 H new ATOM 245 N TYR A 935 1.166 0.697 -3.064 1.00 0.00 N ATOM 246 CA TYR A 935 0.612 2.002 -3.286 1.00 0.00 C ATOM 247 C TYR A 935 0.456 2.267 -4.765 1.00 0.00 C ATOM 248 O TYR A 935 1.242 1.788 -5.574 1.00 0.00 O ATOM 249 CB TYR A 935 1.475 3.062 -2.600 1.00 0.00 C ATOM 250 CG TYR A 935 1.296 3.080 -1.090 1.00 0.00 C ATOM 251 CD1 TYR A 935 1.957 2.173 -0.269 1.00 0.00 C ATOM 252 CD2 TYR A 935 0.414 3.968 -0.496 1.00 0.00 C ATOM 253 CE1 TYR A 935 1.730 2.145 1.092 1.00 0.00 C ATOM 254 CE2 TYR A 935 0.196 3.958 0.865 1.00 0.00 C ATOM 255 CZ TYR A 935 0.847 3.039 1.654 1.00 0.00 C ATOM 256 OH TYR A 935 0.603 3.005 3.009 1.00 0.00 O ATOM 0 H TYR A 935 1.952 0.459 -3.669 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.383 2.050 -2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.523 2.878 -2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.225 4.044 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 935 2.660 1.478 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 935 -0.113 4.682 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 935 2.243 1.425 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 935 -0.484 4.669 1.310 1.00 0.00 H new ATOM 0 HH TYR A 935 1.245 2.405 3.442 1.00 0.00 H new ATOM 266 N GLN A 936 -0.583 3.009 -5.083 1.00 0.00 N ATOM 267 CA GLN A 936 -0.920 3.390 -6.439 1.00 0.00 C ATOM 268 C GLN A 936 -0.733 4.877 -6.566 1.00 0.00 C ATOM 269 O GLN A 936 -1.409 5.635 -5.878 1.00 0.00 O ATOM 270 CB GLN A 936 -2.370 3.098 -6.760 1.00 0.00 C ATOM 271 CG GLN A 936 -2.744 1.646 -6.861 1.00 0.00 C ATOM 272 CD GLN A 936 -4.209 1.523 -7.182 1.00 0.00 C ATOM 273 OE1 GLN A 936 -5.045 1.398 -6.307 1.00 0.00 O ATOM 274 NE2 GLN A 936 -4.533 1.689 -8.432 1.00 0.00 N ATOM 0 H GLN A 936 -1.234 3.374 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 936 -0.282 2.825 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -2.991 3.560 -5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.617 3.583 -7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -2.150 1.160 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -2.523 1.137 -5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.804 1.790 -9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -5.515 1.718 -8.705 1.00 0.00 H new ATOM 283 N ASN A 937 0.179 5.287 -7.400 1.00 0.00 N ATOM 284 CA ASN A 937 0.479 6.695 -7.559 1.00 0.00 C ATOM 285 C ASN A 937 -0.145 7.278 -8.809 1.00 0.00 C ATOM 286 O ASN A 937 -0.139 6.673 -9.886 1.00 0.00 O ATOM 287 CB ASN A 937 1.986 6.932 -7.618 1.00 0.00 C ATOM 288 CG ASN A 937 2.710 6.492 -6.374 1.00 0.00 C ATOM 289 OD1 ASN A 937 2.944 7.274 -5.449 1.00 0.00 O ATOM 290 ND2 ASN A 937 3.054 5.232 -6.339 1.00 0.00 N ATOM 0 H ASN A 937 0.736 4.667 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 937 0.054 7.194 -6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.397 6.399 -8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.173 7.993 -7.782 1.00 0.00 H new ATOM 0 HD21 ASN A 937 3.537 4.858 -5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 937 2.839 4.623 -7.128 1.00 0.00 H new ATOM 297 N GLU A 938 -0.673 8.456 -8.620 1.00 0.00 N ATOM 298 CA GLU A 938 -1.163 9.325 -9.668 1.00 0.00 C ATOM 299 C GLU A 938 -0.716 10.730 -9.311 1.00 0.00 C ATOM 300 O GLU A 938 -0.522 11.055 -8.136 1.00 0.00 O ATOM 301 CB GLU A 938 -2.685 9.211 -9.874 1.00 0.00 C ATOM 302 CG GLU A 938 -3.062 8.021 -10.752 1.00 0.00 C ATOM 303 CD GLU A 938 -4.541 7.914 -11.057 1.00 0.00 C ATOM 304 OE1 GLU A 938 -5.080 8.778 -11.778 1.00 0.00 O ATOM 305 OE2 GLU A 938 -5.191 6.957 -10.583 1.00 0.00 O ATOM 0 H GLU A 938 -0.781 8.860 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 938 -0.749 9.031 -10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.175 9.114 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -3.058 10.128 -10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -2.514 8.090 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.737 7.104 -10.260 1.00 0.00 H new ATOM 312 N SER A 939 -0.508 11.536 -10.306 1.00 0.00 N ATOM 313 CA SER A 939 0.125 12.813 -10.126 1.00 0.00 C ATOM 314 C SER A 939 -0.482 13.832 -11.065 1.00 0.00 C ATOM 315 O SER A 939 -1.035 13.474 -12.111 1.00 0.00 O ATOM 316 CB SER A 939 1.634 12.640 -10.375 1.00 0.00 C ATOM 317 OG SER A 939 2.361 13.845 -10.218 1.00 0.00 O ATOM 0 H SER A 939 -0.772 11.330 -11.269 1.00 0.00 H new ATOM 0 HA SER A 939 -0.030 13.179 -9.111 1.00 0.00 H new ATOM 0 HB2 SER A 939 2.027 11.892 -9.686 1.00 0.00 H new ATOM 0 HB3 SER A 939 1.789 12.257 -11.384 1.00 0.00 H new ATOM 0 HG SER A 939 1.931 14.400 -9.534 1.00 0.00 H new ATOM 323 N ARG A 940 -0.386 15.087 -10.675 1.00 0.00 N ATOM 324 CA ARG A 940 -0.889 16.189 -11.439 1.00 0.00 C ATOM 325 C ARG A 940 0.079 17.344 -11.317 1.00 0.00 C ATOM 326 O ARG A 940 0.868 17.417 -10.372 1.00 0.00 O ATOM 327 CB ARG A 940 -2.260 16.625 -10.933 1.00 0.00 C ATOM 328 CG ARG A 940 -2.305 17.025 -9.468 1.00 0.00 C ATOM 329 CD ARG A 940 -3.698 17.467 -9.075 1.00 0.00 C ATOM 330 NE ARG A 940 -3.729 18.041 -7.742 1.00 0.00 N ATOM 331 CZ ARG A 940 -4.825 18.445 -7.114 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.020 18.366 -7.692 1.00 0.00 N ATOM 333 NH2 ARG A 940 -4.717 18.921 -5.890 1.00 0.00 N ATOM 0 H ARG A 940 0.055 15.365 -9.798 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.991 15.881 -12.480 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.602 17.467 -11.535 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.966 15.810 -11.094 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -1.997 16.184 -8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.597 17.833 -9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -4.062 18.200 -9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.375 16.614 -9.119 1.00 0.00 H new ATOM 0 HE ARG A 940 -2.840 18.141 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -6.106 17.989 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -6.851 18.682 -7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -3.802 18.974 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -5.548 19.237 -5.390 1.00 0.00 H new ATOM 347 N TYR A 941 0.024 18.225 -12.278 1.00 0.00 N ATOM 348 CA TYR A 941 0.836 19.429 -12.270 1.00 0.00 C ATOM 349 C TYR A 941 0.219 20.403 -11.274 1.00 0.00 C ATOM 350 O TYR A 941 -0.871 20.122 -10.748 1.00 0.00 O ATOM 351 CB TYR A 941 0.818 20.059 -13.666 1.00 0.00 C ATOM 352 CG TYR A 941 1.008 19.056 -14.780 1.00 0.00 C ATOM 353 CD1 TYR A 941 2.274 18.609 -15.126 1.00 0.00 C ATOM 354 CD2 TYR A 941 -0.083 18.541 -15.464 1.00 0.00 C ATOM 355 CE1 TYR A 941 2.446 17.678 -16.129 1.00 0.00 C ATOM 356 CE2 TYR A 941 0.080 17.605 -16.465 1.00 0.00 C ATOM 357 CZ TYR A 941 1.348 17.177 -16.795 1.00 0.00 C ATOM 358 OH TYR A 941 1.518 16.236 -17.789 1.00 0.00 O ATOM 0 H TYR A 941 -0.583 18.136 -13.093 1.00 0.00 H new ATOM 0 HA TYR A 941 1.864 19.196 -11.993 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.130 20.576 -13.811 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.604 20.812 -13.727 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.137 18.995 -14.603 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -1.077 18.878 -15.209 1.00 0.00 H new ATOM 0 HE1 TYR A 941 3.438 17.342 -16.392 1.00 0.00 H new ATOM 0 HE2 TYR A 941 -0.780 17.211 -16.986 1.00 0.00 H new ATOM 0 HH TYR A 941 0.644 15.987 -18.156 1.00 0.00 H new ATOM 368 N PRO A 942 0.873 21.546 -10.977 1.00 0.00 N ATOM 369 CA PRO A 942 0.272 22.633 -10.167 1.00 0.00 C ATOM 370 C PRO A 942 -0.909 23.313 -10.887 1.00 0.00 C ATOM 371 O PRO A 942 -1.024 24.542 -10.921 1.00 0.00 O ATOM 372 CB PRO A 942 1.439 23.616 -10.006 1.00 0.00 C ATOM 373 CG PRO A 942 2.651 22.776 -10.195 1.00 0.00 C ATOM 374 CD PRO A 942 2.280 21.853 -11.308 1.00 0.00 C ATOM 0 HA PRO A 942 -0.142 22.272 -9.226 1.00 0.00 H new ATOM 0 HB2 PRO A 942 1.390 24.417 -10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 942 1.430 24.087 -9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 942 3.520 23.381 -10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 942 2.902 22.227 -9.287 1.00 0.00 H new ATOM 0 HD2 PRO A 942 2.378 22.327 -12.285 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.903 20.958 -11.324 1.00 0.00 H new ATOM 382 N GLY A 943 -1.800 22.485 -11.389 1.00 0.00 N ATOM 383 CA GLY A 943 -2.942 22.907 -12.153 1.00 0.00 C ATOM 384 C GLY A 943 -3.421 21.788 -13.055 1.00 0.00 C ATOM 385 O GLY A 943 -3.841 22.031 -14.185 1.00 0.00 O ATOM 0 H GLY A 943 -1.743 21.473 -11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -3.745 23.209 -11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -2.683 23.780 -12.753 1.00 0.00 H new ATOM 389 N GLY A 944 -3.353 20.554 -12.563 1.00 0.00 N ATOM 390 CA GLY A 944 -3.772 19.430 -13.367 1.00 0.00 C ATOM 391 C GLY A 944 -4.668 18.530 -12.571 1.00 0.00 C ATOM 392 O GLY A 944 -5.037 18.875 -11.449 1.00 0.00 O ATOM 0 H GLY A 944 -3.017 20.318 -11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.296 19.784 -14.255 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.900 18.875 -13.712 1.00 0.00 H new ATOM 396 N ASP A 945 -5.023 17.395 -13.125 1.00 0.00 N ATOM 397 CA ASP A 945 -5.796 16.399 -12.408 1.00 0.00 C ATOM 398 C ASP A 945 -4.948 15.141 -12.378 1.00 0.00 C ATOM 399 O ASP A 945 -3.962 15.060 -13.113 1.00 0.00 O ATOM 400 CB ASP A 945 -7.159 16.133 -13.067 1.00 0.00 C ATOM 401 CG ASP A 945 -7.084 15.397 -14.389 1.00 0.00 C ATOM 402 OD1 ASP A 945 -6.748 16.021 -15.418 1.00 0.00 O ATOM 403 OD2 ASP A 945 -7.408 14.191 -14.426 1.00 0.00 O ATOM 0 H ASP A 945 -4.787 17.133 -14.082 1.00 0.00 H new ATOM 0 HA ASP A 945 -6.024 16.750 -11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -7.775 15.555 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -7.665 17.086 -13.224 1.00 0.00 H new ATOM 408 N TRP A 946 -5.294 14.178 -11.549 1.00 0.00 N ATOM 409 CA TRP A 946 -4.455 13.024 -11.360 1.00 0.00 C ATOM 410 C TRP A 946 -4.515 12.128 -12.574 1.00 0.00 C ATOM 411 O TRP A 946 -5.592 11.738 -13.025 1.00 0.00 O ATOM 412 CB TRP A 946 -4.885 12.260 -10.114 1.00 0.00 C ATOM 413 CG TRP A 946 -5.097 13.149 -8.950 1.00 0.00 C ATOM 414 CD1 TRP A 946 -6.279 13.623 -8.484 1.00 0.00 C ATOM 415 CD2 TRP A 946 -4.084 13.695 -8.119 1.00 0.00 C ATOM 416 NE1 TRP A 946 -6.052 14.438 -7.414 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.717 14.490 -7.157 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.703 13.583 -8.097 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -4.015 15.175 -6.174 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -2.006 14.260 -7.131 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.658 15.047 -6.175 1.00 0.00 C ATOM 0 H TRP A 946 -6.152 14.176 -10.997 1.00 0.00 H new ATOM 0 HA TRP A 946 -3.426 13.357 -11.226 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -5.806 11.716 -10.325 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -4.126 11.518 -9.867 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -7.250 13.391 -8.896 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.772 14.932 -6.888 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -2.187 12.975 -8.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.523 15.783 -5.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.929 14.185 -7.107 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.076 15.562 -5.425 1.00 0.00 H new ATOM 432 N LYS A 947 -3.357 11.861 -13.111 1.00 0.00 N ATOM 433 CA LYS A 947 -3.178 10.947 -14.211 1.00 0.00 C ATOM 434 C LYS A 947 -2.155 9.954 -13.712 1.00 0.00 C ATOM 435 O LYS A 947 -1.457 10.293 -12.761 1.00 0.00 O ATOM 436 CB LYS A 947 -2.659 11.681 -15.453 1.00 0.00 C ATOM 437 CG LYS A 947 -3.631 12.690 -16.035 1.00 0.00 C ATOM 438 CD LYS A 947 -3.071 13.325 -17.294 1.00 0.00 C ATOM 439 CE LYS A 947 -4.091 14.233 -17.959 1.00 0.00 C ATOM 440 NZ LYS A 947 -3.593 14.774 -19.247 1.00 0.00 N ATOM 0 H LYS A 947 -2.486 12.283 -12.789 1.00 0.00 H new ATOM 0 HA LYS A 947 -4.112 10.470 -14.508 1.00 0.00 H new ATOM 0 HB2 LYS A 947 -1.732 12.194 -15.196 1.00 0.00 H new ATOM 0 HB3 LYS A 947 -2.415 10.946 -16.220 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -4.577 12.199 -16.262 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -3.842 13.464 -15.297 1.00 0.00 H new ATOM 0 HD2 LYS A 947 -2.178 13.899 -17.047 1.00 0.00 H new ATOM 0 HD3 LYS A 947 -2.766 12.545 -17.992 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -5.014 13.678 -18.131 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -4.335 15.057 -17.