USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 618 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 Single : A 6 THR OG1 : rot 17:sc= 0.745 USER MOD Single : A 7 TYR OH : rot 80:sc= -3.32! USER MOD Single : A 9 MET CE :methyl -112:sc= -15.1! (180deg=-17.9!) USER MOD Single : A 17 THR OG1 : rot 17:sc= -0.393 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.42! C(o=-3.4!,f=-8.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc=-0.00679 X(o=-0.0068,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.15 K(o=1.2,f=-0.037) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 164:sc=-0.00599 (180deg=-0.119) USER MOD Single : A 65 CYS SG : rot -15:sc= 0.212 USER MOD Single : A 68 ASN : amide:sc= -15.6! C(o=-16!,f=-17!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -152:sc= -19.8! (180deg=-22.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -152:sc= -0.184 (180deg=-1.18) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.828 K(o=-0.83,f=-5.2!) USER MOD Single : A 105 ASN : amide:sc= -3.61! C(o=-3.6!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 6 -1.986 16.921 -5.572 1.00 0.00 N ATOM 68 CA THR A 6 -1.875 15.747 -4.722 1.00 0.00 C ATOM 69 C THR A 6 -2.737 14.608 -5.269 1.00 0.00 C ATOM 70 O THR A 6 -3.672 14.843 -6.033 1.00 0.00 O ATOM 71 CB THR A 6 -2.245 16.159 -3.297 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.441 17.568 -3.383 1.00 0.00 O ATOM 73 CG2 THR A 6 -1.078 16.006 -2.320 1.00 0.00 C ATOM 0 HA THR A 6 -0.855 15.363 -4.710 1.00 0.00 H new ATOM 0 HB THR A 6 -3.087 15.558 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.553 17.826 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.395 16.312 -1.323 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.759 14.964 -2.295 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.247 16.633 -2.645 1.00 0.00 H new ATOM 81 N TYR A 7 -2.391 13.397 -4.857 1.00 0.00 N ATOM 82 CA TYR A 7 -3.122 12.221 -5.296 1.00 0.00 C ATOM 83 C TYR A 7 -3.444 11.303 -4.116 1.00 0.00 C ATOM 84 O TYR A 7 -3.172 11.646 -2.966 1.00 0.00 O ATOM 85 CB TYR A 7 -2.193 11.483 -6.261 1.00 0.00 C ATOM 86 CG TYR A 7 -1.870 12.265 -7.536 1.00 0.00 C ATOM 87 CD1 TYR A 7 -2.879 12.903 -8.228 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.570 12.334 -7.993 1.00 0.00 C ATOM 89 CE1 TYR A 7 -2.577 13.640 -9.428 1.00 0.00 C ATOM 90 CE2 TYR A 7 -0.266 13.072 -9.191 1.00 0.00 C ATOM 91 CZ TYR A 7 -1.284 13.688 -9.850 1.00 0.00 C ATOM 92 OH TYR A 7 -0.997 14.383 -10.982 1.00 0.00 O ATOM 0 H TYR A 7 -1.614 13.205 -4.224 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.066 12.507 -5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.262 11.249 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.652 10.533 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.896 12.850 -7.869 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.220 11.834 -7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.358 14.142 -9.980 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.748 13.135 -9.558 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.950 15.340 -10.775 1.00 0.00 H new ATOM 101 N ARG A 8 -4.020 10.154 -4.439 1.00 0.00 N ATOM 102 CA ARG A 8 -4.383 9.185 -3.419 1.00 0.00 C ATOM 103 C ARG A 8 -3.877 7.793 -3.806 1.00 0.00 C ATOM 104 O ARG A 8 -3.740 7.486 -4.989 1.00 0.00 O ATOM 105 CB ARG A 8 -5.900 9.133 -3.223 1.00 0.00 C ATOM 106 CG ARG A 8 -6.565 8.307 -4.326 1.00 0.00 C ATOM 107 CD ARG A 8 -8.087 8.470 -4.288 1.00 0.00 C ATOM 108 NE ARG A 8 -8.554 9.155 -5.514 1.00 0.00 N ATOM 109 CZ ARG A 8 -9.814 9.567 -5.710 1.00 0.00 C ATOM 110 NH1 ARG A 8 -10.741 9.366 -4.762 1.00 0.00 N ATOM 111 NH2 ARG A 8 -10.148 10.180 -6.854 1.00 0.00 N ATOM 0 H ARG A 8 -4.244 9.872 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.918 9.498 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.130 8.700 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.306 10.145 -3.226 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.186 8.620 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.305 7.255 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.563 7.493 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.378 9.044 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.875 9.324 -6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.487 8.899 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.700 9.680 -4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.443 10.333 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.107 10.494 -7.003 1.00 0.00 H new ATOM 122 N MET A 9 -3.613 6.990 -2.787 1.00 0.00 N ATOM 123 CA MET A 9 -3.126 5.638 -3.004 1.00 0.00 C ATOM 124 C MET A 9 -4.086 4.606 -2.410 1.00 0.00 C ATOM 125 O MET A 9 -4.536 4.753 -1.275 1.00 0.00 O ATOM 126 CB MET A 9 -1.746 5.483 -2.360 1.00 0.00 C ATOM 127 CG MET A 9 -1.399 4.007 -2.161 1.00 0.00 C ATOM 128 SD MET A 9 0.268 3.851 -1.540 1.00 0.00 S ATOM 129 CE MET A 9 0.926 2.675 -2.711 1.00 0.00 C ATOM 0 H MET A 9 -3.727 7.250 -1.807 1.00 0.00 H new ATOM 0 HA MET A 9 -3.057 5.465 -4.078 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.992 5.956 -2.989 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.729 5.997 -1.399 1.00 0.00 H new ATOM 0 HG2 MET A 9 -2.100 3.551 -1.462 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.496 3.471 -3.105 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.123 1.730 -2.206 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.203 2.515 -3.511 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.854 3.061 -3.132 1.00 0.00 H new ATOM 137 N LEU A 10 -4.373 3.586 -3.205 1.00 0.00 N ATOM 138 CA LEU A 10 -5.272 2.530 -2.772 1.00 0.00 C ATOM 139 C LEU A 10 -4.469 1.255 -2.515 1.00 0.00 C ATOM 140 O LEU A 10 -3.604 0.891 -3.310 1.00 0.00 O ATOM 141 CB LEU A 10 -6.409 2.348 -3.781 1.00 0.00 C ATOM 142 CG LEU A 10 -6.190 2.973 -5.160 1.00 0.00 C ATOM 143 CD1 LEU A 10 -5.018 2.307 -5.883 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.473 2.934 -5.991 1.00 0.00 C ATOM 0 H LEU A 10 -3.999 3.468 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.751 2.800 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.584 1.280 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.318 2.770 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.929 4.022 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.883 2.770 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.109 2.432 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.225 1.244 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.289 3.385 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.789 1.899 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.257 3.490 -5.477 1.00 0.00 H new ATOM 155 N VAL A 11 -4.781 0.610 -1.399 1.00 0.00 N ATOM 156 CA VAL A 11 -4.100 -0.617 -1.027 1.00 0.00 C ATOM 157 C VAL A 11 -5.072 -1.792 -1.148 1.00 0.00 C ATOM 158 O VAL A 11 -6.217 -1.702 -0.708 1.00 0.00 O ATOM 159 CB VAL A 11 -3.500 -0.479 0.374 1.00 0.00 C ATOM 160 CG1 VAL A 11 -4.579 -0.628 1.448 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.370 -1.486 0.588 1.00 0.00 C ATOM 0 H VAL A 11 -5.497 0.916 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.268 -0.812 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.076 0.522 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.127 -0.526 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.335 0.145 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.045 -1.610 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.961 -1.366 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.758 -2.498 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.584 -1.313 -0.147 1.00 0.00 H new ATOM 171 N LEU A 12 -4.580 -2.867 -1.747 1.00 0.00 N ATOM 172 CA LEU A 12 -5.392 -4.059 -1.931 1.00 0.00 C ATOM 173 C LEU A 12 -4.778 -5.215 -1.138 1.00 0.00 C ATOM 174 O LEU A 12 -3.573 -5.452 -1.213 1.00 0.00 O ATOM 175 CB LEU A 12 -5.571 -4.359 -3.420 1.00 0.00 C ATOM 176 CG LEU A 12 -5.549 -3.150 -4.356 1.00 0.00 C ATOM 177 CD1 LEU A 12 -4.128 -2.612 -4.527 1.00 0.00 C ATOM 178 CD2 LEU A 12 -6.199 -3.485 -5.700 1.00 0.00 C ATOM 0 H LEU A 12 -3.630 -2.938 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.397 -3.902 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.784 -5.047 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.519 -4.880 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.140 -2.356 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.143 -1.753 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.735 -2.309 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.492 -3.391 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.170 -2.608 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.656 -4.303 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.235 -3.783 -5.539 1.00 0.00 H new ATOM 189 N LEU A 13 -5.636 -5.902 -0.399 1.00 0.00 N ATOM 190 CA LEU A 13 -5.194 -7.030 0.404 1.00 0.00 C ATOM 191 C LEU A 13 -6.154 -8.204 0.199 1.00 0.00 C ATOM 192 O LEU A 13 -7.367 -8.014 0.122 1.00 0.00 O ATOM 193 CB LEU A 13 -5.035 -6.615 1.869 1.00 0.00 C ATOM 194 CG LEU A 13 -4.987 -7.755 2.887 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.549 -8.041 3.324 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.901 -7.463 4.079 1.00 0.00 C ATOM 0 H LEU A 13 -6.634 -5.700 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.208 -7.364 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.119 -6.031 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.862 -5.955 2.131 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.362 -8.658 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.544 -8.856 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.954 -8.324 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.123 -7.148 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.849 -8.289 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.579 -6.544 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.927 -7.348 3.731 1.00 0.00 H new ATOM 220 N ASP A 15 -8.069 -11.562 1.323 1.00 0.00 N ATOM 221 CA ASP A 15 -8.629 -12.121 2.542 1.00 0.00 C ATOM 222 C ASP A 15 -8.769 -13.637 2.385 1.00 0.00 C ATOM 223 O ASP A 15 -9.382 -14.111 1.429 1.00 0.00 O ATOM 224 CB ASP A 15 -10.018 -11.545 2.827 1.00 0.00 C ATOM 225 CG ASP A 15 -11.105 -11.957 1.830 1.00 0.00 C ATOM 226 OD1 ASP A 15 -11.148 -11.337 0.747 1.00 0.00 O ATOM 227 OD2 ASP A 15 -11.868 -12.885 2.178 1.00 0.00 O ATOM 0 HA ASP A 15 -7.960 -11.871 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.326 -11.855 3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.949 -10.457 2.838 1.00 0.00 H new ATOM 231 N ASP A 16 -8.191 -14.354 3.338 1.00 0.00 N ATOM 232 CA ASP A 16 -8.245 -15.807 3.317 1.00 0.00 C ATOM 233 C ASP A 16 -9.210 -16.293 4.400 1.00 0.00 C ATOM 234 O ASP A 16 -8.981 -16.069 5.587 1.00 0.00 O ATOM 235 CB ASP A 16 -6.869 -16.411 3.603 1.00 0.00 C ATOM 236 CG ASP A 16 -6.891 -17.858 4.102 1.00 0.00 C ATOM 237 OD1 ASP A 16 -6.888 -18.758 3.234 1.00 0.00 