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -4.318 15.389 -19.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 -2.727 15.325 -19.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -3.384 13.989 -19.896 1.00 0.00 H new ATOM 454 N PRO A 948 -2.037 8.749 -14.288 1.00 0.00 N ATOM 455 CA PRO A 948 -1.085 7.743 -13.808 1.00 0.00 C ATOM 456 C PRO A 948 0.319 8.312 -13.616 1.00 0.00 C ATOM 457 O PRO A 948 0.799 9.111 -14.420 1.00 0.00 O ATOM 458 CB PRO A 948 -1.102 6.689 -14.914 1.00 0.00 C ATOM 459 CG PRO A 948 -2.467 6.799 -15.497 1.00 0.00 C ATOM 460 CD PRO A 948 -2.817 8.261 -15.432 1.00 0.00 C ATOM 0 HA PRO A 948 -1.359 7.352 -12.828 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -0.332 6.882 -15.661 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -0.917 5.691 -14.517 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -2.485 6.437 -16.525 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -3.183 6.199 -14.935 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.548 8.780 -16.352 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.886 8.412 -15.283 1.00 0.00 H new ATOM 468 N ALA A 949 0.953 7.903 -12.530 1.00 0.00 N ATOM 469 CA ALA A 949 2.287 8.393 -12.200 1.00 0.00 C ATOM 470 C ALA A 949 3.341 7.711 -13.072 1.00 0.00 C ATOM 471 O ALA A 949 3.022 7.106 -14.099 1.00 0.00 O ATOM 472 CB ALA A 949 2.593 8.179 -10.730 1.00 0.00 C ATOM 0 H ALA A 949 0.570 7.235 -11.861 1.00 0.00 H new ATOM 0 HA ALA A 949 2.314 9.464 -12.400 1.00 0.00 H new ATOM 0 HB1 ALA A 949 3.593 8.552 -10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 949 1.863 8.716 -10.124 1.00 0.00 H new ATOM 0 HB3 ALA A 949 2.544 7.115 -10.499 1.00 0.00 H new ATOM 478 N GLU A 950 4.590 7.769 -12.648 1.00 0.00 N ATOM 479 CA GLU A 950 5.676 7.211 -13.441 1.00 0.00 C ATOM 480 C GLU A 950 5.940 5.844 -12.935 1.00 0.00 C ATOM 481 O GLU A 950 6.149 4.890 -13.686 1.00 0.00 O ATOM 482 CB GLU A 950 6.930 8.044 -13.303 1.00 0.00 C ATOM 483 CG GLU A 950 6.628 9.457 -13.624 1.00 0.00 C ATOM 484 CD GLU A 950 7.852 10.326 -13.753 1.00 0.00 C ATOM 485 OE1 GLU A 950 8.396 10.428 -14.871 1.00 0.00 O ATOM 486 OE2 GLU A 950 8.254 10.965 -12.757 1.00 0.00 O ATOM 0 H GLU A 950 4.879 8.193 -11.766 1.00 0.00 H new ATOM 0 HA GLU A 950 5.394 7.199 -14.494 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.320 7.967 -12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.704 7.667 -13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 950 6.066 9.496 -14.557 1.00 0.00 H new ATOM 0 HG3 GLU A 950 5.983 9.867 -12.847 1.00 0.00 H new ATOM 493 N ASP A 951 5.841 5.749 -11.641 1.00 0.00 N ATOM 494 CA ASP A 951 6.045 4.513 -11.006 1.00 0.00 C ATOM 495 C ASP A 951 4.718 4.187 -10.376 1.00 0.00 C ATOM 496 O ASP A 951 4.353 4.798 -9.371 1.00 0.00 O ATOM 497 CB ASP A 951 7.160 4.554 -9.956 1.00 0.00 C ATOM 498 CG ASP A 951 8.483 5.035 -10.506 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.144 4.298 -11.268 1.00 0.00 O ATOM 500 OD2 ASP A 951 8.891 6.166 -10.165 1.00 0.00 O ATOM 0 H ASP A 951 5.619 6.525 -11.017 1.00 0.00 H new ATOM 0 HA ASP A 951 6.373 3.757 -11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 951 6.855 5.207 -9.138 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.290 3.557 -9.536 1.00 0.00 H new ATOM 505 N THR A 952 3.962 3.323 -11.020 1.00 0.00 N ATOM 506 CA THR A 952 2.601 3.050 -10.602 1.00 0.00 C ATOM 507 C THR A 952 2.554 2.508 -9.177 1.00 0.00 C ATOM 508 O THR A 952 1.905 3.092 -8.309 1.00 0.00 O ATOM 509 CB THR A 952 1.921 2.061 -11.566 1.00 0.00 C ATOM 510 OG1 THR A 952 2.195 2.453 -12.919 1.00 0.00 O ATOM 511 CG2 THR A 952 0.415 2.038 -11.351 1.00 0.00 C ATOM 0 H THR A 952 4.267 2.795 -11.838 1.00 0.00 H new ATOM 0 HA THR A 952 2.057 3.994 -10.625 1.00 0.00 H new ATOM 0 HB THR A 952 2.316 1.064 -11.372 1.00 0.00 H new ATOM 0 HG1 THR A 952 1.765 1.824 -13.535 1.00 0.00 H new ATOM 0 HG21 THR A 952 -0.041 1.331 -12.045 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.198 1.733 -10.327 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.007 3.033 -11.527 1.00 0.00 H new ATOM 519 N TYR A 953 3.256 1.420 -8.934 1.00 0.00 N ATOM 520 CA TYR A 953 3.269 0.815 -7.627 1.00 0.00 C ATOM 521 C TYR A 953 4.561 1.113 -6.887 1.00 0.00 C ATOM 522 O TYR A 953 5.659 0.995 -7.436 1.00 0.00 O ATOM 523 CB TYR A 953 2.973 -0.678 -7.725 1.00 0.00 C ATOM 524 CG TYR A 953 1.541 -0.922 -8.150 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.514 -0.906 -7.212 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.210 -1.137 -9.479 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.799 -1.099 -7.588 1.00 0.00 C ATOM 528 CE2 TYR A 953 -0.101 -1.333 -9.862 1.00 0.00 C ATOM 529 CZ TYR A 953 -1.101 -1.310 -8.915 1.00 0.00 C ATOM 530 OH TYR A 953 -2.405 -1.514 -9.297 1.00 0.00 O ATOM 0 H TYR A 953 3.825 0.939 -9.630 1.00 0.00 H new ATOM 0 HA TYR A 953 2.472 1.261 -7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.652 -1.140 -8.441 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.155 -1.152 -6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 953 0.749 -0.740 -6.171 1.00 0.00 H new ATOM 0 HD2 TYR A 953 1.990 -1.151 -10.226 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.585 -1.085 -6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -0.342 -1.504 -10.901 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.445 -1.646 -10.267 1.00 0.00 H new ATOM 540 N THR A 954 4.414 1.467 -5.625 1.00 0.00 N ATOM 541 CA THR A 954 5.512 1.906 -4.781 1.00 0.00 C ATOM 542 C THR A 954 5.194 1.493 -3.361 1.00 0.00 C ATOM 543 O THR A 954 4.179 0.830 -3.116 1.00 0.00 O ATOM 544 CB THR A 954 5.699 3.449 -4.798 1.00 0.00 C ATOM 545 OG1 THR A 954 4.515 4.115 -4.327 1.00 0.00 O ATOM 546 CG2 THR A 954 6.064 3.967 -6.183 1.00 0.00 C ATOM 0 H THR A 954 3.513 1.458 -5.148 1.00 0.00 H new ATOM 0 HA THR A 954 6.429 1.453 -5.157 1.00 0.00 H new ATOM 0 HB THR A 954 6.528 3.672 -4.126 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.555 4.202 -3.352 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.185 5.050 -6.146 1.00 0.00 H new ATOM 0 HG22 THR A 954 6.998 3.509 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.271 3.714 -6.887 1.00 0.00 H new ATOM 554 N ASP A 955 6.043 1.879 -2.439 1.00 0.00 N ATOM 555 CA ASP A 955 5.784 1.680 -1.033 1.00 0.00 C ATOM 556 C ASP A 955 5.427 3.049 -0.455 1.00 0.00 C ATOM 557 O ASP A 955 5.264 4.012 -1.222 1.00 0.00 O ATOM 558 CB ASP A 955 7.027 1.108 -0.332 1.00 0.00 C ATOM 559 CG ASP A 955 8.094 2.154 -0.068 1.00 0.00 C ATOM 560 OD1 ASP A 955 8.464 2.905 -0.990 1.00 0.00 O ATOM 561 OD2 ASP A 955 8.509 2.293 1.102 1.00 0.00 O ATOM 0 H ASP A 955 6.931 2.339 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 955 4.972 0.968 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 955 6.728 0.656 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 955 7.450 0.313 -0.946 1.00 0.00 H new ATOM 566 N ALA A 956 5.264 3.120 0.860 1.00 0.00 N ATOM 567 CA ALA A 956 5.019 4.385 1.561 1.00 0.00 C ATOM 568 C ALA A 956 6.062 5.461 1.225 1.00 0.00 C ATOM 569 O ALA A 956 5.751 6.656 1.225 1.00 0.00 O ATOM 570 CB ALA A 956 4.975 4.152 3.065 1.00 0.00 C ATOM 0 H ALA A 956 5.297 2.307 1.475 1.00 0.00 H new ATOM 0 HA ALA A 956 4.054 4.757 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 956 4.793 5.098 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 956 4.174 3.452 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 956 5.927 3.739 3.397 1.00 0.00 H new ATOM 576 N ASN A 957 7.294 5.055 0.938 1.00 0.00 N ATOM 577 CA ASN A 957 8.349 5.995 0.575 1.00 0.00 C ATOM 578 C ASN A 957 8.202 6.458 -0.869 1.00 0.00 C ATOM 579 O ASN A 957 8.211 7.658 -1.149 1.00 0.00 O ATOM 580 CB ASN A 957 9.749 5.395 0.773 1.00 0.00 C ATOM 581 CG ASN A 957 10.101 5.150 2.226 1.00 0.00 C ATOM 582 OD1 ASN A 957 10.640 6.023 2.901 1.00 0.00 O ATOM 583 ND2 ASN A 957 9.837 3.964 2.709 1.00 0.00 N ATOM 0 H ASN A 957 7.588 4.078 0.950 1.00 0.00 H new ATOM 0 HA ASN A 957 8.242 6.850 1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 957 9.812 4.453 0.228 1.00 0.00 H new ATOM 0 HB3 ASN A 957 10.488 6.066 0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 957 10.080 3.741 3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 957 9.388 3.262 2.121 1.00 0.00 H new ATOM 590 N GLY A 958 8.052 5.518 -1.781 1.00 0.00 N ATOM 591 CA GLY A 958 7.957 5.852 -3.191 1.00 0.00 C ATOM 592 C GLY A 958 8.836 4.962 -4.007 1.00 0.00 C ATOM 593 O GLY A 958 8.917 5.098 -5.232 1.00 0.00 O ATOM 0 H GLY A 958 7.993 4.521 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 958 6.924 5.754 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 958 8.244 6.893 -3.343 1.00 0.00 H new ATOM 597 N ASP A 959 9.554 4.114 -3.297 1.00 0.00 N ATOM 598 CA ASP A 959 10.382 3.109 -3.914 1.00 0.00 C ATOM 599 C ASP A 959 9.534 2.220 -4.791 1.00 0.00 C ATOM 600 O ASP A 959 8.667 1.489 -4.301 1.00 0.00 O ATOM 601 CB ASP A 959 11.141 2.271 -2.884 1.00 0.00 C ATOM 602 CG ASP A 959 11.935 1.156 -3.536 1.00 0.00 C ATOM 603 OD1 ASP A 959 12.773 1.444 -4.420 1.00 0.00 O ATOM 604 OD2 ASP A 959 11.729 -0.028 -3.190 1.00 0.00 O ATOM 0 H ASP A 959 9.577 4.106 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 959 11.128 3.621 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 959 11.815 2.914 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 959 10.435 1.845 -2.171 1.00 0.00 H new ATOM 609 N LYS A 960 9.715 2.421 -6.084 1.00 0.00 N ATOM 610 CA LYS A 960 9.075 1.624 -7.119 1.00 0.00 C ATOM 611 C LYS A 960 9.212 0.140 -6.798 1.00 0.00 C ATOM 612 O LYS A 960 10.312 -0.425 -6.795 1.00 0.00 O ATOM 613 CB LYS A 960 9.696 1.951 -8.488 1.00 0.00 C ATOM 614 CG LYS A 960 9.264 1.040 -9.631 1.00 0.00 C ATOM 615 CD LYS A 960 7.768 1.071 -9.878 1.00 0.00 C ATOM 616 CE LYS A 960 7.369 0.110 -10.988 1.00 0.00 C ATOM 617 NZ LYS A 960 7.729 -1.296 -10.670 1.00 0.00 N ATOM 0 H LYS A 960 10.321 3.155 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 960 8.013 1.866 -7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 960 9.442 2.979 -8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 960 10.781 1.904 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 960 9.784 1.337 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 960 9.569 0.017 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 960 7.241 0.809 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 960 7.462 2.083 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 960 6.294 0.179 -11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 960 7.857 0.407 -11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 7.104 -1.941 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 8.717 -1.472 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 7.619 -1.460 -9.649 1.00 0.00 H new ATOM 631 N ALA A 961 8.089 -0.468 -6.507 1.00 0.00 N ATOM 632 CA ALA A 961 8.043 -1.854 -6.119 1.00 0.00 C ATOM 633 C ALA A 961 7.341 -2.626 -7.206 1.00 0.00 C ATOM 634 O ALA A 961 6.921 -2.037 -8.212 1.00 0.00 O ATOM 635 CB ALA A 961 7.320 -2.005 -4.786 1.00 0.00 C ATOM 0 H ALA A 961 7.177 -0.012 -6.533 1.00 0.00 H new ATOM 0 HA ALA A 961 9.053 -2.244 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.292 -3.058 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 961 7.848 -1.438 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.302 -1.628 -4.880 1.00 0.00 H new ATOM 641 N ALA A 962 7.230 -3.921 -7.033 1.00 0.00 N ATOM 642 CA ALA A 962 6.533 -4.742 -7.988 1.00 0.00 C ATOM 643 C ALA A 962 5.040 -4.469 -7.891 1.00 0.00 C ATOM 644 O ALA A 962 4.541 -4.011 -6.857 1.00 0.00 O ATOM 645 CB ALA A 962 6.833 -6.213 -7.738 1.00 0.00 C ATOM 0 H ALA A 962 7.615 -4.428 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 962 6.872 -4.497 -8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 962 6.299 -6.822 -8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.905 -6.387 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 962 6.510 -6.484 -6.733 1.00 0.00 H new ATOM 651 N SER A 963 4.331 -4.732 -8.960 1.00 0.00 N ATOM 652 CA SER A 963 2.908 -4.558 -8.988 1.00 0.00 C ATOM 653 C SER A 963 2.261 -5.729 -8.270 1.00 0.00 C ATOM 654 O SER A 963 2.908 -6.744 -8.070 1.00 0.00 O ATOM 655 CB SER A 963 2.429 -4.475 -10.439 1.00 0.00 C ATOM 656 OG SER A 963 3.044 -5.451 -11.253 1.00 0.00 O ATOM 0 H SER A 963 4.729 -5.073 -9.835 1.00 0.00 H new ATOM 0 HA SER A 963 2.628 -3.632 -8.485 1.00 0.00 H new ATOM 0 HB2 SER A 963 1.347 -4.604 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 963 2.644 -3.483 -10.836 1.00 0.00 H new ATOM 0 HG SER A 963 3.945 -5.153 -11.497 1.00 0.00 H new ATOM 662 N PRO A 964 0.994 -5.609 -7.864 1.00 0.00 N ATOM 663 CA PRO A 964 0.275 -6.686 -7.184 1.00 0.00 C ATOM 664 C PRO A 964 0.203 -7.961 -8.020 1.00 0.00 C ATOM 665 O PRO A 964 0.086 -9.058 -7.483 1.00 0.00 O ATOM 666 CB PRO A 964 -1.120 -6.118 -6.945 1.00 0.00 C ATOM 667 CG PRO A 964 -1.214 -4.867 -7.743 1.00 0.00 C ATOM 668 CD PRO A 964 0.188 -4.405 -7.999 1.00 0.00 C ATOM 0 HA PRO A 964 0.780 -6.980 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -1.886 -6.831 -7.251 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -1.279 -5.914 -5.886 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -1.738 -5.047 -8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -1.778 -4.107 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.288 -3.969 -8.993 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.492 -3.641 -7.284 1.00 0.00 H new ATOM 676 N SER A 965 0.284 -7.813 -9.333 1.00 0.00 N ATOM 677 CA SER A 965 0.337 -8.946 -10.232 1.00 0.00 C ATOM 678 C SER A 965 1.682 -9.659 -10.026 1.00 0.00 C ATOM 679 O SER A 965 1.749 -10.881 -9.844 1.00 0.00 O ATOM 680 CB SER A 965 0.224 -8.415 -11.657 1.00 0.00 C ATOM 681 OG SER A 965 -0.656 -7.298 -11.689 1.00 0.00 O ATOM 0 H SER A 965 0.315 -6.907 -9.800 1.00 0.00 H new ATOM 0 HA SER A 965 -0.472 -9.651 -10.042 1.00 0.00 H new ATOM 0 HB2 SER A 965 1.208 -8.124 -12.025 1.00 0.00 H new ATOM 0 HB3 SER A 965 -0.145 -9.199 -12.318 1.00 0.00 H new ATOM 0 HG SER A 965 -0.723 -6.961 -12.607 1.00 0.00 H new ATOM 687 N GLU A 966 2.741 -8.851 -10.061 1.00 0.00 N ATOM 688 CA GLU A 966 4.109 -9.316 -9.833 1.00 0.00 C ATOM 689 C GLU A 966 4.326 -9.843 -8.404 1.00 0.00 C ATOM 690 O GLU A 966 5.104 -10.773 -8.193 1.00 0.00 O ATOM 691 CB GLU A 966 5.121 -8.204 -10.106 1.00 0.00 C ATOM 692 CG GLU A 966 5.186 -7.734 -11.547 1.00 0.00 C ATOM 693 CD GLU A 966 6.071 -6.515 -11.698 1.00 0.00 C ATOM 694 OE1 GLU A 966 5.641 -5.415 -11.280 1.00 0.00 O ATOM 695 OE2 GLU A 966 7.203 -6.633 -12.218 1.00 0.00 O ATOM 0 H GLU A 966 2.674 -7.851 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 966 4.264 -10.140 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 966 4.880 -7.351 -9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 966 6.110 -8.553 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 966 5.565 -8.539 -12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 966 4.181 -7.500 -11.899 1.00 0.00 H new ATOM 702 N LEU A 967 3.646 -9.244 -7.436 1.00 0.00 N ATOM 703 CA LEU A 967 3.776 -9.604 -6.038 1.00 0.00 C ATOM 704 C LEU A 967 3.233 -10.999 -5.757 1.00 0.00 C ATOM 705 O LEU A 967 2.034 -11.260 -5.853 1.00 0.00 O ATOM 706 CB LEU A 967 3.096 -8.529 -5.184 1.00 0.00 C ATOM 707 CG LEU A 967 3.877 -7.209 -5.099 1.00 0.00 C ATOM 708 CD1 LEU A 967 3.043 -6.111 -4.467 1.00 0.00 C ATOM 709 CD2 LEU A 967 5.161 -7.408 -4.307 1.00 0.00 C ATOM 0 H LEU A 967 2.983 -8.487 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 967 4.833 -9.645 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 967 2.106 -8.327 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.951 -8.919 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 967 4.124 -6.902 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.626 -5.191 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 967 2.147 -5.944 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.755 -6.407 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.706 -6.465 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.918 -7.744 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.780 -8.157 -4.800 1.00 0.00 H new ATOM 721 N THR A 968 4.144 -11.891 -5.423 1.00 0.00 N ATOM 722 CA THR A 968 3.819 -13.271 -5.146 1.00 0.00 C ATOM 723 C THR A 968 4.173 -13.590 -3.704 1.00 0.00 C ATOM 724 O THR A 968 4.792 -12.768 -3.022 1.00 0.00 O ATOM 725 CB THR A 968 4.574 -14.219 -6.106 1.00 0.00 C ATOM 726 OG1 THR A 968 5.968 -13.872 -6.144 1.00 0.00 O ATOM 727 CG2 THR A 968 3.986 -14.155 -7.510 1.00 0.00 C ATOM 0 H THR A 968 5.137 -11.674 -5.336 1.00 0.00 H new ATOM 0 HA THR A 968 2.750 -13.420 -5.300 1.00 0.00 H new ATOM 0 HB THR A 968 4.465 -15.238 -5.734 1.00 0.00 H new ATOM 0 HG1 THR A 968 6.440 -14.478 -6.753 1.00 0.00 H new ATOM 0 HG21 THR A 968 4.535 -14.831 -8.166 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.937 -14.451 -7.479 1.00 0.00 H new ATOM 0 HG23 THR A 968 4.064 -13.137 -7.891 1.00 0.00 H new ATOM 735 N CYS A 969 3.780 -14.754 -3.225 1.00 0.00 N ATOM 736 CA CYS A 969 4.076 -15.126 -1.856 1.00 0.00 C ATOM 737 C CYS A 969 5.440 -15.787 -1.764 1.00 0.00 C ATOM 738 O CYS A 969 5.818 -16.576 -2.636 1.00 0.00 O ATOM 739 CB CYS A 969 2.996 -16.051 -1.301 1.00 0.00 C ATOM 740 SG CYS A 969 2.690 -17.525 -2.300 1.00 0.00 S ATOM 0 H CYS A 969 3.260 -15.452 -3.757 1.00 0.00 H new ATOM 0 HA CYS A 969 4.092 -14.218 -1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 969 3.282 -16.361 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 969 2.066 -15.490 -1.209 1.00 0.00 H new ATOM 0 HG CYS A 969 2.752 -18.581 -1.545 1.00 0.00 H new ATOM 746 N PRO A 970 6.211 -15.447 -0.730 1.00 0.00 N ATOM 747 CA PRO A 970 7.526 -16.038 -0.509 1.00 0.00 C ATOM 748 C PRO A 970 7.411 -17.381 0.205 1.00 0.00 C ATOM 749 O PRO A 970 6.340 -17.706 0.745 1.00 0.00 O ATOM 750 CB PRO A 970 8.194 -15.005 0.399 1.00 0.00 C ATOM 751 CG PRO A 970 7.079 -14.474 1.219 1.00 0.00 C ATOM 752 CD PRO A 970 5.876 -14.449 0.310 1.00 0.00 C ATOM 0 HA PRO A 970 8.072 -16.241 -1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.965 -15.459 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 970 8.675 -14.216 -0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.899 -15.105 2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 970 7.308 -13.476 1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.964 -14.716 0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.717 -13.460 -0.119 1.00 0.00 H new ATOM 760 N PRO A 971 8.470 -18.205 0.189 1.00 0.00 N ATOM 761 CA PRO A 971 8.500 -19.436 0.967 1.00 0.00 C ATOM 762 C PRO A 971 8.394 -19.121 2.449 1.00 0.00 C ATOM 763 O PRO A 971 9.337 -18.617 3.060 1.00 0.00 O ATOM 764 CB PRO A 971 9.856 -20.062 0.630 1.00 0.00 C ATOM 765 CG PRO A 971 10.249 -19.430 -0.660 1.00 0.00 C ATOM 766 CD PRO A 971 9.688 -18.040 -0.615 1.00 0.00 C ATOM 0 HA PRO A 971 7.672 -20.106 0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 971 10.590 -19.861 1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 971 9.780 -21.145 0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 971 11.333 -19.412 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 971 9.849 -19.987 -1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 971 10.384 -17.338 -0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 971 9.466 -17.661 -1.613 1.00 0.00 H new ATOM 774 N GLY A 972 7.216 -19.333 2.995 1.00 0.00 N ATOM 775 CA GLY A 972 6.984 -19.010 4.378 1.00 0.00 C ATOM 776 C GLY A 972 5.770 -18.127 4.535 1.00 0.00 C ATOM 777 O GLY A 972 5.323 -17.874 5.640 1.00 0.00 O ATOM 0 H GLY A 972 6.413 -19.725 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 972 6.846 -19.927 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 972 7.859 -18.506 4.788 1.00 0.00 H new ATOM 781 N TRP A 973 5.217 -17.666 3.421 1.00 0.00 N ATOM 782 CA TRP A 973 4.062 -16.791 3.460 1.00 0.00 C ATOM 783 C TRP A 973 3.035 -17.196 2.421 1.00 0.00 C ATOM 784 O TRP A 973 3.368 -17.609 1.314 1.00 0.00 O ATOM 785 CB TRP A 973 4.458 -15.315 3.357 1.00 0.00 C ATOM 786 CG TRP A 973 5.124 -14.815 4.606 1.00 0.00 C ATOM 787 CD1 TRP A 973 6.463 -14.724 4.822 1.00 0.00 C ATOM 788 CD2 TRP A 973 4.491 -14.399 5.828 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.703 -14.261 6.091 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.512 -14.052 6.725 1.00 0.00 C ATOM 791 CE3 TRP A 973 3.165 -14.277 6.250 1.00 0.00 C ATOM 792 CZ2 TRP A 973 5.253 -13.596 8.016 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.904 -13.833 7.537 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.945 -13.499 8.405 1.00 0.00 C ATOM 0 H TRP A 973 5.552 -17.885 2.483 1.00 0.00 H new ATOM 0 HA TRP A 973 3.589 -16.907 4.435 1.00 0.00 H new ATOM 0 HB2 TRP A 973 5.131 -15.180 2.510 1.00 0.00 H new ATOM 0 HB3 TRP A 973 3.570 -14.716 3.157 1.00 0.00 H new ATOM 0 HD1 TRP A 973 7.226 -14.979 4.101 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.625 -14.099 6.496 1.00 0.00 H new ATOM 0 HE3 TRP A 973 2.353 -14.525 5.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 6.057 -13.329 8.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.881 -13.744 7.873 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.713 -13.157 9.403 1.00 0.00 H new ATOM 805 N GLU A 974 1.800 -17.118 2.844 1.00 0.00 N ATOM 806 CA GLU A 974 0.621 -17.565 2.132 1.00 0.00 C ATOM 807 C GLU A 974 -0.343 -16.383 1.996 1.00 0.00 C ATOM 808 O GLU A 974 -0.482 -15.616 2.935 1.00 0.00 O ATOM 809 CB GLU A 974 0.010 -18.639 3.041 1.00 0.00 C ATOM 810 CG GLU A 974 -1.242 -19.321 2.557 1.00 0.00 C ATOM 811 CD GLU A 974 -0.993 -20.181 1.331 1.00 0.00 C ATOM 812 OE1 GLU A 974 -1.059 -19.671 0.189 1.00 0.00 O ATOM 813 OE2 GLU A 974 -0.702 -21.383 1.476 1.00 0.00 O ATOM 0 H GLU A 974 1.572 -16.715 3.753 1.00 0.00 H new ATOM 0 HA GLU A 974 0.835 -17.947 1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 974 0.766 -19.405 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.207 -18.181 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -1.648 -19.941 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -1.996 -18.569 2.323 1.00 0.00 H new ATOM 820 N TRP A 975 -0.956 -16.177 0.850 1.00 0.00 N ATOM 821 CA TRP A 975 -1.952 -15.122 0.747 1.00 0.00 C ATOM 822 C TRP A 975 -3.311 -15.618 1.213 1.00 0.00 C ATOM 823 O TRP A 975 -3.583 -16.823 1.237 1.00 0.00 O ATOM 824 CB TRP A 975 -2.060 -14.563 -0.671 1.00 0.00 C ATOM 825 CG TRP A 975 -0.803 -13.946 -1.157 1.00 0.00 C ATOM 826 CD1 TRP A 975 0.016 -14.430 -2.115 1.00 0.00 C ATOM 827 CD2 TRP A 975 -0.220 -12.724 -0.701 1.00 0.00 C ATOM 828 NE1 TRP A 975 1.072 -13.585 -2.289 1.00 0.00 N ATOM 829 CE2 TRP A 975 0.959 -12.532 -1.428 1.00 0.00 C ATOM 830 CE3 TRP A 975 -0.581 -11.777 0.252 1.00 0.00 C ATOM 831 CZ2 TRP A 975 1.788 -11.432 -1.234 1.00 0.00 C ATOM 832 CZ3 TRP A 975 0.238 -10.682 0.442 1.00 0.00 C ATOM 833 CH2 TRP A 975 1.411 -10.521 -0.297 1.00 0.00 C ATOM 0 H TRP A 975 -0.792 -16.708 -0.005 1.00 0.00 H new ATOM 0 HA TRP A 975 -1.621 -14.312 1.397 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -2.348 -15.366 -1.349 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -2.856 -13.819 -0.701 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -0.142 -15.348 -2.661 1.00 0.00 H new ATOM 0 HE1 TRP A 975 1.829 -13.719 -2.959 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -1.484 -11.896 0.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 2.696 -11.306 -1.