O ATOM 238 OD2 ASP A 16 -6.908 -18.031 5.340 1.00 0.00 O ATOM 0 H ASP A 16 -7.684 -13.957 4.129 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.578 -16.119 2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.272 -16.365 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.365 -15.793 4.346 1.00 0.00 H new ATOM 242 N THR A 17 -10.270 -16.949 3.951 1.00 0.00 N ATOM 243 CA THR A 17 -11.272 -17.468 4.866 1.00 0.00 C ATOM 244 C THR A 17 -11.669 -16.398 5.884 1.00 0.00 C ATOM 245 O THR A 17 -11.227 -15.254 5.792 1.00 0.00 O ATOM 246 CB THR A 17 -10.712 -18.739 5.508 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.607 -18.280 6.282 1.00 0.00 O ATOM 248 CG2 THR A 17 -10.082 -19.685 4.483 1.00 0.00 C ATOM 0 H THR A 17 -10.457 -17.133 2.965 1.00 0.00 H new ATOM 0 HA THR A 17 -12.191 -17.729 4.341 1.00 0.00 H new ATOM 0 HB THR A 17 -11.510 -19.259 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.674 -17.310 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.701 -20.570 4.991 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.834 -19.982 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.262 -19.177 3.975 1.00 0.00 H new ATOM 256 N LYS A 18 -12.500 -16.808 6.831 1.00 0.00 N ATOM 257 CA LYS A 18 -12.962 -15.897 7.866 1.00 0.00 C ATOM 258 C LYS A 18 -13.845 -16.663 8.855 1.00 0.00 C ATOM 259 O LYS A 18 -14.145 -17.837 8.644 1.00 0.00 O ATOM 260 CB LYS A 18 -13.651 -14.682 7.242 1.00 0.00 C ATOM 261 CG LYS A 18 -14.875 -15.105 6.426 1.00 0.00 C ATOM 262 CD LYS A 18 -14.913 -14.380 5.079 1.00 0.00 C ATOM 263 CE LYS A 18 -16.339 -14.313 4.532 1.00 0.00 C ATOM 264 NZ LYS A 18 -17.055 -13.146 5.095 1.00 0.00 N ATOM 0 H LYS A 18 -12.865 -17.758 6.904 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.117 -15.501 8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.954 -13.989 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.948 -14.150 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.853 -16.182 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.784 -14.886 6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.516 -13.371 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.270 -14.896 4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.315 -14.243 3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.874 -15.230 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.022 -13.115 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.094 -13.229 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.553 -12.273 4.837 1.00 0.00 H new ATOM 274 N ILE A 19 -14.233 -15.967 9.912 1.00 0.00 N ATOM 275 CA ILE A 19 -15.075 -16.566 10.935 1.00 0.00 C ATOM 276 C ILE A 19 -16.330 -15.711 11.121 1.00 0.00 C ATOM 277 O ILE A 19 -16.273 -14.487 11.014 1.00 0.00 O ATOM 278 CB ILE A 19 -14.279 -16.780 12.225 1.00 0.00 C ATOM 279 CG1 ILE A 19 -13.197 -17.844 12.032 1.00 0.00 C ATOM 280 CG2 ILE A 19 -15.211 -17.116 13.393 1.00 0.00 C ATOM 281 CD1 ILE A 19 -13.817 -19.220 11.781 1.00 0.00 C ATOM 0 H ILE A 19 -13.981 -14.994 10.083 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.407 -17.557 10.624 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.772 -15.847 12.473 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.559 -17.570 11.192 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.560 -17.884 12.916 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.622 -17.263 14.298 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -15.912 -16.296 13.546 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -15.763 -18.028 13.167 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.025 -19.957 11.647 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.435 -19.502 12.634 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.433 -19.183 10.883 1.00 0.00 H new ATOM 292 N ASN A 20 -17.434 -16.391 11.396 1.00 0.00 N ATOM 293 CA ASN A 20 -18.702 -15.709 11.598 1.00 0.00 C ATOM 294 C ASN A 20 -18.610 -14.834 12.849 1.00 0.00 C ATOM 295 O ASN A 20 -17.529 -14.377 13.215 1.00 0.00 O ATOM 296 CB ASN A 20 -19.840 -16.711 11.802 1.00 0.00 C ATOM 297 CG ASN A 20 -19.737 -17.385 13.172 1.00 0.00 C ATOM 298 OD1 ASN A 20 -20.321 -16.951 14.152 1.00 0.00 O ATOM 299 ND2 ASN A 20 -18.963 -18.466 13.187 1.00 0.00 N ATOM 0 H ASN A 20 -17.477 -17.406 11.484 1.00 0.00 H new ATOM 0 HA ASN A 20 -18.907 -15.107 10.713 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -20.799 -16.200 11.715 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -19.809 -17.467 11.017 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -18.829 -18.986 14.055 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -18.503 -18.776 12.331 1.00 0.00 H new ATOM 305 N LYS A 21 -19.763 -14.626 13.471 1.00 0.00 N ATOM 306 CA LYS A 21 -19.828 -13.813 14.674 1.00 0.00 C ATOM 307 C LYS A 21 -18.763 -14.288 15.664 1.00 0.00 C ATOM 308 O LYS A 21 -18.364 -13.544 16.558 1.00 0.00 O ATOM 309 CB LYS A 21 -21.246 -13.816 15.247 1.00 0.00 C ATOM 310 CG LYS A 21 -21.660 -12.413 15.693 1.00 0.00 C ATOM 311 CD LYS A 21 -21.708 -12.315 17.219 1.00 0.00 C ATOM 312 CE LYS A 21 -22.879 -11.442 17.677 1.00 0.00 C ATOM 313 NZ LYS A 21 -22.529 -10.009 17.570 1.00 0.00 N ATOM 0 H LYS A 21 -20.658 -15.006 13.164 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.606 -12.771 14.442 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -21.945 -14.184 14.496 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.299 -14.501 16.093 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.956 -11.680 15.300 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -22.638 -12.169 15.278 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.804 -13.312 17.648 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.772 -11.897 17.590 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.758 -11.654 17.069 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.139 -11.683 18.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.334 -9.431 17.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -21.703 -9.808 18.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.303 -9.780 16.581 1.00 0.00 H new ATOM 323 N GLU A 22 -18.334 -15.528 15.472 1.00 0.00 N ATOM 324 CA GLU A 22 -17.325 -16.113 16.338 1.00 0.00 C ATOM 325 C GLU A 22 -16.040 -15.282 16.294 1.00 0.00 C ATOM 326 O GLU A 22 -15.161 -15.445 17.139 1.00 0.00 O ATOM 327 CB GLU A 22 -17.050 -17.568 15.954 1.00 0.00 C ATOM 328 CG GLU A 22 -17.376 -18.512 17.114 1.00 0.00 C ATOM 329 CD GLU A 22 -16.600 -18.123 18.374 1.00 0.00 C ATOM 330 OE1 GLU A 22 -15.353 -18.127 18.295 1.00 0.00 O ATOM 331 OE2 GLU A 22 -17.271 -17.832 19.386 1.00 0.00 O ATOM 0 H GLU A 22 -18.667 -16.143 14.729 1.00 0.00 H new ATOM 0 HA GLU A 22 -17.704 -16.106 17.360 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.647 -17.837 15.083 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.004 -17.682 15.671 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.446 -18.485 17.319 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.131 -19.536 16.834 1.00 0.00 H new ATOM 336 N ASP A 23 -15.973 -14.408 15.301 1.00 0.00 N ATOM 337 CA ASP A 23 -14.812 -13.550 15.136 1.00 0.00 C ATOM 338 C ASP A 23 -15.238 -12.249 14.452 1.00 0.00 C ATOM 339 O ASP A 23 -15.169 -11.179 15.052 1.00 0.00 O ATOM 340 CB ASP A 23 -13.752 -14.220 14.259 1.00 0.00 C ATOM 341 CG ASP A 23 -12.311 -13.790 14.543 1.00 0.00 C ATOM 342 OD1 ASP A 23 -12.029 -13.497 15.724 1.00 0.00 O ATOM 343 OD2 ASP A 23 -11.527 -13.763 13.570 1.00 0.00 O ATOM 0 H ASP A 23 -16.704 -14.275 14.602 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.393 -13.356 16.123 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.825 -15.300 14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.979 -14.008 13.214 1.00 0.00 H new ATOM 347 N GLU A 24 -15.665 -12.386 13.206 1.00 0.00 N ATOM 348 CA GLU A 24 -16.102 -11.234 12.435 1.00 0.00 C ATOM 349 C GLU A 24 -17.172 -11.649 11.422 1.00 0.00 C ATOM 350 O GLU A 24 -16.856 -12.220 10.379 1.00 0.00 O ATOM 351 CB GLU A 24 -14.919 -10.560 11.737 1.00 0.00 C ATOM 352 CG GLU A 24 -14.115 -9.708 12.723 1.00 0.00 C ATOM 353 CD GLU A 24 -12.830 -10.425 13.143 1.00 0.00 C ATOM 354 OE1 GLU A 24 -12.843 -11.674 13.120 1.00 0.00 O ATOM 355 OE2 GLU A 24 -11.865 -9.706 13.479 1.00 0.00 O ATOM 0 H GLU A 24 -15.718 -13.276 12.711 1.00 0.00 H new ATOM 0 HA GLU A 24 -16.539 -10.507 13.120 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.273 -11.318 11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.281 -9.934 10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.869 -8.750 12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.721 -9.494 13.603 1.00 0.00 H new ATOM 360 N LYS A 25 -18.414 -11.347 11.765 1.00 0.00 N ATOM 361 CA LYS A 25 -19.533 -11.680 10.899 1.00 0.00 C ATOM 362 C LYS A 25 -19.585 -10.687 9.736 1.00 0.00 C ATOM 363 O LYS A 25 -19.932 -11.056 8.615 1.00 0.00 O ATOM 364 CB LYS A 25 -20.832 -11.754 11.704 1.00 0.00 C ATOM 365 CG LYS A 25 -22.028 -12.034 10.791 1.00 0.00 C ATOM 366 CD LYS A 25 -22.328 -13.533 10.725 1.00 0.00 C ATOM 367 CE LYS A 25 -23.828 -13.799 10.867 1.00 0.00 C ATOM 368 NZ LYS A 25 -24.090 -15.251 10.969 1.00 0.00 N ATOM 0 H LYS A 25 -18.672 -10.875 12.632 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.398 -12.671 10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.753 -12.538 12.457 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.988 -10.816 12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.904 -11.500 11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.822 -11.656 9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.971 -13.937 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.787 -14.051 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -24.211 -13.291 11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -24.359 -13.387 10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.113 -15.413 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.743 -15.727 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.599 -15.635 11.802 1.00 0.00 H new ATOM 378 N PHE A 26 -19.235 -9.446 10.043 1.00 0.00 N ATOM 379 CA PHE A 26 -19.237 -8.398 9.037 1.00 0.00 C ATOM 380 C PHE A 26 -18.541 -7.138 9.558 1.00 0.00 C ATOM 381 O PHE A 26 -19.161 -6.080 9.661 1.00 0.00 O ATOM 382 CB PHE A 26 -20.702 -8.069 8.737 1.00 0.00 C ATOM 383 CG PHE A 26 -20.935 -7.480 7.344 1.00 0.00 C ATOM 384 CD1 PHE A 26 -20.893 -8.287 6.250 1.00 0.00 C ATOM 385 CD2 PHE A 26 -21.183 -6.152 7.200 1.00 0.00 C ATOM 386 CE1 PHE A 26 -21.110 -7.741 4.957 1.00 0.00 C ATOM 387 CE2 PHE A 26 -21.399 -5.606 5.907 1.00 0.00 C ATOM 388 CZ PHE A 26 -21.358 -6.412 4.813 1.00 0.00 C ATOM 0 H PHE A 26 -18.948 -9.143 10.974 1.00 0.00 H new ATOM 0 HA PHE A 26 -18.705 -8.734 8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -21.296 -8.977 8.840 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -21.066 -7.363 9.484 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.695 -9.342 6.364 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -21.216 -5.512 8.069 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -21.078 -8.382 4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -21.596 -4.550 5.793 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.522 -5.997 3.830 1.00 0.00 H new ATOM 397 N LEU A 27 -17.263 -7.294 9.870 1.00 0.00 N ATOM 398 CA LEU A 27 -16.476 -6.183 10.377 1.00 0.00 C ATOM 399 C LEU A 27 -16.077 -5.273 9.213 1.00 0.00 C ATOM 400 O LEU A 27 -15.786 -5.752 8.118 1.00 0.00 O ATOM 401 CB LEU A 27 -15.287 -6.696 11.192 1.00 0.00 C ATOM 402 CG LEU A 27 -13.957 -6.802 10.443 1.00 0.00 C ATOM 403 CD1 LEU A 27 -14.085 -7.714 9.222 1.00 0.00 C ATOM 404 CD2 LEU A 27 -13.425 -5.417 10.070 1.00 0.00 C ATOM 0 H LEU A 27 -16.753 -8.173 9.781 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.068 -5.580 11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.147 -6.037 12.049 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.539 -7.681 11.585 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.226 -7.259 11.110 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.125 -7.771 8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.385 -8.712 9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.836 -7.310 8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.479 -5.522 9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.147 -4.910 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.270 -4.831 10.976 1.00 0.00 H new ATOM 415 N LYS A 28 -16.077 -3.978 9.489 1.00 0.00 N ATOM 416 CA LYS A 28 -15.717 -2.997 8.479 1.00 0.00 C ATOM 417 C LYS A 28 -14.194 -2.935 8.355 1.00 0.00 C ATOM 418 O LYS A 28 -13.531 -2.250 9.132 1.00 0.00 O ATOM 419 CB LYS A 28 -16.365 -1.646 8.791 1.00 0.00 C ATOM 420 CG LYS A 28 -17.719 -1.513 8.093 1.00 0.00 C ATOM 421 CD LYS A 28 -17.826 -0.177 7.354 1.00 0.00 C ATOM 422 CE LYS A 28 -19.287 0.260 7.218 1.00 0.00 C ATOM 423 NZ LYS A 28 -19.370 1.711 6.945 1.00 0.00 N ATOM 0 H LYS A 28 -16.321 -3.584 10.398 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.104 -3.293 7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.495 -1.541 9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.706 -0.840 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.851 -2.334 7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.520 -1.591 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.263 0.586 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.376 -0.267 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.765 -0.296 6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.830 0.024 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.368 1.991 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.932 2.237 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.869 1.927 6.059 1.00 0.00 H new ATOM 433 N GLY A 29 -13.684 -3.660 7.371 1.00 0.00 N ATOM 434 CA GLY A 29 -12.250 -3.697 7.133 1.00 0.00 C ATOM 435 C GLY A 29 -11.891 -4.774 6.107 1.00 0.00 C ATOM 436 O GLY A 29 -11.014 -4.570 5.270 1.00 0.00 O ATOM 0 H GLY A 29 -14.238 -4.227 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.912 -2.724 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.727 -3.893 8.069 1.00 0.00 H new ATOM 557 N VAL A 38 -9.098 -1.400 -0.332 1.00 0.00 N ATOM 558 CA VAL A 38 -9.692 -1.392 0.994 1.00 0.00 C ATOM 559 C VAL A 38 -9.941 0.054 1.427 1.00 0.00 C ATOM 560 O VAL A 38 -10.918 0.338 2.120 1.00 0.00 O ATOM 561 CB VAL A 38 -8.802 -2.163 1.971 1.00 0.00 C ATOM 562 CG1 VAL A 38 -7.503 -1.403 2.247 1.00 0.00 C ATOM 563 CG2 VAL A 38 -9.549 -2.465 3.272 1.00 0.00 C ATOM 0 HA VAL A 38 -10.656 -1.900 0.984 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.541 -3.114 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.889 -1.973 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.958 -1.264 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.736 -0.430 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.894 -3.014 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.855 -1.530 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.431 -3.067 3.054 1.00 0.00 H new ATOM 573 N ASP A 39 -9.043 0.930 1.001 1.00 0.00 N ATOM 574 CA ASP A 39 -9.153 2.339 1.336 1.00 0.00 C ATOM 575 C ASP A 39 -8.110 3.130 0.544 1.00 0.00 C ATOM 576 O ASP A 39 -7.147 2.558 0.035 1.00 0.00 O ATOM 577 CB ASP A 39 -8.894 2.573 2.825 1.00 0.00 C ATOM 578 CG ASP A 39 -10.003 3.322 3.564 1.00 0.00 C ATOM 579 OD1 ASP A 39 -11.133 3.335 3.031 1.00 0.00 O ATOM 580 OD2 ASP A 39 -9.697 3.867 4.648 1.00 0.00 O ATOM 0 H ASP A 39 -8.235 0.691 0.426 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.163 2.666 1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.744 1.608 3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.964 3.132 2.933 1.00 0.00 H new ATOM 584 N GLU A 40 -8.338 4.432 0.464 1.00 0.00 N ATOM 585 CA GLU A 40 -7.430 5.308 -0.257 1.00 0.00 C ATOM 586 C GLU A 40 -6.923 6.421 0.663 1.00 0.00 C ATOM 587 O GLU A 40 -7.675 6.946 1.483 1.00 0.00 O ATOM 588 CB GLU A 40 -8.102 5.890 -1.502 1.00 0.00 C ATOM 589 CG GLU A 40 -9.321 6.735 -1.123 1.00 0.00 C ATOM 590 CD GLU A 40 -10.480 6.488 -2.090 1.00 0.00 C ATOM 591 OE1 GLU A 40 -11.050 5.379 -2.024 1.00 0.00 O ATOM 592 OE2 GLU A 40 -10.770 7.417 -2.875 1.00 0.00 O ATOM 0 H GLU A 40 -9.139 4.902 0.887 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.575 4.719 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.388 6.502 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.408 5.082 -2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.633 6.495 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.053 7.792 -1.133 1.00 0.00 H new ATOM 597 N LEU A 41 -5.650 6.749 0.496 1.00 0.00 N ATOM 598 CA LEU A 41 -5.032 7.788 1.301 1.00 0.00 C ATOM 599 C LEU A 41 -4.312 8.778 0.384 1.00 0.00 C ATOM 600 O LEU A 41 -3.765 8.390 -0.647 1.00 0.00 O ATOM 601 CB LEU A 41 -4.130 7.172 2.372 1.00 0.00 C ATOM 602 CG LEU A 41 -4.753 6.061 3.217 1.00 0.00 C ATOM 603 CD1 LEU A 41 -4.673 4.713 2.497 1.00 0.00 C ATOM 604 CD2 LEU A 41 -4.118 6.006 4.608 1.00 0.00 C ATOM 0 H LEU A 41 -5.029 6.313 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.791 8.351 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.240 6.774 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.799 7.967 3.040 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.810 6.290 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.123 3.940 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.210 4.774 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.629 4.463 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.580 5.207 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.049 5.814 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.272 6.958 5.116 1.00 0.00 H new ATOM 615 N ILE A 42 -4.335 10.039 0.793 1.00 0.00 N ATOM 616 CA ILE A 42 -3.691 11.088 0.020 1.00 0.00 C ATOM 617 C ILE A 42 -2.219 11.183 0.425 1.00 0.00 C ATOM 618 O ILE A 42 -1.906 11.459 1.582 1.00 0.00 O ATOM 619 CB ILE A 42 -4.456 12.405 0.164 1.00 0.00 C ATOM 620 CG1 ILE A 42 -5.949 12.204 -0.100 1.00 0.00 C ATOM 621 CG2 ILE A 42 -3.855 13.489 -0.733 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.208 11.910 -1.579 1.00 0.00 C ATOM 0 H ILE A 42 -4.789 10.357 1.649 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.714 10.848 -1.043 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.355 12.748 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.322 11.381 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.499 13.097 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.417 14.415 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.815 13.657 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.904 13.169 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.277 11.771 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.855 12.746 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.676 11.003 -1.868 1.00 0.00 H new ATOM 633 N LEU A 43 -1.354 10.950 -0.552 1.00 0.00 N ATOM 634 CA LEU A 43 0.079 11.008 -0.311 1.00 0.00 C ATOM 635 C LEU A 43 0.629 12.329 -0.853 1.00 0.00 C ATOM 636 O LEU A 43 0.097 12.878 -1.816 1.00 0.00 O ATOM 637 CB LEU A 43 0.769 9.770 -0.888 1.00 0.00 C ATOM 638 CG LEU A 43 -0.156 8.659 -1.389 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.443 8.815 -2.883 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.416 7.278 -1.056 1.00 0.00 C ATOM 0 H LEU A 43 -1.617 10.721 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 43 0.288 10.991 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.406 10.085 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.423 9.353 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.109 8.748 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.103 8.012 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.924 9.777 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.493 8.767 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.260 6.506 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.390 7.163 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.526 7.181 0.024 1.00 0.00 H new ATOM 651 N PRO A 44 1.716 12.812 -0.195 1.00 0.00 N ATOM 652 CA PRO A 44 2.345 14.057 -0.601 1.00 0.00 C ATOM 653 C PRO A 44 3.160 13.869 -1.880 1.00 0.00 C ATOM 654 O PRO A 44 4.256 14.412 -2.009 1.00 0.00 O ATOM 655 CB PRO A 44 3.193 14.475 0.590 1.00 0.00 C ATOM 656 CG PRO A 44 3.376 13.222 1.431 1.00 0.00 C ATOM 657 CD PRO A 44 2.374 12.187 0.949 1.00 0.00 C ATOM 0 HA PRO A 44 1.621 14.833 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.155 14.871 0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.702 15.262 1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.393 12.843 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.218 13.444 2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.870 11.259 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.656 11.937 1.730 1.00 0.00 H new ATOM 662 N PHE A 45 2.594 13.096 -2.797 1.00 0.00 N ATOM 663 CA PHE A 45 3.257 12.829 -4.062 1.00 0.00 C ATOM 664 C PHE A 45 2.783 13.800 -5.145 1.00 0.00 C ATOM 665 O PHE A 45 1.588 14.053 -5.278 1.00 0.00 O ATOM 666 CB PHE A 45 2.878 11.403 -4.471 1.00 0.00 C ATOM 667 CG PHE A 45 3.067 11.115 -5.962 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.237 11.436 -6.575 1.00 0.00 C ATOM 669 CD2 PHE A 45 2.064 10.534 -6.674 1.00 0.00 C ATOM 670 CE1 PHE A 45 4.411 11.167 -7.959 1.00 0.00 C ATOM 671 CE2 PHE A 45 2.238 10.266 -8.057 1.00 0.00 C ATOM 672 CZ PHE A 45 3.409 10.589 -8.670 1.00 0.00 C ATOM 0 H PHE A 45 1.685 12.647 -2.689 1.00 0.00 H new ATOM 0 HA PHE A 45 4.335 12.949 -3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.479 10.699 -3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.836 11.224 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.034 11.896 -6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.135 10.277 -6.187 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.341 11.422 -8.446 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.441 9.806 -8.623 