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.034 -9.937 1.175 1.00 0.00 H new ATOM 0 HH2 TRP A 975 2.032 -9.655 -0.121 1.00 0.00 H new ATOM 844 N GLU A 976 -4.158 -14.679 1.575 1.00 0.00 N ATOM 845 CA GLU A 976 -5.490 -14.990 2.051 1.00 0.00 C ATOM 846 C GLU A 976 -6.489 -13.992 1.494 1.00 0.00 C ATOM 847 O GLU A 976 -7.617 -14.346 1.161 1.00 0.00 O ATOM 848 CB GLU A 976 -5.537 -14.985 3.574 1.00 0.00 C ATOM 849 CG GLU A 976 -6.930 -15.219 4.129 1.00 0.00 C ATOM 850 CD GLU A 976 -6.955 -15.154 5.622 1.00 0.00 C ATOM 851 OE1 GLU A 976 -6.478 -14.154 6.184 1.00 0.00 O ATOM 852 OE2 GLU A 976 -7.439 -16.102 6.271 1.00 0.00 O ATOM 0 H GLU A 976 -3.945 -13.682 1.548 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.753 -15.989 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -4.867 -15.756 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.163 -14.029 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -7.613 -14.473 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -7.292 -16.194 3.802 1.00 0.00 H new ATOM 859 N ASP A 977 -6.069 -12.741 1.383 1.00 0.00 N ATOM 860 CA ASP A 977 -6.938 -11.713 0.827 1.00 0.00 C ATOM 861 C ASP A 977 -7.151 -12.025 -0.647 1.00 0.00 C ATOM 862 O ASP A 977 -6.288 -12.650 -1.276 1.00 0.00 O ATOM 863 CB ASP A 977 -6.314 -10.321 0.980 1.00 0.00 C ATOM 864 CG ASP A 977 -7.294 -9.192 0.699 1.00 0.00 C ATOM 865 OD1 ASP A 977 -7.788 -9.061 -0.438 1.00 0.00 O ATOM 866 OD2 ASP A 977 -7.579 -8.408 1.621 1.00 0.00 O ATOM 0 H ASP A 977 -5.145 -12.415 1.666 1.00 0.00 H new ATOM 0 HA ASP A 977 -7.887 -11.710 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.926 -10.213 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -5.465 -10.234 0.302 1.00 0.00 H new ATOM 871 N ASP A 978 -8.290 -11.640 -1.178 1.00 0.00 N ATOM 872 CA ASP A 978 -8.608 -11.883 -2.578 1.00 0.00 C ATOM 873 C ASP A 978 -7.732 -11.062 -3.498 1.00 0.00 C ATOM 874 O ASP A 978 -7.212 -11.586 -4.482 1.00 0.00 O ATOM 875 CB ASP A 978 -10.061 -11.559 -2.915 1.00 0.00 C ATOM 876 CG ASP A 978 -11.062 -12.515 -2.321 1.00 0.00 C ATOM 877 OD1 ASP A 978 -11.102 -13.686 -2.743 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.856 -12.101 -1.448 1.00 0.00 O ATOM 0 H ASP A 978 -9.021 -11.152 -0.660 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.430 -12.947 -2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.287 -10.551 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.178 -11.555 -3.999 1.00 0.00 H new ATOM 883 N ALA A 979 -7.535 -9.795 -3.168 1.00 0.00 N ATOM 884 CA ALA A 979 -6.841 -8.884 -4.061 1.00 0.00 C ATOM 885 C ALA A 979 -6.471 -7.608 -3.334 1.00 0.00 C ATOM 886 O ALA A 979 -7.096 -7.248 -2.338 1.00 0.00 O ATOM 887 CB ALA A 979 -7.707 -8.557 -5.270 1.00 0.00 C ATOM 0 H ALA A 979 -7.845 -9.376 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 979 -5.929 -9.373 -4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -7.170 -7.873 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -7.938 -9.475 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -8.634 -8.089 -4.938 1.00 0.00 H new ATOM 893 N TRP A 980 -5.501 -6.908 -3.878 1.00 0.00 N ATOM 894 CA TRP A 980 -5.008 -5.687 -3.265 1.00 0.00 C ATOM 895 C TRP A 980 -6.010 -4.570 -3.532 1.00 0.00 C ATOM 896 O TRP A 980 -6.001 -3.941 -4.591 1.00 0.00 O ATOM 897 CB TRP A 980 -3.628 -5.280 -3.787 1.00 0.00 C ATOM 898 CG TRP A 980 -2.571 -6.347 -3.721 1.00 0.00 C ATOM 899 CD1 TRP A 980 -2.542 -7.510 -4.427 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.363 -6.330 -2.947 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.409 -8.217 -4.142 1.00 0.00 N ATOM 902 CE2 TRP A 980 -0.662 -7.517 -3.244 1.00 0.00 C ATOM 903 CE3 TRP A 980 -0.805 -5.436 -2.032 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.562 -7.829 -2.672 1.00 0.00 C ATOM 905 CZ3 TRP A 980 0.411 -5.748 -1.456 1.00 0.00 C ATOM 906 CH2 TRP A 980 1.085 -6.933 -1.782 1.00 0.00 C ATOM 0 H TRP A 980 -5.033 -7.162 -4.748 1.00 0.00 H new ATOM 0 HA TRP A 980 -4.899 -5.867 -2.196 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -3.731 -4.959 -4.823 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.284 -4.416 -3.218 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.309 -7.830 -5.117 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.162 -9.124 -4.538 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.314 -4.518 -1.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 1.081 -8.743 -2.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.850 -5.067 -0.742 1.00 0.00 H new ATOM 0 HH2 TRP A 980 2.038 -7.143 -1.320 1.00 0.00 H new ATOM 917 N SER A 981 -6.930 -4.413 -2.615 1.00 0.00 N ATOM 918 CA SER A 981 -7.974 -3.411 -2.720 1.00 0.00 C ATOM 919 C SER A 981 -7.625 -2.263 -1.800 1.00 0.00 C ATOM 920 O SER A 981 -6.908 -2.442 -0.848 1.00 0.00 O ATOM 921 CB SER A 981 -9.330 -4.013 -2.332 1.00 0.00 C ATOM 922 OG SER A 981 -10.406 -3.130 -2.617 1.00 0.00 O ATOM 0 H SER A 981 -6.981 -4.977 -1.767 1.00 0.00 H new ATOM 0 HA SER A 981 -8.047 -3.055 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 981 -9.478 -4.950 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 981 -9.329 -4.252 -1.269 1.00 0.00 H new ATOM 0 HG SER A 981 -11.252 -3.551 -2.357 1.00 0.00 H new ATOM 928 N TYR A 982 -8.226 -1.136 -2.008 1.00 0.00 N ATOM 929 CA TYR A 982 -7.826 0.074 -1.315 1.00 0.00 C ATOM 930 C TYR A 982 -8.258 0.059 0.142 1.00 0.00 C ATOM 931 O TYR A 982 -9.344 -0.410 0.490 1.00 0.00 O ATOM 932 CB TYR A 982 -8.362 1.300 -2.045 1.00 0.00 C ATOM 933 CG TYR A 982 -9.829 1.230 -2.384 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.267 0.439 -3.432 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.762 1.964 -1.678 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.600 0.374 -3.770 1.00 0.00 C ATOM 937 CE2 TYR A 982 -12.102 1.907 -2.002 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.517 1.111 -3.049 1.00 0.00 C ATOM 939 OH TYR A 982 -13.852 1.058 -3.383 1.00 0.00 O ATOM 0 H TYR A 982 -9.004 -1.015 -2.656 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.737 0.121 -1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -8.186 2.181 -1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.795 1.437 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.549 -0.138 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.438 2.591 -0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -11.925 -0.248 -4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.822 2.482 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 982 -14.364 1.634 -2.777 1.00 0.00 H new ATOM 949 N ASP A 983 -7.364 0.536 0.985 1.00 0.00 N ATOM 950 CA ASP A 983 -7.548 0.514 2.424 1.00 0.00 C ATOM 951 C ASP A 983 -8.012 1.869 2.918 1.00 0.00 C ATOM 952 O ASP A 983 -7.435 2.900 2.568 1.00 0.00 O ATOM 953 CB ASP A 983 -6.239 0.115 3.100 1.00 0.00 C ATOM 954 CG ASP A 983 -6.313 0.090 4.612 1.00 0.00 C ATOM 955 OD1 ASP A 983 -7.222 -0.565 5.163 1.00 0.00 O ATOM 956 OD2 ASP A 983 -5.428 0.685 5.267 1.00 0.00 O ATOM 0 H ASP A 983 -6.482 0.953 0.689 1.00 0.00 H new ATOM 0 HA ASP A 983 -8.315 -0.219 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.944 -0.872 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.457 0.811 2.796 1.00 0.00 H new ATOM 961 N ILE A 984 -9.056 1.859 3.718 1.00 0.00 N ATOM 962 CA ILE A 984 -9.646 3.082 4.230 1.00 0.00 C ATOM 963 C ILE A 984 -9.502 3.192 5.743 1.00 0.00 C ATOM 964 O ILE A 984 -10.144 4.023 6.382 1.00 0.00 O ATOM 965 CB ILE A 984 -11.132 3.219 3.788 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.951 1.919 3.975 1.00 0.00 C ATOM 967 CG2 ILE A 984 -11.207 3.674 2.338 1.00 0.00 C ATOM 968 CD1 ILE A 984 -12.241 1.522 5.412 1.00 0.00 C ATOM 0 H ILE A 984 -9.520 1.007 4.033 1.00 0.00 H new ATOM 0 HA ILE A 984 -9.093 3.915 3.796 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.580 3.968 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -12.900 2.031 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.415 1.101 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -12.251 3.767 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.713 4.640 2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.711 2.942 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -12.820 0.598 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -11.302 1.369 5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -12.810 2.313 5.900 1.00 0.00 H new ATOM 980 N ASN A 985 -8.575 2.423 6.293 1.00 0.00 N ATOM 981 CA ASN A 985 -8.380 2.333 7.741 1.00 0.00 C ATOM 982 C ASN A 985 -7.272 3.322 8.142 1.00 0.00 C ATOM 983 O ASN A 985 -6.525 3.107 9.090 1.00 0.00 O ATOM 984 CB ASN A 985 -7.992 0.877 8.078 1.00 0.00 C ATOM 985 CG ASN A 985 -8.249 0.414 9.520 1.00 0.00 C ATOM 986 OD1 ASN A 985 -8.543 -0.766 9.748 1.00 0.00 O ATOM 987 ND2 ASN A 985 -8.130 1.278 10.506 1.00 0.00 N ATOM 0 H ASN A 985 -7.934 1.842 5.753 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.285 2.591 8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -8.537 0.215 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -6.931 0.748 7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -8.281 0.977 11.469 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -7.887 2.249 10.307 1.00 0.00 H new ATOM 994 N ARG A 986 -7.229 4.447 7.435 1.00 0.00 N ATOM 995 CA ARG A 986 -6.228 5.491 7.627 1.00 0.00 C ATOM 996 C ARG A 986 -6.885 6.836 7.373 1.00 0.00 C ATOM 997 O ARG A 986 -8.073 6.894 7.038 1.00 0.00 O ATOM 998 CB ARG A 986 -5.065 5.373 6.630 1.00 0.00 C ATOM 999 CG ARG A 986 -4.108 4.209 6.815 1.00 0.00 C ATOM 1000 CD ARG A 986 -3.021 4.249 5.747 1.00 0.00 C ATOM 1001 NE ARG A 986 -2.254 5.504 5.769 1.00 0.00 N ATOM 1002 CZ ARG A 986 -1.743 6.120 4.690 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -1.765 5.533 3.500 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -1.170 7.313 4.809 1.00 0.00 N ATOM 0 H ARG A 986 -7.901 4.663 6.699 1.00 0.00 H new ATOM 0 HA ARG A 986 -5.841 5.391 8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -5.486 5.308 5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -4.487 6.296 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -3.657 4.253 7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -4.653 3.267 6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -2.342 3.409 5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -3.477 4.123 4.765 1.00 0.00 H new ATOM 0 HE ARG A 986 -2.097 5.942 6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -2.173 4.604 3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -1.374 6.011 2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -1.117 7.764 5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -0.783 7.777 3.987 1.00 0.00 H new ATOM 1018 N ALA A 987 -6.109 7.897 7.508 1.00 0.00 N ATOM 1019 CA ALA A 987 -6.545 9.230 7.144 1.00 0.00 C ATOM 1020 C ALA A 987 -6.363 9.375 5.643 1.00 0.00 C ATOM 1021 O ALA A 987 -5.323 9.828 5.154 1.00 0.00 O ATOM 1022 CB ALA A 987 -5.758 10.290 7.901 1.00 0.00 C ATOM 0 H ALA A 987 -5.158 7.857 7.874 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.592 9.373 7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -6.106 11.280 7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.905 10.156 8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -4.698 10.194 7.665 1.00 0.00 H new ATOM 1028 N VAL A 988 -7.338 8.867 4.927 1.00 0.00 N ATOM 1029 CA VAL A 988 -7.303 8.775 3.481 1.00 0.00 C ATOM 1030 C VAL A 988 -8.566 9.363 2.872 1.00 0.00 C ATOM 1031 O VAL A 988 -9.385 9.964 3.570 1.00 0.00 O ATOM 1032 CB VAL A 988 -7.134 7.305 3.029 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -5.754 6.785 3.406 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -8.216 6.417 3.635 1.00 0.00 C ATOM 0 H VAL A 988 -8.196 8.498 5.338 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.446 9.350 3.130 1.00 0.00 H new ATOM 0 HB VAL A 988 -7.236 7.275 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -5.654 5.750 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -4.991 7.394 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -5.628 6.839 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -8.073 5.389 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -8.153 6.457 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -9.197 6.769 3.316 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.733 9.167 1.580 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.871 9.679 0.840 1.00 0.00 C ATOM 1046 C ASP A 989 -10.864 8.523 0.780 1.00 0.00 C ATOM 1047 O ASP A 989 -10.634 7.483 1.409 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.440 10.075 -0.587 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.418 10.988 -1.327 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -11.490 10.527 -1.773 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -10.109 12.177 -1.521 1.00 0.00 O ATOM 0 H ASP A 989 -8.074 8.641 1.006 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.299 10.564 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.472 10.573 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -9.300 