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.542 10.386 -9.722 1.00 0.00 H new ATOM 681 N ASN A 46 3.748 14.318 -5.892 1.00 0.00 N ATOM 682 CA ASN A 46 3.445 15.256 -6.960 1.00 0.00 C ATOM 683 C ASN A 46 4.008 14.720 -8.278 1.00 0.00 C ATOM 684 O ASN A 46 4.876 13.848 -8.278 1.00 0.00 O ATOM 685 CB ASN A 46 4.083 16.621 -6.692 1.00 0.00 C ATOM 686 CG ASN A 46 3.030 17.645 -6.266 1.00 0.00 C ATOM 687 OD1 ASN A 46 2.989 18.096 -5.134 1.00 0.00 O ATOM 688 ND2 ASN A 46 2.184 17.986 -7.235 1.00 0.00 N ATOM 0 H ASN A 46 4.739 14.106 -5.779 1.00 0.00 H new ATOM 0 HA ASN A 46 2.362 15.369 -7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.839 16.526 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.593 16.971 -7.590 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.444 18.664 -7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.275 17.569 -8.162 1.00 0.00 H new ATOM 694 N VAL A 47 3.490 15.264 -9.370 1.00 0.00 N ATOM 695 CA VAL A 47 3.931 14.851 -10.692 1.00 0.00 C ATOM 696 C VAL A 47 5.319 15.433 -10.966 1.00 0.00 C ATOM 697 O VAL A 47 6.052 14.926 -11.814 1.00 0.00 O ATOM 698 CB VAL A 47 2.894 15.259 -11.740 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.370 14.905 -13.150 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.535 14.622 -11.444 1.00 0.00 C ATOM 0 H VAL A 47 2.770 15.986 -9.366 1.00 0.00 H new ATOM 0 HA VAL A 47 4.017 13.766 -10.745 1.00 0.00 H new ATOM 0 HB VAL A 47 2.775 16.341 -11.689 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.614 15.206 -13.875 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.303 15.427 -13.361 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.532 13.829 -13.220 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.816 14.928 -12.204 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.632 13.536 -11.453 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.187 14.947 -10.463 1.00 0.00 H new ATOM 710 N ASP A 48 5.639 16.490 -10.234 1.00 0.00 N ATOM 711 CA ASP A 48 6.925 17.146 -10.386 1.00 0.00 C ATOM 712 C ASP A 48 7.825 16.779 -9.205 1.00 0.00 C ATOM 713 O ASP A 48 8.567 17.620 -8.699 1.00 0.00 O ATOM 714 CB ASP A 48 6.769 18.668 -10.408 1.00 0.00 C ATOM 715 CG ASP A 48 7.953 19.433 -11.006 1.00 0.00 C ATOM 716 OD1 ASP A 48 9.076 18.887 -10.933 1.00 0.00 O ATOM 717 OD2 ASP A 48 7.707 20.542 -11.524 1.00 0.00 O ATOM 0 H ASP A 48 5.028 16.909 -9.533 1.00 0.00 H new ATOM 0 HA ASP A 48 7.361 16.815 -11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.872 18.918 -10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.609 19.016 -9.388 1.00 0.00 H new ATOM 721 N GLU A 49 7.727 15.522 -8.796 1.00 0.00 N ATOM 722 CA GLU A 49 8.523 15.033 -7.683 1.00 0.00 C ATOM 723 C GLU A 49 8.755 13.527 -7.819 1.00 0.00 C ATOM 724 O GLU A 49 8.782 12.807 -6.820 1.00 0.00 O ATOM 725 CB GLU A 49 7.858 15.367 -6.346 1.00 0.00 C ATOM 726 CG GLU A 49 8.259 16.765 -5.868 1.00 0.00 C ATOM 727 CD GLU A 49 7.950 16.946 -4.381 1.00 0.00 C ATOM 728 OE1 GLU A 49 6.786 16.686 -4.007 1.00 0.00 O ATOM 729 OE2 GLU A 49 8.885 17.340 -3.651 1.00 0.00 O ATOM 0 H GLU A 49 7.109 14.828 -9.216 1.00 0.00 H new ATOM 0 HA GLU A 49 9.491 15.534 -7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.774 15.311 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.144 14.627 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.323 16.922 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.726 17.518 -6.448 1.00 0.00 H new ATOM 734 N LEU A 50 8.918 13.095 -9.060 1.00 0.00 N ATOM 735 CA LEU A 50 9.148 11.688 -9.339 1.00 0.00 C ATOM 736 C LEU A 50 10.521 11.282 -8.795 1.00 0.00 C ATOM 737 O LEU A 50 10.663 10.222 -8.188 1.00 0.00 O ATOM 738 CB LEU A 50 8.969 11.400 -10.830 1.00 0.00 C ATOM 739 CG LEU A 50 7.529 11.184 -11.304 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.866 10.040 -10.534 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.722 12.480 -11.213 1.00 0.00 C ATOM 0 H LEU A 50 8.895 13.695 -9.885 1.00 0.00 H new ATOM 0 HA LEU A 50 8.407 11.073 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.395 12.230 -11.394 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.550 10.512 -11.081 1.00 0.00 H new ATOM 0 HG LEU A 50 7.554 10.894 -12.354 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.844 9.907 -10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.429 9.120 -10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.852 10.277 -9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.703 12.299 -11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.702 12.824 -10.179 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.185 13.242 -11.840 1.00 0.00 H new ATOM 752 N ASP A 51 11.495 12.149 -9.033 1.00 0.00 N ATOM 753 CA ASP A 51 12.849 11.895 -8.574 1.00 0.00 C ATOM 754 C ASP A 51 12.865 11.846 -7.044 1.00 0.00 C ATOM 755 O ASP A 51 13.414 10.918 -6.455 1.00 0.00 O ATOM 756 CB ASP A 51 13.800 13.007 -9.020 1.00 0.00 C ATOM 757 CG ASP A 51 14.016 13.105 -10.532 1.00 0.00 C ATOM 758 OD1 ASP A 51 14.238 12.037 -11.144 1.00 0.00 O ATOM 759 OD2 ASP A 51 13.953 14.245 -11.043 1.00 0.00 O ATOM 0 H ASP A 51 11.373 13.027 -9.537 1.00 0.00 H new ATOM 0 HA ASP A 51 13.176 10.947 -9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.414 13.961 -8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.766 12.853 -8.539 1.00 0.00 H new ATOM 763 N GLU A 52 12.254 12.859 -6.447 1.00 0.00 N ATOM 764 CA GLU A 52 12.191 12.943 -4.997 1.00 0.00 C ATOM 765 C GLU A 52 11.287 11.844 -4.439 1.00 0.00 C ATOM 766 O GLU A 52 11.539 11.316 -3.357 1.00 0.00 O ATOM 767 CB GLU A 52 11.714 14.326 -4.549 1.00 0.00 C ATOM 768 CG GLU A 52 12.436 14.770 -3.275 1.00 0.00 C ATOM 769 CD GLU A 52 11.644 15.854 -2.544 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.660 15.481 -1.869 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.037 17.033 -2.678 1.00 0.00 O ATOM 0 H GLU A 52 11.799 13.627 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 52 13.195 12.794 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.892 15.051 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.639 14.304 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.579 13.913 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.427 15.147 -3.527 1.00 0.00 H new ATOM 776 N LEU A 53 10.250 11.531 -5.202 1.00 0.00 N ATOM 777 CA LEU A 53 9.305 10.504 -4.797 1.00 0.00 C ATOM 778 C LEU A 53 9.969 9.131 -4.914 1.00 0.00 C ATOM 779 O LEU A 53 9.766 8.264 -4.065 1.00 0.00 O ATOM 780 CB LEU A 53 8.005 10.628 -5.595 1.00 0.00 C ATOM 781 CG LEU A 53 6.983 9.508 -5.388 1.00 0.00 C ATOM 782 CD1 LEU A 53 5.841 9.968 -4.480 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.469 8.980 -6.730 1.00 0.00 C ATOM 0 H LEU A 53 10.043 11.971 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 53 9.025 10.635 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.533 11.576 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.255 10.674 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 53 7.482 8.680 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.129 9.153 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.242 10.258 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.337 10.821 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.744 8.185 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.992 9.790 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.304 8.588 -7.311 1.00 0.00 H new ATOM 794 N ASN A 54 10.751 8.974 -5.972 1.00 0.00 N ATOM 795 CA ASN A 54 11.446 7.721 -6.211 1.00 0.00 C ATOM 796 C ASN A 54 12.535 7.538 -5.153 1.00 0.00 C ATOM 797 O ASN A 54 12.800 6.418 -4.717 1.00 0.00 O ATOM 798 CB ASN A 54 12.118 7.718 -7.585 1.00 0.00 C ATOM 799 CG ASN A 54 11.273 6.955 -8.607 1.00 0.00 C ATOM 800 OD1 ASN A 54 11.362 5.747 -8.748 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.449 7.728 -9.311 1.00 0.00 N ATOM 0 H ASN A 54 10.919 9.695 -6.674 1.00 0.00 H new ATOM 0 HA ASN A 54 10.714 6.915 -6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.266 8.743 -7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.105 7.261 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.842 7.315 -10.019 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.424 8.734 -9.142 1.00 0.00 H new ATOM 807 N THR A 55 13.135 8.654 -4.768 1.00 0.00 N ATOM 808 CA THR A 55 14.190 8.631 -3.767 1.00 0.00 C ATOM 809 C THR A 55 13.608 8.330 -2.386 1.00 0.00 C ATOM 810 O THR A 55 14.144 7.505 -1.648 1.00 0.00 O ATOM 811 CB THR A 55 14.936 9.964 -3.836 1.00 0.00 C ATOM 812 OG1 THR A 55 16.303 9.608 -3.647 1.00 0.00 O ATOM 813 CG2 THR A 55 14.621 10.874 -2.647 1.00 0.00 C ATOM 0 H THR A 55 12.911 9.581 -5.131 1.00 0.00 H new ATOM 0 HA THR A 55 14.905 7.832 -3.964 1.00 0.00 H new ATOM 0 HB THR A 55 14.678 10.476 -4.763 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.859 10.415 -3.679 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.176 11.807 -2.745 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.553 11.088 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.909 10.376 -1.721 1.00 0.00 H new ATOM 821 N TRP A 56 12.518 9.017 -2.077 1.00 0.00 N ATOM 822 CA TRP A 56 11.855 8.835 -0.796 1.00 0.00 C ATOM 823 C TRP A 56 11.212 7.447 -0.790 1.00 0.00 C ATOM 824 O TRP A 56 11.375 6.687 0.164 1.00 0.00 O ATOM 825 CB TRP A 56 10.853 9.960 -0.532 1.00 0.00 C ATOM 826 CG TRP A 56 9.405 9.482 -0.388 1.00 0.00 C ATOM 827 CD1 TRP A 56 8.951 8.411 0.276 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.234 10.108 -0.952 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.580 8.300 0.182 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.129 9.365 -0.589 1.00 0.00 C ATOM 831 CE3 TRP A 56 8.111 11.265 -1.742 1.00 0.00 C ATOM 832 CZ2 TRP A 56 5.823 9.697 -0.970 1.00 0.00 C ATOM 833 CZ3 TRP A 56 6.800 11.582 -2.115 1.00 0.00 C ATOM 834 CH2 TRP A 56 5.678 10.845 -1.758 1.00 0.00 C ATOM 0 H TRP A 56 12.077 9.701 -2.692 1.00 0.00 H new ATOM 0 HA TRP A 56 12.574 8.889 0.022 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.144 10.486 0.378 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.908 10.681 -1.348 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.580 7.720 0.818 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.003 7.571 0.601 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.961 11.862 -2.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.974 9.100 -0.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.650 12.462 -2.723 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.698 11.156 -2.087 1.00 0.00 H new ATOM 844 N PHE A 57 10.494 7.157 -1.865 1.00 0.00 N ATOM 845 CA PHE A 57 9.825 5.874 -1.995 1.00 0.00 C ATOM 846 C PHE A 57 10.831 4.723 -1.941 1.00 0.00 C ATOM 847 O PHE A 57 10.548 3.671 -1.368 1.00 0.00 O ATOM 848 CB PHE A 57 9.134 5.866 -3.361 1.00 0.00 C ATOM 849 CG PHE A 57 8.428 4.549 -3.693 1.00 0.00 C ATOM 850 CD1 PHE A 57 7.154 4.335 -3.274 1.00 0.00 C ATOM 851 CD2 PHE A 57 9.079 3.594 -4.411 1.00 0.00 C ATOM 852 CE1 PHE A 57 6.499 3.113 -3.582 1.00 0.00 C ATOM 853 CE2 PHE A 57 8.425 2.372 -4.721 1.00 0.00 C ATOM 854 CZ PHE A 57 7.149 2.157 -4.300 1.00 0.00 C ATOM 0 H PHE A 57 10.361 7.789 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 57 9.116 5.741 -1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.405 6.675 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.875 6.074 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.638 5.095 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.092 3.765 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.487 2.943 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.941 1.613 -5.291 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.652 1.228 -4.536 1.00 0.00 H new ATOM 863 N ASP A 58 11.987 4.960 -2.543 1.00 0.00 N ATOM 864 CA ASP A 58 13.037 3.956 -2.571 1.00 0.00 C ATOM 865 C ASP A 58 13.494 3.664 -1.140 1.00 0.00 C ATOM 866 O ASP A 58 13.690 2.507 -0.771 1.00 0.00 O ATOM 867 CB ASP A 58 14.249 4.448 -3.364 1.00 0.00 C ATOM 868 CG ASP A 58 15.462 3.515 -3.337 1.00 0.00 C ATOM 869 OD1 ASP A 58 15.397 2.482 -4.038 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.425 3.855 -2.617 1.00 0.00 O ATOM 0 H ASP A 58 12.220 5.833 -3.016 1.00 0.00 H new ATOM 0 HA ASP A 58 12.636 3.061 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.949 4.599 -4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.549 5.421 -2.974 1.00 0.00 H new ATOM 874 N LYS A 59 13.651 4.733 -0.373 1.00 0.00 N ATOM 875 CA LYS A 59 14.083 4.606 1.008 1.00 0.00 C ATOM 876 C LYS A 59 12.951 3.992 1.837 1.00 0.00 C ATOM 877 O LYS A 59 13.174 3.049 2.593 1.00 0.00 O ATOM 878 CB LYS A 59 14.576 5.953 1.542 1.00 0.00 C ATOM 879 CG LYS A 59 15.071 5.823 2.983 1.00 0.00 C ATOM 880 CD LYS A 59 13.898 5.801 3.966 1.00 0.00 C ATOM 881 CE LYS A 59 14.327 6.316 5.342 1.00 0.00 C ATOM 882 NZ LYS A 59 14.479 7.788 5.320 1.00 0.00 N ATOM 0 H LYS A 59 13.487 5.691 -0.682 1.00 0.00 H new ATOM 0 HA LYS A 59 14.935 3.930 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.381 6.326 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.769 6.684 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.656 4.910 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.733 6.655 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.084 6.416 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.514 4.785 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.587 6.032 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.269 5.851 5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.501 8.149 6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.366 8.038 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.677 8.212 4.812 1.00 0.00 H new ATOM 892 N PHE A 60 11.764 4.555 1.666 1.00 0.00 N ATOM 893 CA PHE A 60 10.599 4.075 2.388 1.00 0.00 C ATOM 894 C PHE A 60 10.285 2.623 2.019 1.00 0.00 C ATOM 895 O PHE A 60 9.784 1.863 2.848 1.00 0.00 O ATOM 896 CB PHE A 60 9.420 4.959 1.974 1.00 0.00 C ATOM 897 CG PHE A 60 8.650 5.560 3.151 1.00 0.00 C ATOM 898 CD1 PHE A 60 7.871 4.763 3.932 1.00 0.00 C ATOM 899 CD2 PHE A 60 8.743 6.890 3.418 1.00 0.00 C ATOM 900 CE1 PHE A 60 7.155 5.319 5.025 1.00 0.00 C ATOM 901 CE2 PHE A 60 8.027 7.447 4.510 1.00 0.00 C ATOM 902 CZ PHE A 60 7.248 6.651 5.290 1.00 0.00 C ATOM 0 H PHE A 60 11.584 5.339 1.038 1.00 0.00 H new ATOM 0 HA PHE A 60 10.783 4.118 3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.789 5.768 1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.733 4.370 1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.797 3.707 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.362 7.523 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.538 4.686 5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.101 8.504 4.721 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.703 7.076 6.120 1.00 0.00 H new ATOM 911 N ASP A 61 10.592 2.282 0.777 1.00 0.00 N ATOM 912 CA ASP A 61 10.348 0.935 0.289 1.00 0.00 C ATOM 913 C ASP A 61 11.091 -0.066 1.178 1.00 0.00 C ATOM 914 O ASP A 61 10.558 -1.125 1.504 1.00 0.00 O ATOM 915 CB ASP A 61 10.863 0.766 -1.142 1.00 0.00 C ATOM 916 CG ASP A 61 10.770 -0.655 -1.699 1.00 0.00 C ATOM 917 OD1 ASP A 61 9.678 -1.250 -1.560 1.00 0.00 O ATOM 918 OD2 ASP A 61 11.792 -1.117 -2.252 1.00 0.00 O ATOM 0 H ASP A 61 11.008 2.915 0.093 1.00 0.00 H new ATOM 0 HA ASP A 61 9.273 0.758 0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.301 1.434 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.904 1.087 -1.178 1.00 0.00 H new ATOM 922 N ALA A 62 12.309 0.306 1.544 1.00 0.00 N ATOM 923 CA ALA A 62 13.129 -0.546 2.389 1.00 0.00 C ATOM 924 C ALA A 62 12.619 -0.470 3.829 1.00 0.00 C ATOM 925 O ALA A 62 12.527 -1.488 4.513 1.00 0.00 O ATOM 926 CB ALA A 62 14.595 -0.127 2.265 1.00 0.00 C ATOM 0 H ALA A 62 12.748 1.185 1.271 1.00 0.00 H new ATOM 0 HA ALA A 62 13.060 -1.586 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.211 -0.765 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.916 -0.227 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.705 0.911 2.580 1.00 0.00 H new ATOM 932 N GLU A 63 12.302 0.746 4.247 1.00 0.00 N ATOM 933 CA GLU A 63 11.804 0.968 5.595 1.00 0.00 C ATOM 934 C GLU A 63 10.487 0.220 5.804 1.00 0.00 C ATOM 935 O GLU A 63 10.188 -0.222 6.913 1.00 0.00 O ATOM 936 CB GLU A 63 11.639 2.462 5.879 1.00 0.00 C ATOM 937 CG GLU A 63 12.830 3.006 6.669 1.00 0.00 C ATOM 938 CD GLU A 63 12.418 4.206 7.525 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.528 4.953 7.064 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.002 4.350 8.620 1.00 0.00 O ATOM 0 H GLU A 63 12.380 1.588 3.677 1.00 0.00 H new ATOM 0 HA GLU A 63 12.536 0.577 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.543 3.006 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.719 2.630 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.236 2.222 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.623 3.300 5.982 1.00 0.00 H new ATOM 945 N ILE A 64 9.733 0.102 4.721 1.00 0.00 N ATOM 946 CA ILE A 64 8.453 -0.585 4.772 1.00 0.00 C ATOM 947 C ILE A 64 8.667 -2.075 4.491 1.00 0.00 C ATOM 948 O ILE A 64 7.910 -2.916 4.972 1.00 0.00 O ATOM 949 CB ILE A 64 7.448 0.079 3.828 1.00 0.00 C ATOM 950 CG1 ILE A 64 6.756 1.261 4.510 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.445 -0.941 3.288 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.464 0.818 5.196 1.00 0.00 C ATOM 0 H ILE A 64 9.983 0.470 3.803 1.00 0.00 H new ATOM 0 HA ILE A 64 8.019 -0.506 5.769 1.00 0.00 H new ATOM 0 HB ILE A 64 7.993 0.476 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.428 1.706 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.534 2.032 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.743 -0.442 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.977 -1.719 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.900 -1.390 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.992 1.677 5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.785 0.396 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.692 0.065 5.950 1.00 0.00 H new ATOM 963 N CYS A 65 9.702 -2.354 3.713 1.00 0.00 N ATOM 964 CA CYS A 65 10.027 -3.728 3.362 1.00 0.00 C ATOM 965 C CYS A 65 10.719 -4.377 4.561 1.00 0.00 C ATOM 966 O CYS A 65 10.602 -5.584 4.771 1.00 0.00 O ATOM 967 CB CYS A 65 10.886 -3.800 2.098 1.00 0.00 C ATOM 968 SG CYS A 65 11.341 -5.539 1.752 1.00 0.00 S ATOM 0 H CYS A 65 10.327 -1.653 3.315 1.00 0.00 H new ATOM 0 HA CYS A 65 9.113 -4.275 3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.339 -3.383 1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.786 -3.198 2.224 1.00 0.00 H new ATOM 0 HG CYS A 65 11.103 -6.267 2.802 1.00 0.00 H new ATOM 973 N ILE A 66 11.427 -3.550 5.317 1.00 0.00 N ATOM 974 CA ILE A 66 12.138 -4.030 6.489 1.00 0.00 C ATOM 975 C ILE A 66 11.158 -4.756 7.413 1.00 0.00 C ATOM 976 O ILE A 66 11.393 -5.901 7.799 1.00 0.00 O ATOM 977 CB ILE A 66 12.889 -2.883 7.167 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.371 -2.895 6.785 1.00 0.00 C ATOM 979 CG2 ILE A 66 12.689 -2.917 8.685 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.544 -2.881 5.265 1.00 0.00 C ATOM 0 H ILE A 66 11.523 -2.550 5.140 1.00 0.00 H new ATOM 0 HA ILE A 66 12.901 -4.754 6.202 1.00 0.00 H new ATOM 0 HB ILE A 66 12.471 -1.943 6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.870 -2.029 7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.851 -3.781 7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.234 -2.091 9.142 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.628 -2.823 8.914 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.063 -3.861 9.080 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.606 -2.890 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.065 -3.761 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.084 -1.982 4.855 1.00 0.00 H new ATOM 991 N PRO A 67 10.052 -4.042 7.753 1.00 0.00 N ATOM 992 CA PRO A 67 9.036 -4.605 8.626 1.00 0.00 C ATOM 993 C PRO A 67 8.185 -5.636 7.883 1.00 0.00 C ATOM 994 O PRO A 67 7.259 -6.211 8.455 1.00 0.00 O ATOM 995 CB PRO A 67 8.232 -3.412 9.113 1.00 0.00 C ATOM 996 CG PRO A 67 8.528 -2.282 8.140 1.00 0.00 C ATOM 997 CD PRO A 67 9.740 -2.684 7.314 1.00 0.00 C ATOM 0 HA PRO A 67 9.461 -5.153 9.467 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.167 -3.641 9.132 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.517 -3.137 10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.669 -2.100 7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.724 -1.355 8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.520 -2.653 6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.579 -2.009 7.486 1.00 0.00 H new ATOM 1002 N ASN A 68 8.528 -5.839 6.620 1.00 0.00 N ATOM 1003 CA ASN A 68 7.805 -6.791 5.791 1.00 0.00 C ATOM 1004 C ASN A 68 8.583 -8.107 5.739 1.00 0.00 C ATOM 1005 O ASN A 68 9.814 -8.105 5.724 1.00 0.00 O ATOM 1006 CB ASN A 68 7.654 -6.271 4.360 1.00 0.00 C ATOM 1007 CG ASN A 68 6.823 -4.989 4.327 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.192 -4.601 5.298 1.00 0.00 O ATOM 1009 ND2 ASN A 68 6.857 -4.351 3.160 1.00 0.00 N ATOM 0 H ASN A 68 9.297 -5.361 6.149 1.00 0.00 H new ATOM 0 HA ASN A 68 6.816 -6.937 6.226 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.639 -6.081 3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.179 -7.032 3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.335 -3.483 3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.405 -4.730 2.388 1.00 0.00 H new ATOM 1015 N GLU A 69 7.835 -9.199 5.709 1.00 0.00 N ATOM 1016 CA GLU A 69 8.440 -10.519 5.657 1.00 0.00 C ATOM 1017 C GLU A 69 7.825 -11.340 4.520 1.00 0.00 C ATOM 1018 O GLU A 69 7.187 -12.363 4.763 1.00 0.00 O ATOM 1019 CB GLU A 69 8.293 -11.243 6.997 1.00 0.00 C ATOM 1020 CG GLU A 69 9.541 -11.054 7.861 1.00 0.00 C ATOM 1021 CD GLU A 69 10.000 -12.385 8.461 1.00 0.00 C ATOM 1022 OE1 GLU A 69 9.435 -12.759 9.511 1.00 0.00 O ATOM 1023 OE2 GLU A 69 10.904 -13.000 7.855 1.00 0.00 O ATOM 0 H GLU A 