9.167 -1.173 1.00 0.00 H new ATOM 1056 N GLU A 990 -11.929 8.670 0.025 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.941 7.634 -0.127 1.00 0.00 C ATOM 1058 C GLU A 990 -12.340 6.362 -0.659 1.00 0.00 C ATOM 1059 O GLU A 990 -12.766 5.262 -0.308 1.00 0.00 O ATOM 1060 CB GLU A 990 -14.018 8.108 -1.074 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.689 9.330 -0.547 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.785 9.857 -1.440 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -15.513 10.149 -2.630 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -16.915 10.052 -0.950 1.00 0.00 O ATOM 0 H GLU A 990 -12.124 9.517 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 990 -13.369 7.433 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -13.582 8.320 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.754 7.318 -1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -15.108 9.108 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -13.942 10.111 -0.405 1.00 0.00 H new ATOM 1071 N LYS A 991 -11.340 6.504 -1.493 1.00 0.00 N ATOM 1072 CA LYS A 991 -10.746 5.336 -2.058 1.00 0.00 C ATOM 1073 C LYS A 991 -9.319 5.097 -1.567 1.00 0.00 C ATOM 1074 O LYS A 991 -8.529 4.460 -2.263 1.00 0.00 O ATOM 1075 CB LYS A 991 -10.799 5.402 -3.576 1.00 0.00 C ATOM 1076 CG LYS A 991 -12.217 5.455 -4.099 1.00 0.00 C ATOM 1077 CD LYS A 991 -12.251 5.627 -5.593 1.00 0.00 C ATOM 1078 CE LYS A 991 -13.675 5.776 -6.080 1.00 0.00 C ATOM 1079 NZ LYS A 991 -13.719 6.035 -7.536 1.00 0.00 N ATOM 0 H LYS A 991 -10.935 7.393 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 991 -11.331 4.482 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -10.255 6.282 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -10.293 4.532 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -12.740 4.539 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.749 6.280 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -11.670 6.505 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -11.785 4.767 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -14.237 4.870 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -14.160 6.594 -5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -14.708 6.133 -7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -13.203 6.913 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -13.277 5.242 -8.043 1.00 0.00 H new ATOM 1093 N GLY A 992 -8.960 5.622 -0.400 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.661 5.303 0.176 1.00 0.00 C ATOM 1095 C GLY A 992 -6.579 6.274 -0.239 1.00 0.00 C ATOM 1096 O GLY A 992 -5.458 6.212 0.260 1.00 0.00 O ATOM 0 H GLY A 992 -9.536 6.256 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.742 5.300 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -7.373 4.296 -0.125 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.903 7.090 -1.227 1.00 0.00 N ATOM 1101 CA TRP A 993 -6.025 8.156 -1.703 1.00 0.00 C ATOM 1102 C TRP A 993 -5.535 9.068 -0.568 1.00 0.00 C ATOM 1103 O TRP A 993 -6.270 9.364 0.365 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.754 9.028 -2.719 1.00 0.00 C ATOM 1105 CG TRP A 993 -7.192 8.373 -3.999 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.472 8.080 -4.365 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -6.361 7.976 -5.103 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -8.489 7.537 -5.625 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -7.212 7.464 -6.099 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -4.986 8.006 -5.350 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -6.734 6.992 -7.317 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -4.513 7.533 -6.556 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -5.384 7.033 -7.527 1.00 0.00 C ATOM 0 H TRP A 993 -7.789 7.035 -1.729 1.00 0.00 H new ATOM 0 HA TRP A 993 -5.164 7.662 -2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.637 9.445 -2.234 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -6.104 9.865 -2.973 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -9.345 8.250 -3.753 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -9.324 7.236 -6.127 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -4.304 8.394 -4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -7.406 6.607 -8.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -3.451 7.549 -6.753 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.983 6.672 -8.462 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.304 9.517 -0.675 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.714 10.468 0.242 1.00 0.00 C ATOM 1126 C GLU A 994 -3.086 11.574 -0.563 1.00 0.00 C ATOM 1127 O GLU A 994 -2.525 11.361 -1.632 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.725 9.847 1.241 1.00 0.00 C ATOM 1129 CG GLU A 994 -1.705 8.895 0.646 1.00 0.00 C ATOM 1130 CD GLU A 994 -0.849 8.195 1.687 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -0.447 8.816 2.689 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -0.609 6.977 1.558 1.00 0.00 O ATOM 0 H GLU A 994 -3.671 9.224 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.509 10.866 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -2.192 10.653 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -3.293 9.313 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.225 8.144 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -1.057 9.448 -0.033 1.00 0.00 H new ATOM 1139 N TYR A 995 -3.203 12.733 -0.021 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.968 13.983 -0.704 1.00 0.00 C ATOM 1141 C TYR A 995 -1.646 14.584 -0.288 1.00 0.00 C ATOM 1142 O TYR A 995 -1.480 14.963 0.865 1.00 0.00 O ATOM 1143 CB TYR A 995 -4.123 14.865 -0.292 1.00 0.00 C ATOM 1144 CG TYR A 995 -4.704 15.781 -1.324 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -5.536 15.305 -2.324 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -4.503 17.128 -1.237 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -6.136 16.163 -3.224 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -5.112 17.999 -2.112 1.00 0.00 C ATOM 1149 CZ TYR A 995 -5.921 17.515 -3.103 1.00 0.00 C ATOM 1150 OH TYR A 995 -6.534 18.398 -3.952 1.00 0.00 O ATOM 0 H TYR A 995 -3.477 12.856 0.954 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.913 13.860 -1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.923 14.221 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -3.795 15.474 0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -5.719 14.243 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -3.854 17.518 -0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -6.766 15.777 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -4.951 19.063 -2.016 1.00 0.00 H new ATOM 0 HH TYR A 995 -6.468 19.304 -3.585 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.735 14.694 -1.233 1.00 0.00 N ATOM 1161 CA GLY A 996 0.577 15.203 -0.951 1.00 0.00 C ATOM 1162 C GLY A 996 1.017 16.253 -1.955 1.00 0.00 C ATOM 1163 O GLY A 996 0.639 16.236 -3.121 1.00 0.00 O ATOM 0 H GLY A 996 -0.888 14.434 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 996 0.590 15.634 0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.292 14.380 -0.953 1.00 0.00 H new ATOM 1167 N ILE A 997 1.741 17.216 -1.464 1.00 0.00 N ATOM 1168 CA ILE A 997 2.350 18.248 -2.300 1.00 0.00 C ATOM 1169 C ILE A 997 3.751 17.821 -2.655 1.00 0.00 C ATOM 1170 O ILE A 997 4.258 16.858 -2.114 1.00 0.00 O ATOM 1171 CB ILE A 997 2.522 19.621 -1.644 1.00 0.00 C ATOM 1172 CG1 ILE A 997 3.352 19.467 -0.397 1.00 0.00 C ATOM 1173 CG2 ILE A 997 1.216 20.342 -1.372 1.00 0.00 C ATOM 1174 CD1 ILE A 997 2.533 19.378 0.872 1.00 0.00 C ATOM 0 H ILE A 997 1.936 17.321 -0.468 1.00 0.00 H new ATOM 0 HA ILE A 997 1.663 18.350 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 997 3.041 20.264 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 997 3.964 18.570 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 997 4.035 20.313 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 997 1.423 21.306 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 997 0.684 20.498 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 997 0.601 19.741 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 997 3.199 19.268 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 997 1.941 20.286 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 997 1.869 18.516 0.816 1.00 0.00 H new ATOM 1186 N THR A 998 4.384 18.581 -3.507 1.00 0.00 N ATOM 1187 CA THR A 998 5.738 18.341 -3.931 1.00 0.00 C ATOM 1188 C THR A 998 6.145 19.606 -4.692 1.00 0.00 C ATOM 1189 O THR A 998 5.738 19.805 -5.839 1.00 0.00 O ATOM 1190 CB THR A 998 5.872 17.126 -4.876 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.303 15.944 -4.303 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.328 16.844 -5.234 1.00 0.00 C ATOM 0 H THR A 998 3.963 19.405 -3.936 1.00 0.00 H new ATOM 0 HA THR A 998 6.364 18.122 -3.066 1.00 0.00 H new ATOM 0 HB THR A 998 5.324 17.387 -5.781 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.220 16.058 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.379 15.982 -5.900 1.00 0.00 H new ATOM 0 HG22 THR A 998 7.755 17.714 -5.733 1.00 0.00 H new ATOM 0 HG23 THR A 998 7.892 16.634 -4.325 1.00 0.00 H new ATOM 1200 N ILE A 999 6.853 20.495 -4.033 1.00 0.00 N ATOM 1201 CA ILE A 999 7.214 21.772 -4.640 1.00 0.00 C ATOM 1202 C ILE A 999 8.729 21.876 -4.789 1.00 0.00 C ATOM 1203 O ILE A 999 9.438 22.010 -3.790 1.00 0.00 O ATOM 1204 CB ILE A 999 6.671 22.975 -3.821 1.00 0.00 C ATOM 1205 CG1 ILE A 999 5.141 22.889 -3.705 1.00 0.00 C ATOM 1206 CG2 ILE A 999 7.085 24.298 -4.469 1.00 0.00 C ATOM 1207 CD1 ILE A 999 4.514 23.990 -2.874 1.00 0.00 C ATOM 0 H ILE A 999 7.193 20.366 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 999 6.752 21.810 -5.627 1.00 0.00 H new ATOM 0 HB ILE A 999 7.100 22.936 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 999 4.711 22.916 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 999 4.875 21.926 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 999 6.695 25.129 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 999 8.173 24.360 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 999 6.682 24.349 -5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 999 3.433 23.853 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 999 4.912 23.952 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 999 4.745 24.958 -3.319 1.00 0.00 H new ATOM 1219 N PRO A1000 9.237 21.797 -6.034 1.00 0.00 N ATOM 1220 CA PRO A1000 10.678 21.839 -6.324 1.00 0.00 C ATOM 1221 C PRO A1000 11.348 23.163 -5.924 1.00 0.00 C ATOM 1222 O PRO A1000 10.759 24.234 -6.085 1.00 0.00 O ATOM 1223 CB PRO A1000 10.753 21.642 -7.842 1.00 0.00 C ATOM 1224 CG PRO A1000 9.409 22.020 -8.352 1.00 0.00 C ATOM 1225 CD PRO A1000 8.439 21.658 -7.267 1.00 0.00 C ATOM 0 HA PRO A1000 11.211 21.081 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A1000 11.531 22.266 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A1000 10.993 20.609 -8.093 1.00 0.00 H new ATOM 0 HG2 PRO A1000 9.363 23.085 -8.577 1.00 0.00 H new ATOM 0 HG3 PRO A1000 9.178 21.488 -9.275 1.00 0.00 H new ATOM 0 HD2 PRO A1000 7.575 22.322 -7.263 1.00 0.00 H new ATOM 0 HD3 PRO A1000 8.061 20.643 -7.388 1.00 0.00 H new ATOM 1233 N PRO A1001 12.577 23.098 -5.373 1.00 0.00 N ATOM 1234 CA PRO A1001 13.269 21.842 -5.123 1.00 0.00 C ATOM 1235 C PRO A1001 12.707 21.138 -3.911 1.00 0.00 C ATOM 1236 O PRO A1001 12.239 21.775 -2.963 1.00 0.00 O ATOM 1237 CB PRO A1001 14.723 22.226 -4.871 1.00 0.00 C ATOM 1238 CG PRO A1001 14.797 23.696 -5.032 1.00 0.00 C ATOM 1239 CD PRO A1001 13.392 24.240 -4.960 1.00 0.00 C ATOM 0 HA PRO A1001 13.157 21.157 -5.964 1.00 0.00 H new ATOM 0 HB2 PRO A1001 15.036 21.928 -3.870 1.00 0.00 H new ATOM 0 HB3 PRO A1001 15.386 21.724 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A1001 15.417 24.135 -4.250 1.00 0.00 H new ATOM 0 HG3 PRO A1001 15.258 23.953 -5.986 1.00 0.00 H new ATOM 0 HD2 PRO A1001 13.139 24.574 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A1001 13.255 25.094 -5.623 1.00 0.00 H new ATOM 1247 N ASP A1002 12.788 19.837 -3.939 1.00 0.00 N ATOM 1248 CA ASP A1002 12.152 19.007 -2.922 1.00 0.00 C ATOM 1249 C ASP A1002 12.591 17.557 -3.121 1.00 0.00 C ATOM 1250 O ASP A1002 13.647 17.307 -3.706 1.00 0.00 O ATOM 1251 CB ASP A1002 10.627 19.142 -3.069 1.00 0.00 C ATOM 1252 CG ASP A1002 9.867 18.713 -1.838 1.00 0.00 C ATOM 1253 OD1 ASP A1002 9.662 19.540 -0.928 1.00 0.00 O ATOM 1254 OD2 ASP A1002 9.458 17.551 -1.756 1.00 0.00 O ATOM 0 H ASP A1002 13.290 19.313 -4.656 1.00 0.00 H new ATOM 0 HA ASP A1002 12.443 19.324 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A1002 10.382 20.180 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A1002 10.297 18.544 -3.918 1.00 0.00 H new ATOM 1259 N HIS A1003 11.774 16.612 -2.696 1.00 0.00 N ATOM 1260 CA HIS A1003 12.075 15.197 -2.784 1.00 0.00 C ATOM 1261 C HIS A1003 10.806 14.398 -2.886 1.00 0.00 C ATOM 1262 O HIS A1003 10.397 13.996 -3.979 1.00 0.00 O ATOM 1263 CB HIS A1003 12.929 14.690 -1.614 1.00 0.00 C ATOM 1264 CG HIS A1003 14.380 14.792 -1.896 1.00 0.00 C ATOM 1265 ND1 HIS A1003 15.315 15.239 -1.002 1.00 0.00 N ATOM 1266 CD2 HIS A1003 15.041 14.471 -3.016 1.00 0.00 C ATOM 1267 CE1 HIS A1003 16.504 15.193 -1.565 1.00 0.00 C ATOM 1268 NE2 HIS A1003 16.369 14.730 -2.795 1.00 0.00 N ATOM 0 H HIS A1003 10.867 16.810 -2.273 1.00 0.00 H new ATOM 0 HA HIS A1003 12.668 15.060 -3.688 1.00 0.00 H new ATOM 0 HB2 HIS A1003 12.693 15.265 -0.718 1.00 0.00 H new ATOM 0 HB3 HIS A1003 12.674 13.652 -1.403 1.00 0.00 H new ATOM 0 HD2 HIS A1003 14.608 14.080 -3.925 1.00 0.00 H new ATOM 0 HE1 HIS A1003 17.434 15.485 -1.100 1.00 0.00 H new ATOM 0 HE2 HIS A1003 17.124 14.589 -3.466 1.00 0.00 H new ATOM 1277 N LYS A1004 10.199 14.143 -1.755 1.00 0.00 N ATOM 1278 CA LYS A1004 8.953 13.429 -1.713 1.00 0.00 C ATOM 1279 C LYS A1004 7.985 14.248 -0.875 1.00 0.00 C ATOM 1280 O LYS A1004 8.440 15.008 -0.012 1.00 0.00 O ATOM 1281 CB LYS A1004 9.133 12.091 -1.004 1.00 0.00 C ATOM 1282 CG LYS A1004 10.231 11.193 -1.534 1.00 0.00 C ATOM 1283 CD LYS A1004 10.497 10.126 -0.498 1.00 0.00 C ATOM 1284 CE LYS A1004 11.557 9.127 -0.915 1.00 0.00 C ATOM 1285 NZ LYS A1004 11.919 8.237 0.214 1.00 0.00 N ATOM 0 H LYS A1004 10.555 14.424 -0.841 1.00 0.00 H new ATOM 0 HA LYS A1004 8.594 13.266 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A1004 9.330 12.286 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A1004 8.190 11.546 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A1004 9.931 10.741 -2.479 1.00 0.00 H new ATOM 0 HG3 LYS A1004 11.135 11.770 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A1004 10.805 10.603 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A1004 9.569 9.593 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A1004 11.191 8.530 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A1004 12.443 9.656 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 12.242 7.321 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 12.681 8.674 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 11.087 8.091 0.821 1.00 0.00 H new ATOM 1299 N PRO A1005 6.672 14.111 -1.085 1.00 0.00 N ATOM 1300 CA PRO A1005 5.683 14.767 -0.236 1.00 0.00 C ATOM 1301 C PRO A1005 5.883 14.404 1.227 1.00 0.00 C ATOM 1302 O PRO A1005 5.931 13.228 1.596 1.00 0.00 O ATOM 1303 CB PRO A1005 4.351 14.213 -0.723 1.00 0.00 C ATOM 1304 CG PRO A1005 4.606 13.770 -2.115 1.00 0.00 C ATOM 1305 CD PRO A1005 6.047 13.336 -2.165 1.00 0.00 C ATOM 0 HA PRO A1005 5.751 15.853 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.017 13.384 -0.100 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.571 14.973 -0.687 1.00 0.00 H new ATOM 0 HG2 PRO A1005 3.943 12.949 -2.389 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.419 14.579 -2.821 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.150 12.263 -2.002 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.500 13.556 -3.132 1.00 0.00 H new ATOM 1313 N LYS A1006 6.016 15.421 2.045 1.00 0.00 N ATOM 1314 CA LYS A1006 6.221 15.239 3.473 1.00 0.00 C ATOM 1315 C LYS A1006 4.922 15.438 4.219 1.00 0.00 C ATOM 1316 O LYS A1006 4.880 15.443 5.450 1.00 0.00 O ATOM 1317 CB LYS A1006 7.290 16.207 3.982 1.00 0.00 C ATOM 1318 CG LYS A1006 7.054 17.662 3.602 1.00 0.00 C ATOM 1319 CD LYS A1006 8.171 18.551 4.112 1.00 0.00 C ATOM 1320 CE LYS A1006 8.131 19.942 3.493 1.00 0.00 C ATOM 1321 NZ LYS A1006 6.845 20.639 3.716 1.00 0.00 N ATOM 0 H LYS A1006 5.986 16.396 1.747 1.00 0.00 H new ATOM 0 HA LYS A1006 6.566 14.221 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A1006 7.343 16.132 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A1006 8.259 15.895 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A1006 6.982 17.750 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A1006 6.102 17.998 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A1006 8.098 18.636 5.196 1.00 0.00 H new ATOM 0 HD3 LYS A1006 9.132 18.086 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A1006 8.940 20.542 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A1006 8.313 19.862 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 6.913 21.615 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 6.087 20.139 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 6.630 20.654 4.733 1.00 0.00 H new ATOM 1335 N SER A1007 3.869 15.636 3.468 1.00 0.00 N ATOM 1336 CA SER A1007 2.580 15.861 4.047 1.00 0.00 C ATOM 1337 C SER A1007 1.499 15.187 3.206 1.00 0.00 C ATOM 1338 O SER A1007 1.377 15.434 2.005 1.00 0.00 O ATOM 1339 CB SER A1007 2.382 17.377 4.185 1.00 0.00 C ATOM 1340 OG SER A1007 1.124 17.722 4.742 1.00 0.00 O ATOM 0 H SER A1007 3.885 15.645 2.448 1.00 0.00 H new ATOM 0 HA SER A1007 2.507 15.415 5.039 1.00 0.00 H new ATOM 0 HB2 SER A1007 3.175 17.786 4.811 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.479 17.842 3.204 1.00 0.00 H new ATOM 0 HG SER A1007 1.052 18.697 4.809 1.00 0.00 H new ATOM 1346 N TRP A1008 0.756 14.320 3.876 1.00 0.00 N ATOM 1347 CA TRP A1008 -0.340 13.540 3.317 1.00 0.00 C ATOM 1348 C TRP A1008 -1.577 13.859 4.137 1.00 0.00 C ATOM 1349 O TRP A1008 -1.520 13.903 5.372 1.00 0.00 O ATOM 1350 CB TRP A1008 -0.006 12.053 3.394 1.00 0.00 C ATOM 1351 CG TRP A1008 1.291 11.748 2.747 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.498 11.724 3.353 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.517 11.447 1.366 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.461 11.418 2.449 1.00 0.00 N ATOM 1355 CE2 TRP A1008 2.894 11.236 1.218 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.692 11.329 0.244 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.474 10.911 -0.005 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.264 11.006 -0.971 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.643 10.800 -1.087 1.00 0.00 C ATOM 0 H TRP A1008 0.906 14.132 4.867 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.508 13.786 2.269 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.026 11.741 4.438 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.797 11.477 2.913 1.00 0.00 H new ATOM 0 HD1 TRP A1008 2.670 11.919 4.401 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.456 11.336 2.656 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.373 11.487 0.326 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.538 10.753 -0.097 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.637 10.911 -1.845 1.00 0.00 H new ATOM 0 HH2 TRP A1008 3.061 10.548 -2.051 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.665 14.123 3.454 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.948 14.490 4.046 1.00 0.00 C ATOM 1372 C VAL A1009 -5.007 13.857 3.180 1.00 0.00 C ATOM 1373 O VAL A1009 -4.680 12.955 2.423 1.00 0.00 O ATOM 1374 CB VAL A1009 -4.159 16.029 4.124 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -3.234 16.658 5.154 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -3.955 16.694 2.768 1.00 0.00 C ATOM 0 H VAL A1009 -2.692 14.090 2.435 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.993 14.137 5.076 1.00 0.00 H new ATOM 0 HB VAL A1009 -5.191 16.193 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -3.404 17.734 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -3.437 16.229 6.135 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -2.197 16.462 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -4.111 17.769 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -2.940 16.504 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -4.668 16.286 2.052 1.00 0.00 H new ATOM 1386 N ALA A1010 -6.254 14.240 3.278 1.00 0.00 N ATOM 1387 CA ALA A1010 -7.226 13.698 2.362 1.00 0.00 C ATOM 1388 C ALA A1010 -7.349 14.596 1.141 1.00 0.00 C ATOM 1389 O ALA A1010 -7.413 14.099 0.015 1.00 0.00 O ATOM 1390 CB ALA A1010 -8.570 13.527 3.048 1.00 0.00 C ATOM 0 H ALA A1010 -6.614 14.906 3.962 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.890 12.714 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -9.290 13.117 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -8.463 12.846 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.922 14.495 3.404 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.221 15.911 1.370 1.00 0.00 N ATOM 1397 CA ALA A1011 -7.480 16.914 0.343 1.00 0.00 C ATOM 1398 C ALA A1011 -7.460 18.314 0.904 1.00 0.00 C ATOM 1399 O ALA A1011 -7.379 18.480 2.118 1.00 0.00 O ATOM 1400 CB ALA A1011 -8.834 16.691 -0.300 1.00 0.00 C ATOM 0 H ALA A1011 -6.937 16.301 2.269 1.00 0.00 H new ATOM 0 HA ALA A1011 -6.685 16.808 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -9.004 17.451 -1.062 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -8.860 15.703 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -9.613 16.758 0.460 1.00 0.00 H new ATOM 1406 N GLU A1012 -7.539 19.274 -0.035 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.655 20.712 0.220 1.00 0.00 C ATOM 1408 C GLU A1012 -7.247 21.556 -0.983 1.00 0.00 C ATOM 1409 O GLU A1012 -8.067 22.269 -1.549 1.00 0.00 O ATOM 1410 CB GLU A1012 -6.888 21.211 1.464 1.00 0.00 C ATOM 1411 CG GLU A1012 -5.399 20.923 1.500 1.00 0.00 C ATOM 1412 CD GLU A1012 -4.762 21.507 2.733 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -4.397 22.693 2.722 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -4.658 20.795 3.741 1.00 0.00 O ATOM 0 H GLU A1012 -7.523 19.055 -1.031 1.00 0.00 H new ATOM 0 HA GLU A1012 -8.719 20.844 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -7.029 22.289 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -7.344 20.765 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -5.233 19.846 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -4.924 21.337 0.611 1.00 0.00 H new ATOM 1421 N LYS A1013 -5.993 21.452 -1.409 1.00 0.00 N ATOM 1422 CA LYS A1013 -5.453 22.430 -2.332 1.00 0.00 C ATOM 1423 C LYS A1013 -4.754 21.803 -3.517 1.00 0.00 C ATOM 1424 O LYS A1013 -4.150 20.728 -3.412 1.00 0.00 O ATOM 1425 CB LYS A1013 -4.481 23.333 -1.590 1.00 0.00 C ATOM 1426 CG LYS A1013 -5.128 24.114 -0.470 1.00 0.00 C ATOM 1427 CD LYS A1013 -4.126 24.979 0.261 1.00 0.00 C ATOM 1428 CE LYS A1013 -4.801 25.820 1.327 1.00 0.00 C ATOM 1429 NZ LYS A1013 -5.591 25.002 2.281 1.00 0.00 N ATOM 0 H LYS A1013 -5.346 20.713 -1.134 1.00 0.00 H new ATOM 0 HA LYS A1013 -6.294 23.001 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -3.672 22.727 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -4.031 24.030 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -5.922 24.741 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -5.594 23.424 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -3.364 24.349 0.720 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -3.616 25.629 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -4.045 26.382 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -5.456 26.549 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -5.848 25.582 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -6.456 24.662 1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -5.024 24.188 2.593 1.00 0.00 H new ATOM 1443 N MET A1014 -4.819 22.528 -4.616 1.00 0.00 N ATOM 1444 CA MET A1014 -4.231 22.162 -5.891 1.00 0.00 C ATOM 1445 C MET A1014 -2.719 22.104 -5.840 1.00 0.00 C ATOM 1446 O MET A1014 -2.109 21.387 -6.633 1.00 0.00 O ATOM 1447 CB MET A1014 -4.685 23.153 -6.944 1.00 0.00 C ATOM 1448 CG MET A1014 -4.059 22.966 -8.317 1.00 0.00 C ATOM 