69 6.815 -9.197 5.720 1.00 0.00 H new ATOM 0 HA GLU A 69 9.506 -10.401 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.419 -10.863 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.124 -12.306 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.343 -10.627 7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.330 -10.344 8.661 1.00 0.00 H new ATOM 1028 N GLY A 70 8.040 -10.860 3.304 1.00 0.00 N ATOM 1029 CA GLY A 70 7.515 -11.536 2.130 1.00 0.00 C ATOM 1030 C GLY A 70 7.697 -10.678 0.876 1.00 0.00 C ATOM 1031 O GLY A 70 8.546 -9.788 0.847 1.00 0.00 O ATOM 0 H GLY A 70 8.570 -10.011 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.023 -12.491 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.457 -11.755 2.275 1.00 0.00 H new ATOM 1035 N HIS A 71 6.888 -10.976 -0.129 1.00 0.00 N ATOM 1036 CA HIS A 71 6.948 -10.244 -1.382 1.00 0.00 C ATOM 1037 C HIS A 71 5.885 -9.141 -1.384 1.00 0.00 C ATOM 1038 O HIS A 71 4.838 -9.283 -0.755 1.00 0.00 O ATOM 1039 CB HIS A 71 6.818 -11.192 -2.574 1.00 0.00 C ATOM 1040 CG HIS A 71 7.961 -12.171 -2.707 1.00 0.00 C ATOM 1041 ND1 HIS A 71 7.768 -13.537 -2.825 1.00 0.00 N ATOM 1042 CD2 HIS A 71 9.309 -11.968 -2.740 1.00 0.00 C ATOM 1043 CE1 HIS A 71 8.954 -14.118 -2.923 1.00 0.00 C ATOM 1044 NE2 HIS A 71 9.907 -13.145 -2.870 1.00 0.00 N ATOM 0 H HIS A 71 6.186 -11.716 -0.101 1.00 0.00 H new ATOM 0 HA HIS A 71 7.922 -9.764 -1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.885 -11.748 -2.483 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.749 -10.603 -3.488 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.806 -11.011 -2.672 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.135 -15.178 -3.027 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.914 -13.297 -2.922 1.00 0.00 H new ATOM 1051 N ILE A 72 6.195 -8.067 -2.096 1.00 0.00 N ATOM 1052 CA ILE A 72 5.279 -6.942 -2.187 1.00 0.00 C ATOM 1053 C ILE A 72 5.381 -6.320 -3.581 1.00 0.00 C ATOM 1054 O ILE A 72 6.456 -6.299 -4.179 1.00 0.00 O ATOM 1055 CB ILE A 72 5.535 -5.950 -1.051 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.491 -4.841 -1.497 1.00 0.00 C ATOM 1057 CG2 ILE A 72 6.037 -6.669 0.202 1.00 0.00 C ATOM 1058 CD1 ILE A 72 6.886 -3.950 -0.316 1.00 0.00 C ATOM 0 H ILE A 72 7.066 -7.952 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 72 4.249 -7.277 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 72 4.589 -5.475 -0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.384 -5.282 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.017 -4.237 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.211 -5.941 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.290 -7.391 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.968 -7.188 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.566 -3.170 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.993 -3.492 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.381 -4.553 0.445 1.00 0.00 H new ATOM 1069 N LYS A 73 4.247 -5.829 -4.060 1.00 0.00 N ATOM 1070 CA LYS A 73 4.195 -5.211 -5.373 1.00 0.00 C ATOM 1071 C LYS A 73 3.473 -3.866 -5.269 1.00 0.00 C ATOM 1072 O LYS A 73 2.567 -3.704 -4.451 1.00 0.00 O ATOM 1073 CB LYS A 73 3.571 -6.166 -6.393 1.00 0.00 C ATOM 1074 CG LYS A 73 2.064 -5.933 -6.511 1.00 0.00 C ATOM 1075 CD LYS A 73 1.290 -7.234 -6.290 1.00 0.00 C ATOM 1076 CE LYS A 73 -0.061 -7.197 -7.007 1.00 0.00 C ATOM 1077 NZ LYS A 73 -0.141 -8.275 -8.018 1.00 0.00 N ATOM 0 H LYS A 73 3.357 -5.847 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 73 5.202 -5.007 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.042 -6.023 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.761 -7.197 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.749 -5.189 -5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.831 -5.530 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.877 -8.077 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.135 -7.392 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.867 -7.310 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.198 -6.228 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.064 -8.236 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.617 -8.150 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.032 -9.198 -7.551 1.00 0.00 H new ATOM 1087 N TYR A 74 3.900 -2.934 -6.108 1.00 0.00 N ATOM 1088 CA TYR A 74 3.305 -1.609 -6.121 1.00 0.00 C ATOM 1089 C TYR A 74 3.181 -1.077 -7.551 1.00 0.00 C ATOM 1090 O TYR A 74 3.845 -1.570 -8.460 1.00 0.00 O ATOM 1091 CB TYR A 74 4.263 -0.708 -5.337 1.00 0.00 C ATOM 1092 CG TYR A 74 5.736 -0.896 -5.707 1.00 0.00 C ATOM 1093 CD1 TYR A 74 6.217 -0.394 -6.899 1.00 0.00 C ATOM 1094 CD2 TYR A 74 6.583 -1.567 -4.849 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.603 -0.569 -7.247 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.968 -1.744 -5.197 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.411 -1.236 -6.378 1.00 0.00 C ATOM 1098 OH TYR A 74 9.720 -1.402 -6.708 1.00 0.00 O ATOM 0 H TYR A 74 4.651 -3.071 -6.784 1.00 0.00 H new ATOM 0 HA TYR A 74 2.305 -1.634 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.987 0.333 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.139 -0.902 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.554 0.130 -7.571 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.206 -1.959 -3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.993 -0.180 -8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.641 -2.269 -4.535 1.00 0.00 H new ATOM 0 HH TYR A 74 10.177 -1.895 -5.995 1.00 0.00 H new ATOM 1107 N GLU A 75 2.323 -0.077 -7.703 1.00 0.00 N ATOM 1108 CA GLU A 75 2.104 0.527 -9.007 1.00 0.00 C ATOM 1109 C GLU A 75 1.951 2.043 -8.870 1.00 0.00 C ATOM 1110 O GLU A 75 1.056 2.521 -8.176 1.00 0.00 O ATOM 1111 CB GLU A 75 0.883 -0.087 -9.696 1.00 0.00 C ATOM 1112 CG GLU A 75 1.247 -0.615 -11.085 1.00 0.00 C ATOM 1113 CD GLU A 75 1.203 -2.144 -11.120 1.00 0.00 C ATOM 1114 OE1 GLU A 75 1.791 -2.749 -10.198 1.00 0.00 O ATOM 1115 OE2 GLU A 75 0.581 -2.674 -12.066 1.00 0.00 O ATOM 0 H GLU A 75 1.773 0.329 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 75 2.974 0.324 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.487 -0.899 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.095 0.661 -9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.555 -0.211 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.244 -0.270 -11.359 1.00 0.00 H new ATOM 1120 N ILE A 76 2.839 2.758 -9.543 1.00 0.00 N ATOM 1121 CA ILE A 76 2.814 4.211 -9.508 1.00 0.00 C ATOM 1122 C ILE A 76 2.619 4.749 -10.927 1.00 0.00 C ATOM 1123 O ILE A 76 3.480 4.568 -11.787 1.00 0.00 O ATOM 1124 CB ILE A 76 4.066 4.750 -8.811 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.873 4.791 -7.294 1.00 0.00 C ATOM 1126 CG2 ILE A 76 4.461 6.116 -9.377 1.00 0.00 C ATOM 1127 CD1 ILE A 76 5.090 5.413 -6.605 1.00 0.00 C ATOM 0 H ILE A 76 3.582 2.358 -10.117 1.00 0.00 H new ATOM 0 HA ILE A 76 1.970 4.564 -8.916 1.00 0.00 H new ATOM 0 HB ILE A 76 4.892 4.067 -9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.980 5.367 -7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.713 3.781 -6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.353 6.478 -8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.667 6.022 -10.443 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.645 6.822 -9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.928 5.431 -5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.977 4.821 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.232 6.431 -6.967 1.00 0.00 H new ATOM 1138 N SER A 77 1.483 5.399 -11.127 1.00 0.00 N ATOM 1139 CA SER A 77 1.164 5.965 -12.427 1.00 0.00 C ATOM 1140 C SER A 77 1.504 7.456 -12.447 1.00 0.00 C ATOM 1141 O SER A 77 0.971 8.228 -11.654 1.00 0.00 O ATOM 1142 CB SER A 77 -0.311 5.752 -12.773 1.00 0.00 C ATOM 1143 OG SER A 77 -0.688 4.381 -12.683 1.00 0.00 O ATOM 0 H SER A 77 0.772 5.547 -10.411 1.00 0.00 H new ATOM 0 HA SER A 77 1.764 5.453 -13.179 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.931 6.343 -12.099 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.503 6.115 -13.783 1.00 0.00 H new ATOM 0 HG SER A 77 -1.637 4.287 -12.910 1.00 0.00 H new ATOM 1148 N SER A 78 2.393 7.816 -13.363 1.00 0.00 N ATOM 1149 CA SER A 78 2.810 9.200 -13.498 1.00 0.00 C ATOM 1150 C SER A 78 1.584 10.111 -13.579 1.00 0.00 C ATOM 1151 O SER A 78 1.657 11.290 -13.233 1.00 0.00 O ATOM 1152 CB SER A 78 3.696 9.393 -14.730 1.00 0.00 C ATOM 1153 OG SER A 78 4.774 8.462 -14.762 1.00 0.00 O ATOM 0 H SER A 78 2.835 7.172 -14.018 1.00 0.00 H new ATOM 0 HA SER A 78 3.396 9.466 -12.618 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.093 9.281 -15.631 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.093 10.408 -14.736 1.00 0.00 H new ATOM 0 HG SER A 78 5.316 8.616 -15.564 1.00 0.00 H new ATOM 1158 N ASP A 79 0.484 9.533 -14.038 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.756 10.276 -14.169 1.00 0.00 C ATOM 1160 C ASP A 79 -1.193 10.779 -12.793 1.00 0.00 C ATOM 1161 O ASP A 79 -1.942 11.750 -12.689 1.00 0.00 O ATOM 1162 CB ASP A 79 -1.874 9.392 -14.727 1.00 0.00 C ATOM 1163 CG ASP A 79 -1.897 9.265 -16.252 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -1.640 10.296 -16.911 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -2.173 8.141 -16.723 1.00 0.00 O ATOM 0 H ASP A 79 0.427 8.556 -14.324 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.579 11.107 -14.852 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.778 8.396 -14.296 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.832 9.792 -14.396 1.00 0.00 H new ATOM 1169 N GLY A 80 -0.708 10.093 -11.767 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.040 10.458 -10.399 1.00 0.00 C ATOM 1171 C GLY A 80 -1.888 9.373 -9.734 1.00 0.00 C ATOM 1172 O GLY A 80 -2.843 9.676 -9.020 1.00 0.00 O ATOM 0 H GLY A 80 -0.089 9.287 -11.855 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.125 10.611 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.582 11.404 -10.392 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.509 8.129 -9.991 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.224 6.996 -9.426 1.00 0.00 C ATOM 1178 C LEU A 81 -1.226 6.058 -8.746 1.00 0.00 C ATOM 1179 O LEU A 81 -0.279 5.590 -9.376 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.080 6.315 -10.496 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.509 5.955 -10.083 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -5.332 7.213 -9.804 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.172 5.058 -11.130 1.00 0.00 C ATOM 0 H LEU A 81 -0.716 7.881 -10.583 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.922 7.329 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.128 6.970 -11.366 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.574 5.403 -10.812 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.463 5.387 -9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.343 6.929 