1449 SD MET A1014 -4.639 24.184 -9.516 1.00 0.00 S ATOM 1450 CE MET A1014 -4.014 25.696 -8.785 1.00 0.00 C ATOM 0 H MET A1014 -5.303 23.425 -4.647 1.00 0.00 H new ATOM 0 HA MET A1014 -4.571 21.158 -6.143 1.00 0.00 H new ATOM 0 HB2 MET A1014 -5.768 23.084 -7.043 1.00 0.00 H new ATOM 0 HB3 MET A1014 -4.461 24.160 -6.594 1.00 0.00 H new ATOM 0 HG2 MET A1014 -2.975 23.035 -8.230 1.00 0.00 H new ATOM 0 HG3 MET A1014 -4.287 21.965 -8.683 1.00 0.00 H new ATOM 0 HE1 MET A1014 -3.951 26.471 -9.549 1.00 0.00 H new ATOM 0 HE2 MET A1014 -4.687 26.022 -7.992 1.00 0.00 H new ATOM 0 HE3 MET A1014 -3.023 25.516 -8.368 1.00 0.00 H new ATOM 1460 N TYR A1015 -2.105 22.820 -4.901 1.00 0.00 N ATOM 1461 CA TYR A1015 -0.658 22.756 -4.717 1.00 0.00 C ATOM 1462 C TYR A1015 -0.192 21.362 -4.358 1.00 0.00 C ATOM 1463 O TYR A1015 1.009 21.095 -4.346 1.00 0.00 O ATOM 1464 CB TYR A1015 -0.173 23.720 -3.645 1.00 0.00 C ATOM 1465 CG TYR A1015 -0.407 25.182 -3.926 1.00 0.00 C ATOM 1466 CD1 TYR A1015 0.193 25.806 -5.011 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -1.187 25.947 -3.073 1.00 0.00 C ATOM 1468 CE1 TYR A1015 0.020 27.155 -5.239 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -1.372 27.294 -3.300 1.00 0.00 C ATOM 1470 CZ TYR A1015 -0.764 27.893 -4.381 1.00 0.00 C ATOM 1471 OH TYR A1015 -0.919 29.245 -4.587 1.00 0.00 O ATOM 0 H TYR A1015 -2.585 23.449 -4.258 1.00 0.00 H new ATOM 0 HA TYR A1015 -0.229 23.043 -5.677 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -0.664 23.466 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A1015 0.896 23.564 -3.498 1.00 0.00 H new ATOM 0 HD1 TYR A1015 0.804 25.226 -5.687 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -1.656 25.481 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR A1015 0.496 27.629 -6.085 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -1.991 27.877 -2.634 1.00 0.00 H new ATOM 0 HH TYR A1015 -1.503 29.617 -3.894 1.00 0.00 H new ATOM 1481 N HIS A1016 -1.119 20.450 -4.122 1.00 0.00 N ATOM 1482 CA HIS A1016 -0.780 19.102 -3.781 1.00 0.00 C ATOM 1483 C HIS A1016 -0.713 18.372 -5.116 1.00 0.00 C ATOM 1484 O HIS A1016 -1.749 18.153 -5.748 1.00 0.00 O ATOM 1485 CB HIS A1016 -1.890 18.542 -2.895 1.00 0.00 C ATOM 1486 CG HIS A1016 -1.842 18.851 -1.430 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -1.157 18.258 -0.444 1.00 0.00 N flip ATOM 1488 CD2 HIS A1016 -2.765 19.661 -0.812 1.00 0.00 C flip ATOM 1489 CE1 HIS A1016 -1.687 18.676 0.741 1.00 0.00 C flip ATOM 1490 NE2 HIS A1016 -2.664 19.512 0.500 1.00 0.00 N flip ATOM 0 H HIS A1016 -2.121 20.634 -4.164 1.00 0.00 H new ATOM 0 HA HIS A1016 0.159 19.004 -3.236 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -2.842 18.905 -3.282 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -1.893 17.458 -3.008 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -3.461 20.315 -1.316 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -1.354 18.367 1.721 1.00 0.00 H new ATOM 0 HE2 HIS A1016 -3.247 19.970 1.201 1.00 0.00 H new ATOM 1499 N THR A1017 0.484 18.066 -5.566 1.00 0.00 N ATOM 1500 CA THR A1017 0.706 17.574 -6.916 1.00 0.00 C ATOM 1501 C THR A1017 0.880 16.054 -6.990 1.00 0.00 C ATOM 1502 O THR A1017 0.930 15.479 -8.066 1.00 0.00 O ATOM 1503 CB THR A1017 1.958 18.267 -7.480 1.00 0.00 C ATOM 1504 OG1 THR A1017 3.014 18.208 -6.502 1.00 0.00 O ATOM 1505 CG2 THR A1017 1.670 19.721 -7.829 1.00 0.00 C ATOM 0 H THR A1017 1.334 18.150 -5.009 1.00 0.00 H new ATOM 0 HA THR A1017 -0.182 17.807 -7.504 1.00 0.00 H new ATOM 0 HB THR A1017 2.259 17.750 -8.391 1.00 0.00 H new ATOM 0 HG1 THR A1017 3.814 18.647 -6.858 1.00 0.00 H new ATOM 0 HG21 THR A1017 2.573 20.186 -8.225 1.00 0.00 H new ATOM 0 HG22 THR A1017 0.880 19.766 -8.579 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.351 20.254 -6.933 1.00 0.00 H new ATOM 1513 N HIS A1018 0.941 15.407 -5.852 1.00 0.00 N ATOM 1514 CA HIS A1018 1.218 13.962 -5.789 1.00 0.00 C ATOM 1515 C HIS A1018 0.193 13.255 -4.931 1.00 0.00 C ATOM 1516 O HIS A1018 -0.285 13.810 -3.955 1.00 0.00 O ATOM 1517 CB HIS A1018 2.623 13.667 -5.236 1.00 0.00 C ATOM 1518 CG HIS A1018 3.751 13.888 -6.201 1.00 0.00 C ATOM 1519 ND1 HIS A1018 3.890 14.772 -7.209 1.00 0.00 N flip ATOM 1520 CD2 HIS A1018 4.937 13.178 -6.160 1.00 0.00 C flip ATOM 1521 CE1 HIS A1018 5.134 14.594 -7.747 1.00 0.00 C flip ATOM 1522 NE2 HIS A1018 5.747 13.629 -7.099 1.00 0.00 N flip ATOM 0 H HIS A1018 0.804 15.847 -4.942 1.00 0.00 H new ATOM 0 HA HIS A1018 1.163 13.590 -6.812 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.789 14.293 -4.359 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.653 12.631 -4.899 1.00 0.00 H new ATOM 0 HD2 HIS A1018 5.164 12.380 -5.468 1.00 0.00 H new ATOM 0 HE1 HIS A1018 5.547 15.156 -8.572 1.00 0.00 H new ATOM 0 HE2 HIS A1018 6.689 13.287 -7.289 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.200 12.061 -5.318 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.146 11.291 -4.535 1.00 0.00 C ATOM 1533 C ARG A1019 -0.899 9.802 -4.744 1.00 0.00 C ATOM 1534 O ARG A1019 -0.461 9.380 -5.808 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.581 11.679 -4.928 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.673 10.830 -4.306 1.00 0.00 C ATOM 1537 CD ARG A1019 -5.046 11.334 -4.684 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.697 12.085 -3.606 1.00 0.00 N ATOM 1539 CZ ARG A1019 -7.023 12.303 -3.531 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.815 12.027 -4.560 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -7.563 12.809 -2.427 1.00 0.00 N ATOM 0 H ARG A1019 0.120 11.601 -6.170 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.011 11.511 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -2.748 12.719 -4.649 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.672 11.621 -6.013 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -3.561 9.796 -4.631 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -3.567 10.836 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -4.964 11.971 -5.565 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -5.674 10.487 -4.961 1.00 0.00 H new ATOM 0 HE ARG A1019 -5.108 12.466 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.420 11.645 -5.420 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.818 12.197 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -6.971 13.036 -1.628 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -8.569 12.971 -2.379 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.140 9.029 -3.710 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.004 7.583 -3.747 1.00 0.00 C ATOM 1557 C ARG A1020 -2.016 7.020 -2.803 1.00 0.00 C ATOM 1558 O ARG A1020 -2.619 7.755 -2.072 1.00 0.00 O ATOM 1559 CB ARG A1020 0.398 7.103 -3.362 1.00 0.00 C ATOM 1560 CG ARG A1020 0.848 7.494 -1.966 1.00 0.00 C ATOM 1561 CD ARG A1020 2.219 6.926 -1.660 1.00 0.00 C ATOM 1562 NE ARG A1020 3.180 7.270 -2.709 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.428 7.676 -2.511 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.929 7.755 -1.281 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.176 7.982 -3.565 1.00 0.00 N ATOM 0 H ARG A1020 -1.441 9.388 -2.804 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.167 7.240 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.430 6.017 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A1020 1.113 7.500 -4.083 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.872 8.580 -1.878 1.00 0.00 H new ATOM 0 HG3 ARG A1020 0.128 7.131 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.569 7.310 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A1020 2.154 5.842 -1.564 1.00 0.00 H new ATOM 0 HE ARG A1020 2.863 7.191 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A1020 4.353 7.502 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.889 8.068 -1.141 1.00 0.00 H new ATOM 0 HH21 ARG A1020 4.789 7.903 -4.505 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.138 8.296 -3.434 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.245 5.756 -2.883 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.214 5.088 -2.043 1.00 0.00 C ATOM 1581 C ARG A1021 -2.749 3.692 -1.731 1.00 0.00 C ATOM 1582 O ARG A1021 -2.042 3.097 -2.532 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.572 5.036 -2.724 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.559 4.518 -4.155 1.00 0.00 C ATOM 1585 CD ARG A1021 -5.968 4.404 -4.657 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.995 4.197 -6.091 1.00 0.00 N ATOM 1587 CZ ARG A1021 -7.041 3.688 -6.747 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -8.089 3.250 -6.062 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -7.033 3.613 -8.073 1.00 0.00 N ATOM 0 H ARG A1021 -1.766 5.137 -3.537 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.311 5.653 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.234 4.404 -2.132 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -5.001 6.038 -2.721 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.988 5.193 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -4.067 3.546 -4.197 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.470 3.575 -4.157 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.521 5.309 -4.406 1.00 0.00 H new ATOM 0 HE ARG A1021 -5.168 4.455 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -8.091 3.304 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.893 2.860 -6.554 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -6.224 3.945 -8.598 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -7.836 3.223 -8.567 1.00 0.00 H new ATOM 1603 N ARG A1022 -3.141 3.177 -0.588 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.748 1.856 -0.184 1.00 0.00 C ATOM 1605 C ARG A1022 -3.727 0.809 -0.684 1.00 0.00 C ATOM 1606 O ARG A1022 -4.940 0.947 -0.509 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.697 1.773 1.333 1.00 0.00 C ATOM 1608 CG ARG A1022 -2.542 0.356 1.840 1.00 0.00 C ATOM 1609 CD ARG A1022 -2.714 0.289 3.332 1.00 0.00 C ATOM 1610 NE ARG A1022 -1.637 0.942 4.031 1.00 0.00 N ATOM 1611 CZ ARG A1022 -1.610 1.095 5.354 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -2.728 0.936 6.070 1.00 0.00 N ATOM 1613 NH2 ARG A1022 -0.487 1.458 5.948 1.00 0.00 N ATOM 0 H ARG A1022 -3.738 3.663 0.081 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.766 1.661 -0.614 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.866 2.377 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.609 2.204 1.746 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -3.277 -0.288 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -1.558 -0.025 1.568 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -3.660 0.754 3.609 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -2.768 -0.754 3.644 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.856 1.306 3.485 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -3.603 0.697 5.603 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -2.706 1.053 7.083 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.354 1.620 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -0.461 1.577 6.961 1.00 0.00 H new ATOM 1627 N LEU A1023 -3.193 -0.211 -1.311 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.938 -1.409 -1.576 1.00 0.00 C ATOM 1629 C LEU A1023 -3.421 -2.422 -0.590 1.00 0.00 C ATOM 1630 O LEU A1023 -2.218 -2.491 -0.336 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.740 -1.956 -2.983 1.00 0.00 C ATOM 1632 CG LEU A1023 -4.026 -0.999 -4.127 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.707 -1.664 -5.454 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.482 -0.568 -4.086 1.00 0.00 C ATOM 0 H LEU A1023 -2.231 -0.230 -1.650 1.00 0.00 H new ATOM 0 HA LEU A1023 -5.003 -1.197 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.709 -2.299 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -4.379 -2.831 -3.102 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.396 -0.116 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.915 -0.970 -6.268 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.654 -1.944 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.322 -2.556 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.682 0.118 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -6.124 -1.444 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.687 -0.069 -3.139 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.313 -3.161 -0.025 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.970 -4.124 0.995 1.00 0.00 C ATOM 1648 C VAL A1024 -4.193 -5.529 0.535 1.00 0.00 C ATOM 1649 O VAL A1024 -5.129 -5.833 -0.202 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.725 -3.933 2.332 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -4.234 -2.709 3.063 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.229 -3.849 2.121 1.00 0.00 C ATOM 0 H VAL A1024 -5.307 -3.123 -0.250 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.911 -3.943 1.177 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.518 -4.811 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.782 -2.600 3.999 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -3.170 -2.815 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.394 -1.827 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.724 -3.715 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.459 -3.003 1.473 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.583 -4.769 1.656 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.283 -6.355 0.936 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.403 -7.779 0.732 1.00 0.00 C ATOM 1664 C ARG A1025 -2.926 -8.443 2.008 1.00 0.00 C ATOM 1665 O ARG A1025 -1.735 -8.501 2.265 1.00 0.00 O ATOM 1666 CB ARG A1025 -2.544 -8.229 -0.441 1.00 0.00 C ATOM 1667 CG ARG A1025 -2.800 -9.642 -0.943 1.00 0.00 C ATOM 1668 CD ARG A1025 -4.051 -9.741 -1.797 1.00 0.00 C ATOM 1669 NE ARG A1025 -4.220 -11.096 -2.343 1.00 0.00 N ATOM 1670 CZ ARG A1025 -3.872 -11.473 -3.584 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -3.453 -10.568 -4.457 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -3.970 -12.748 -3.951 1.00 0.00 N ATOM 0 H ARG A1025 -2.430 -6.070 1.417 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.434 -8.050 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -2.699 -7.536 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -1.496 -8.150 -0.151 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -1.941 -9.978 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -2.892 -10.315 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -4.923 -9.476 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -3.994 -9.022 -2.614 1.00 0.00 H new ATOM 0 HE ARG A1025 -4.632 -11.802 -1.733 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -3.395 -9.586 -4.186 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -3.188 -10.853 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -4.311 -13.445 -3.288 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -3.704 -13.029 -4.895 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.841 -8.871 2.844 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.453 -9.479 4.099 1.00 0.00 C ATOM 1688 C LYS A1026 -2.920 -10.879 3.795 1.00 0.00 C ATOM 1689 O LYS A1026 -3.411 -11.554 2.875 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.656 -9.458 5.057 1.00 0.00 C ATOM 1691 CG LYS A1026 -4.303 -9.535 6.534 1.00 0.00 C ATOM 1692 CD LYS A1026 -4.064 -10.945 7.018 1.00 0.00 C ATOM 1693 CE LYS A1026 -5.259 -11.486 7.810 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.502 -11.677 7.012 1.00 0.00 N ATOM 0 H LYS A1026 -4.847 -8.812 2.684 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.656 -8.931 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -5.225 -8.545 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.311 -10.294 4.811 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -3.410 -8.939 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -5.109 -9.090 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -3.870 -11.594 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.172 -10.968 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -4.980 -12.441 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -5.473 -10.802 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -7.306 -11.830 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -6.677 -10.831 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.392 -12.504 6.391 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.943 -11.324 4.562 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.222 -12.546 4.261 1.00 0.00 C ATOM 1710 C ARG A1027 -0.954 -13.196 5.578 1.00 0.00 C ATOM 1711 O ARG A1027 -1.147 -12.561 6.587 1.00 0.00 O ATOM 1712 CB ARG A1027 0.090 -12.265 3.489 1.00 0.00 C ATOM 1713 CG ARG A1027 1.028 -11.267 4.160 1.00 0.00 C ATOM 1714 CD ARG A1027 2.132 -10.763 3.229 1.00 0.00 C ATOM 1715 NE ARG A1027 3.209 -11.719 2.973 1.00 0.00 N ATOM 1716 CZ ARG A1027 4.421 -11.324 2.558 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.582 -10.160 1.962 1.00 0.00 N ATOM 1718 NH2 ARG A1027 5.479 -12.105 2.674 1.00 0.00 N ATOM 0 H ARG A1027 -1.628 -10.850 5.409 1.00 0.00 H new ATOM 0 HA ARG A1027 -1.807 -13.195 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.622 -13.206 3.352 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.162 -11.893 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.448 -10.417 4.520 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.483 -11.735 5.033 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.683 -10.481 2.277 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.564 -9.859 3.658 1.00 0.00 H new ATOM 0 HE ARG A1027 3.033 -12.714 3.114 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.780 -9.549 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.509 -9.870 1.651 1.00 0.00 H new ATOM 0 HH21 ARG A1027 5.385 -13.033 3.087 1.00 0.00 H new ATOM 0 HH22 ARG A1027 6.390 -11.781 2.350 1.00 0.00 H new ATOM 1732 N LYS A1028 -0.555 -14.429 5.581 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.311 -15.146 6.806 1.00 0.00 C ATOM 1734 C LYS A1028 0.646 -16.269 6.569 1.00 0.00 C ATOM 1735 O LYS A1028 0.759 -16.769 5.479 1.00 0.00 O ATOM 1736 CB LYS A1028 -1.599 -15.699 7.387 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.463 -16.390 6.367 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.724 -16.930 6.983 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.436 -15.913 7.861 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.762 -16.403 8.303 1.00 0.00 N ATOM 0 H LYS A1028 -0.387 -14.974 4.735 1.00 0.00 H new ATOM 0 HA LYS A1028 0.119 -14.442 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -1.358 -16.402 8.184 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.164 -14.885 7.840 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -2.717 -15.690 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -1.904 -17.205 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.399 -17.255 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.483 -17.811 7.578 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -3.821 -15.691 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.558 -14.980 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.246 -15.657 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.334 -16.655 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -5.639 -17.242 8.906 1.00 0.00 H new ATOM 1754 N LYS A1029 1.306 -16.659 7.615 1.00 0.00 N ATOM 1755 CA LYS A1029 2.291 -17.725 7.563 1.00 0.00 C ATOM 1756 C LYS A1029 1.534 -19.035 7.682 1.00 0.00 C ATOM 1757 O LYS A1029 1.976 -20.110 7.266 1.00 0.00 O ATOM 1758 CB LYS A1029 3.216 -17.565 8.762 1.00 0.00 C ATOM 1759 CG LYS A1029 4.594 -18.138 8.577 1.00 0.00 C ATOM 1760 CD LYS A1029 5.466 -17.890 9.794 1.00 0.00 C ATOM 1761 CE LYS A1029 5.563 -16.413 10.122 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.411 -16.163 11.312 1.00 0.00 N ATOM 0 H LYS A1029 1.184 -16.251 8.542 1.00 0.00 H new ATOM 0 HA LYS A1029 2.873 -17.700 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.307 -16.504 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.753 -18.041 9.626 1.00 0.00 H new ATOM 0 HG2 LYS A1029 4.522 -19.210 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A1029 5.059 -17.693 7.698 1.00 0.00 H new ATOM 0 HD2 LYS A1029 5.057 -18.427 10.650 1.00 0.00 H new ATOM 0 HD3 LYS A1029 6.464 -18.289 9.614 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.973 -15.878 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.564 -16.014 10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 6.451 -15.141 11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.006 -16.652 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.372 -16.520 11.135 1.00 0.00 H new ATOM 1776 N ASP A1030 0.342 -18.855 8.246 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.600 -19.895 8.677 1.00 0.00 C ATOM 1778 C ASP A1030 0.104 -21.033 9.432 1.00 0.00 C ATOM 1779 O ASP A1030 -0.399 -22.151 9.533 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.414 -20.408 7.485 1.00 0.00 C ATOM 1781 CG ASP A1030 -2.656 -21.146 7.934 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -3.430 -20.586 8.747 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -2.904 -22.268 7.463 1.00 0.00 O ATOM 0 H ASP A1030 -0.019 -17.918 8.428 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.295 -19.446 9.387 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -1.698 -19.569 6.850 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -0.795 -21.071 6.880 1.00 0.00 H new ATOM 1788 N LEU A1031 1.264 -20.693 9.990 1.00 0.00 N ATOM 1789 CA LEU A1031 2.162 -21.557 10.751 1.00 0.00 C ATOM 1790 C LEU A1031 2.796 -22.674 9.908 1.00 0.00 C ATOM 1791 O LEU A1031 3.980 -22.977 10.057 1.00 0.00 O ATOM 1792 CB LEU A1031 1.460 -22.135 11.975 1.00 0.00 C ATOM 1793 CG LEU A1031 2.390 -22.808 12.974 1.00 0.00 C ATOM 1794 CD1 LEU A1031 3.310 -21.789 13.628 1.00 0.00 C ATOM 1795 CD2 LEU A1031 1.597 -23.578 14.015 1.00 0.00 C ATOM 0 H LEU A1031 1.625 -19.742 9.917 1.00 0.00 H new ATOM 0 HA LEU A1031 2.982 -20.920 11.082 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.921 -21.334 12.481 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.717 -22.860 11.644 1.00 0.00 H new ATOM 0 HG LEU A1031 3.012 -23.521 12.433 1.00 0.00 H new ATOM 0 HD11 LEU A1031 3.965 -22.293 14.338 1.00 0.00 H new ATOM 0 HD12 LEU A1031 3.912 -21.299 12.863 1.00 0.00 H new ATOM 0 HD13 LEU A1031 2.713 -21.043 14.152 1.00 0.00 H new ATOM 0 HD21 LEU A1031 2.283 -24.051 14.718 1.00 0.00 H new ATOM 0 HD22 LEU A1031 0.941 -22.893 14.552 1.00 0.00 H new ATOM 0 HD23 LEU A1031 0.997 -24.344 13.523 1.00 0.00 H new ATOM 1807 N THR A1032 2.022 -23.257 9.014 1.00 0.00 N ATOM 1808 CA THR A1032 2.457 -24.372 8.196 1.00 0.00 C ATOM 1809 C THR A1032 3.502 -23.950 7.153 1.00 0.00 C ATOM 1810 O THR A1032 4.282 -24.780 6.677 1.00 0.00 O ATOM 1811 CB THR A1032 1.235 -25.058 7.522 1.00 0.00 C ATOM 1812 OG1 THR A1032 1.638 -26.180 6.717 1.00 0.00 O ATOM 1813 CG2 THR A1032 0.448 -24.070 6.669 1.00 0.00 C ATOM 0 H THR A1032 1.061 -22.966 8.833 1.00 0.00 H new ATOM 0 HA THR A1032 2.942 -25.094 8.853 1.00 0.00 H new ATOM 0 HB THR A1032 0.592 -25.420 8.324 1.00 0.00 H new ATOM 0 HG1 THR A1032 0.847 -26.590 6.308 1.00 0.00 H new ATOM 0 HG21 THR A1032 -0.400 -24.579 6.211 1.00 0.00 H new ATOM 0 HG22 THR A1032 0.086 -23.255 7.296 1.00 0.00 H new ATOM 0 HG23 THR A1032 1.094 -23.668 5.889 1.00 0.00 H new ATOM 1821 N GLN A1033 3.549 -22.676 6.794 1.00 0.00 N ATOM 1822 CA GLN A1033 4.548 -22.253 5.837 1.00 0.00 C ATOM 1823 C GLN A1033 5.741 -21.606 6.496 1.00 0.00 C ATOM 1824 O GLN A1033 5.624 -20.753 7.366 1.00 0.00 O ATOM 1825 CB GLN A1033 4.012 -21.353 4.724 1.00 0.00 C ATOM 1826 CG GLN A1033 3.412 -22.126 3.566 1.00 0.00 C ATOM 1827 CD GLN A1033 3.361 -21.303 2.296 1.00 0.00 C ATOM 1828 OE1 GLN A1033 2.255 -20.651 2.047 1.00 0.00 O flip ATOM 1829 NE2 GLN A1033 4.316 -21.285 1.518 1.00 0.00 N flip ATOM 0 H GLN A1033 2.929 -21.943 7.139 1.00 0.00 H new ATOM 0 HA GLN A1033 4.868 -23.181 5.363 1.00 0.00 H new ATOM 0 HB2 GLN A1033 3.256 -20.686 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A1033 4.822 -20.725 4.352 1.00 0.00 H new ATOM 0 HG2 GLN A1033 3.999 -23.027 3.390 1.00 0.00 H new ATOM 0 HG3 GLN A1033 2.404 -22.448 3.829 1.00 0.00 H new ATOM 0 HE21 GLN A1033 5.165 -21.804 1.741 1.00 0.00 H new ATOM 0 HE22 GLN A1033 4.257 -20.751 0.651 1.00 0.00 H new