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.868 7.780 -8.997 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.373 7.828 -10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.186 4.817 -10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.205 5.579 -12.087 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.597 4.138 -11.238 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.473 5.809 -7.468 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.607 4.935 -6.695 1.00 0.00 C ATOM 1196 C ILE A 82 -1.440 3.805 -6.091 1.00 0.00 C ATOM 1197 O ILE A 82 -2.486 4.050 -5.489 1.00 0.00 O ATOM 1198 CB ILE A 82 0.181 5.739 -5.660 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.861 6.949 -6.306 1.00 0.00 C ATOM 1200 CG2 ILE A 82 1.180 4.850 -4.917 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.068 8.164 -6.305 1.00 0.00 C ATOM 0 H ILE A 82 -2.260 6.197 -6.949 1.00 0.00 H new ATOM 0 HA ILE A 82 0.140 4.472 -7.340 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.522 6.121 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.778 7.187 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.148 6.706 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.726 5.448 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.645 4.051 -4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.882 4.417 -5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.439 9.010 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.973 7.931 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.333 8.419 -5.279 1.00 0.00 H new ATOM 1212 N VAL A 83 -0.948 2.588 -6.270 1.00 0.00 N ATOM 1213 CA VAL A 83 -1.636 1.417 -5.751 1.00 0.00 C ATOM 1214 C VAL A 83 -0.636 0.533 -5.004 1.00 0.00 C ATOM 1215 O VAL A 83 0.527 0.439 -5.393 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.350 0.682 -6.888 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.349 0.192 -7.937 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.191 -0.476 -6.350 1.00 0.00 C ATOM 0 H VAL A 83 -0.081 2.387 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.406 1.712 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.025 1.388 -7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.882 -0.327 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.813 1.044 -8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.639 -0.491 -7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.687 -0.981 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.546 -1.183 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.940 -0.091 -5.659 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.125 -0.093 -3.943 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.289 -0.966 -3.138 1.00 0.00 C ATOM 1230 C LEU A 84 -0.976 -2.324 -2.984 1.00 0.00 C ATOM 1231 O LEU A 84 -2.105 -2.401 -2.502 1.00 0.00 O ATOM 1232 CB LEU A 84 0.056 -0.297 -1.806 1.00 0.00 C ATOM 1233 CG LEU A 84 1.508 -0.433 -1.343 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.728 -1.760 -0.613 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.477 -0.256 -2.514 1.00 0.00 C ATOM 0 H LEU A 84 -2.090 -0.012 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 84 0.664 -1.146 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.182 0.764 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.591 -0.714 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 84 1.715 0.366 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.768 -1.832 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.077 -1.807 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.496 -2.587 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.502 -0.357 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.279 -1.017 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.342 0.733 -2.952 1.00 0.00 H new ATOM 1246 N MET A 85 -0.266 -3.362 -3.402 1.00 0.00 N ATOM 1247 CA MET A 85 -0.794 -4.712 -3.316 1.00 0.00 C ATOM 1248 C MET A 85 0.097 -5.595 -2.441 1.00 0.00 C ATOM 1249 O MET A 85 1.277 -5.782 -2.736 1.00 0.00 O ATOM 1250 CB MET A 85 -0.885 -5.315 -4.720 1.00 0.00 C ATOM 1251 CG MET A 85 -1.533 -4.332 -5.697 1.00 0.00 C ATOM 1252 SD MET A 85 -0.318 -3.733 -6.859 1.00 0.00 S ATOM 1253 CE MET A 85 -0.074 -2.082 -6.232 1.00 0.00 C ATOM 0 H MET A 85 0.670 -3.295 -3.801 1.00 0.00 H new ATOM 0 HA MET A 85 -1.785 -4.666 -2.864 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.112 -5.579 -5.072 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.466 -6.237 -4.687 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.348 -4.821 -6.231 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.967 -3.496 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 85 0.228 -1.424 -7.047 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.004 -1.717 -5.796 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.704 -2.094 -5.469 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.501 -6.114 -1.377 1.00 0.00 N ATOM 1262 CA LEU A 86 0.224 -6.973 -0.457 1.00 0.00 C ATOM 1263 C LEU A 86 -0.569 -8.263 -0.239 1.00 0.00 C ATOM 1264 O LEU A 86 -1.799 -8.247 -0.236 1.00 0.00 O ATOM 1265 CB LEU A 86 0.544 -6.223 0.838 1.00 0.00 C ATOM 1266 CG LEU A 86 0.933 -4.751 0.680 1.00 0.00 C ATOM 1267 CD1 LEU A 86 0.715 -3.984 1.986 1.00 0.00 C ATOM 1268 CD2 LEU A 86 2.369 -4.615 0.169 1.00 0.00 C ATOM 0 H LEU A 86 -1.479 -5.956 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 86 1.187 -7.257 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.326 -6.281 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.359 -6.742 1.344 1.00 0.00 H new ATOM 0 HG LEU A 86 0.281 -4.304 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.999 -2.941 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.336 -4.039 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.327 -4.425 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.620 -3.559 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.053 -5.083 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.458 -5.106 -0.800 1.00 0.00 H new ATOM 1279 N ASP A 87 0.168 -9.350 -0.062 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.452 -10.646 0.158 1.00 0.00 C ATOM 1281 C ASP A 87 -0.958 -10.727 1.600 1.00 0.00 C ATOM 1282 O ASP A 87 -0.582 -9.911 2.441 1.00 0.00 O ATOM 1283 CB ASP A 87 0.554 -11.779 -0.053 1.00 0.00 C ATOM 1284 CG ASP A 87 0.615 -12.332 -1.479 1.00 0.00 C ATOM 1285 OD1 ASP A 87 0.958 -11.537 -2.381 1.00 0.00 O ATOM 1286 OD2 ASP A 87 0.319 -13.536 -1.635 1.00 0.00 O ATOM 0 H ASP A 87 1.188 -9.360 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.272 -10.753 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.545 -11.421 0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.308 -12.595 0.627 1.00 0.00 H new ATOM 1290 N LYS A 88 -1.804 -11.718 1.842 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.366 -11.915 3.167 1.00 0.00 C ATOM 1292 C LYS A 88 -1.254 -12.339 4.129 1.00 0.00 C ATOM 1293 O LYS A 88 -1.291 -12.002 5.312 1.00 0.00 O ATOM 1294 CB LYS A 88 -3.539 -12.898 3.111 1.00 0.00 C ATOM 1295 CG LYS A 88 -4.180 -13.063 4.490 1.00 0.00 C ATOM 1296 CD LYS A 88 -5.210 -11.962 4.751 1.00 0.00 C ATOM 1297 CE LYS A 88 -5.535 -11.857 6.243 1.00 0.00 C ATOM 1298 NZ LYS A 88 -6.928 -11.398 6.439 1.00 0.00 N ATOM 0 H LYS A 88 -2.114 -12.393 1.143 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.780 -10.982 3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.284 -12.541 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.191 -13.866 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.661 -14.039 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.409 -13.034 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.826 -11.007 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.121 -12.171 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.395 -12.827 6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.846 -11.162 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.132 -11.332 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.050 -10.463 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.582 -12.076 5.998 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.293 -13.070 3.588 1.00 0.00 N ATOM 1309 CA GLU A 89 0.828 -13.542 4.383 1.00 0.00 C ATOM 1310 C GLU A 89 1.687 -12.363 4.843 1.00 0.00 C ATOM 1311 O GLU A 89 2.541 -12.516 5.715 1.00 0.00 O ATOM 1312 CB GLU A 89 1.665 -14.559 3.603 1.00 0.00 C ATOM 1313 CG GLU A 89 2.165 -13.961 2.287 1.00 0.00 C ATOM 1314 CD GLU A 89 1.591 -14.719 1.086 1.00 0.00 C ATOM 1315 OE1 GLU A 89 0.460 -15.232 1.228 1.00 0.00 O ATOM 1316 OE2 GLU A 89 2.298 -14.771 0.058 1.00 0.00 O ATOM 0 H GLU A 89 -0.267 -13.348 2.607 1.00 0.00 H new ATOM 0 HA GLU A 89 0.434 -14.046 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.514 -14.877 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.068 -15.448 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.879 -12.911 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.254 -13.997 2.258 1.00 0.00 H new ATOM 1321 N ILE A 90 1.429 -11.214 4.238 1.00 0.00 N ATOM 1322 CA ILE A 90 2.169 -10.009 4.573 1.00 0.00 C ATOM 1323 C ILE A 90 1.184 -8.892 4.925 1.00 0.00 C ATOM 1324 O ILE A 90 1.472 -7.715 4.714 1.00 0.00 O ATOM 1325 CB ILE A 90 3.136 -9.642 3.446 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.390 -9.023 2.262 1.00 0.00 C ATOM 1327 CG2 ILE A 90 3.974 -10.853 3.026 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.370 -8.483 1.218 1.00 0.00 C ATOM 0 H ILE A 90 0.718 -11.091 3.517 1.00 0.00 H new ATOM 0 HA ILE A 90 2.790 -10.177 5.453 1.00 0.00 H new ATOM 0 HB ILE A 90 3.826 -8.887 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.742 -9.771 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.747 -8.216 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.653 -10.565 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.551 -11.210 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.315 -11.648 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.814 -8.049 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.000 -7.718 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.995 -9.297 0.850 1.00 0.00 H new ATOM 1339 N GLU A 91 0.041 -9.300 5.456 1.00 0.00 N ATOM 1340 CA GLU A 91 -0.988 -8.350 5.840 1.00 0.00 C ATOM 1341 C GLU A 91 -0.401 -7.270 6.750 1.00 0.00 C ATOM 1342 O GLU A 91 -0.932 -6.163 6.829 1.00 0.00 O ATOM 1343 CB GLU A 91 -2.166 -9.057 6.515 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.311 -8.080 6.784 1.00 0.00 C ATOM 1345 CD GLU A 91 -4.149 -8.535 7.981 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -4.131 -9.755 8.256 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -4.789 -7.654 8.594 1.00 0.00 O ATOM 0 H GLU A 91 -0.195 -10.277 5.629 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.366 -7.870 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.519 -9.870 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.837 -9.504 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.908 -7.085 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.944 -8.004 5.900 1.00 0.00 H new ATOM 1352 N GLU A 92 0.686 -7.629 7.417 1.00 0.00 N ATOM 1353 CA GLU A 92 1.350 -6.706 8.320 1.00 0.00 C ATOM 1354 C GLU A 92 1.727 -5.421 7.583 1.00 0.00 C ATOM 1355 O GLU A 92 1.476 -4.321 8.076 1.00 0.00 O ATOM 1356 CB GLU A 92 2.583 -7.353 8.957 1.00 0.00 C ATOM 1357 CG GLU A 92 3.604 -7.752 7.892 1.00 0.00 C ATOM 1358 CD GLU A 92 4.635 -8.729 8.461 1.00 0.00 C ATOM 1359 OE1 GLU A 92 4.879 -8.651 9.684 1.00 0.00 O ATOM 1360 OE2 GLU A 92 5.157 -9.534 7.659 1.00 0.00 O ATOM 0 H GLU A 92 1.124 -8.548 7.350 1.00 0.00 H new ATOM 0 HA GLU A 92 0.657 -6.452 9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.040 -6.658 9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.283 -8.233 9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.092 -8.210 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.109 -6.862 7.516 1.00 0.00 H new ATOM 1365 N VAL A 93 2.321 -5.599 6.412 1.00 0.00 N ATOM 1366 CA VAL A 93 2.734 -4.467 5.601 1.00 0.00 C ATOM 1367 C VAL A 93 1.506 -3.629 5.239 1.00 0.00 C ATOM 1368 O VAL A 93 1.594 -2.407 5.125 1.00 0.00 O ATOM 1369 CB VAL A 93 3.507 -4.955 4.375 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.616 -5.810 3.469 1.00 0.00 C ATOM 1371 CG2 VAL A 93 4.108 -3.779 3.601 1.00 0.00 C ATOM 0 H VAL A 93 2.526 -6.512 6.005 1.00 0.00 H new ATOM 0 HA VAL A 93 3.413 -3.824 6.161 1.00 0.00 H new ATOM 0 HB VAL A 93 4.328 -5.581 4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.190 -6.144 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.258 -6.677 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.765 -5.218 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.652 -4.154 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.309 -3.116 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.791 -3.229 4.248 1.00 0.00 H new ATOM 1381 N VAL A 94 0.388 -4.321 5.068 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.857 -3.656 4.721 1.00 0.00 C ATOM 1383 C VAL A 94 -1.140 -2.549 5.738 1.00 0.00 C ATOM 1384 O VAL A 94 -1.418 -1.412 5.363 1.00 0.00 O ATOM 1385 CB VAL A 94 -1.987 -4.682 4.623 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -3.014 -4.475 5.737 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.655 -4.633 3.247 1.00 0.00 C ATOM 0 H VAL A 94 0.319 -5.334 5.163 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.779 -3.184 3.742 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.551 -5.673 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.806 -5.218 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.527 -4.584 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.442 -3.476 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.455 -5.372 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.070 -3.639 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.916 -4.852 2.476 1.00 0.00 H new ATOM 1397 N GLU A 95 -1.062 -2.922 7.007 1.00 0.00 N ATOM 1398 CA GLU A 95 -1.305 -1.974 8.082 1.00 0.00 C ATOM 1399 C GLU A 95 -0.151 -0.977 8.183 1.00 0.00 C ATOM 1400 O GLU A 95 -0.354 0.181 8.546 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.522 -2.698 9.413 1.00 0.00 C ATOM 1402 CG GLU A 95 -2.327 -3.984 9.211 1.00 0.00 C ATOM 1403 CD GLU A 95 -3.029 -4.400 10.506 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -2.302 -4.808 11.439 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -4.274 -4.301 10.534 1.00 0.00 O ATOM 0 H GLU A 95 -0.834 -3.867 7.315 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.216 -1.422 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.558 -2.935 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.046 -2.041 10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.066 -3.835 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.665 -4.784 8.879 1.00 0.00 H new ATOM 1410 N LYS A 96 1.039 -1.461 7.855 1.00 0.00 N ATOM 1411 CA LYS A 96 2.227 -0.626 7.905 1.00 0.00 C ATOM 1412 C LYS A 96 2.187 0.378 6.752 1.00 0.00 C ATOM 1413 O LYS A 96 2.720 1.481 6.866 1.00 0.00 O ATOM 1414 CB LYS A 96 3.489 -1.490 7.924 1.00 0.00 C ATOM 1415 CG LYS A 96 3.383 -2.594 8.978 1.00 0.00 C ATOM 1416 CD LYS A 96 4.479 -2.448 10.036 1.00 0.00 C ATOM 1417 CE LYS A 96 4.091 -3.166 11.331 1.00 0.00 C ATOM 1418 NZ LYS A 96 4.887 -2.655 12.467 1.00 0.00 N ATOM 0 H LYS A 96 1.205 -2.421 7.554 1.00 0.00 H new ATOM 0 HA LYS A 96 2.249 -0.050 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.644 -1.935 6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.358 -0.866 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.404 -2.553 9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.463 -3.569 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.414 -2.858 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.654 -1.392 10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.029 -3.021 11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.251 -4.239 11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.610 -3.153 13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.898 -2.816 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.714 -1.636 12.582 1.00 0.00 H new ATOM 1428 N VAL A 97 1.549 -0.038 5.667 1.00 0.00 N ATOM 1429 CA VAL A 97 1.432 0.812 4.496 1.00 0.00 C ATOM 1430 C VAL A 97 0.396 1.905 4.763 1.00 0.00 C ATOM 1431 O VAL A 97 0.631 3.074 4.465 1.00 0.00 O ATOM 1432 CB VAL A 97 1.101 -0.037 3.265 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.277 0.763 2.253 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.375 -0.590 2.622 1.00 0.00 C ATOM 0 H VAL A 97 1.108 -0.953 5.575 1.00 0.00 H new ATOM 0 HA VAL A 97 2.380 1.308 4.289 1.00 0.00 H new ATOM 0 HB VAL A 97 0.498 -0.883 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.055 0.137 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.656 1.085 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.844 1.637 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.112 -1.189 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.016 0.237 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.906 -1.212 3.343 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.728 1.485 5.325 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.802 2.413 5.635 1.00 0.00 C ATOM 1446 C LYS A 98 -1.280 3.484 6.596 1.00 0.00 C ATOM 1447 O LYS A 98 -1.517 4.674 6.392 1.00 0.00 O ATOM 1448 CB LYS A 98 -3.026 1.660 6.160 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.988 1.317 5.020 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.401 1.069 5.552 1.00 0.00 C ATOM 1451 CE LYS A 98 -6.210 2.368 5.588 1.00 0.00 C ATOM 1452 NZ LYS A 98 -5.993 3.078 6.868 1.00 0.00 N ATOM 0 H LYS A 98 -0.918 0.514 5.574 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.136 2.926 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.708 0.745 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.540 2.268 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.006 2.132 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.633 0.431 4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.908 0.338 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.347 0.643 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.918 3.009 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.270 2.147 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.833 3.647 7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.828 2.385 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.165 3.702 6.783 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.582 3.023 7.625 1.00 0.00 N ATOM 1463 CA LYS A 99 -0.026 3.927 8.616 1.00 0.00 C ATOM 1464 C LYS A 99 1.093 4.752 7.979 1.00 0.00 C ATOM 1465 O LYS A 99 1.272 5.923 8.311 1.00 0.00 O ATOM 1466 CB LYS A 99 0.413 3.152 9.860 1.00 0.00 C ATOM 1467 CG LYS A 99 1.493 2.124 9.513 1.00 0.00 C ATOM 1468 CD LYS A 99 2.888 2.746 9.600 1.00 0.00 C ATOM 1469 CE LYS A 99 3.587 2.344 10.901 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.388 3.382 11.938 1.00 0.00 N ATOM 0 H LYS A 99 -0.390 2.035 7.793 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.785 4.631 8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.794 3.846 10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.447 2.647 10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.426 1.276 10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.324 1.739 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.487 2.426 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.810 3.832 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.194 1.390 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.652 2.202 10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.868 3.094 12.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.784 4.284 11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.371 3.498 12.123 1.00 0.00 H new ATOM 1480 N PHE A 100 1.817 4.109 7.074 1.00 0.00 N ATOM 1481 CA PHE A 100 2.914 4.770 6.387 1.00 0.00 C ATOM 1482 C PHE A 100 2.406 5.931 5.529 1.00 0.00 C ATOM 1483 O PHE A 100 2.887 7.056 5.653 1.00 0.00 O ATOM 1484 CB PHE A 100 3.564 3.726 5.477 1.00 0.00 C ATOM 1485 CG PHE A 100 4.001 4.272 4.117 1.00 0.00 C ATOM 1486 CD1 PHE A 100 4.657 5.461 4.039 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.733 3.568 2.984 1.00 0.00 C ATOM 1488 CE1 PHE A 100 5.062 5.968 2.775 1.00 0.00 C ATOM 1489 CE2 PHE A 100 4.136 4.075 1.720 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.793 5.264 1.643 1.00 0.00 C ATOM 0 H PHE A 100 1.665 3.138 6.801 1.00 0.00 H new ATOM 0 HA PHE A 100 3.619 5.173 7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.433 3.307 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.861 2.908 5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.870 6.020 4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 100 3.214 2.623 3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.583 6.912 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.921 3.517 0.821 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.101 5.649 0.682 1.00 0.00 H new ATOM 1499 N VAL A 101 1.438 5.616 4.679 1.00 0.00 N ATOM 1500 CA VAL A 101 0.860 6.619 3.802 1.00 0.00 C ATOM 1501 C VAL A 101 0.283 7.758 4.646 1.00 0.00 C ATOM 1502 O VAL A 101 0.588 8.926 4.412 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.178 5.972 2.882 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -0.879 7.026 2.021 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.460 4.889 2.011 1.00 0.00 C ATOM 0 H VAL A 101 1.041 4.682 4.580 1.00 0.00 H new ATOM 0 HA VAL A 101 1.626 7.049 3.156 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.931 5.496 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.612 6.541 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.383 7.746 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.142 7.543 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.300 4.446 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.244 5.331 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.891 4.117 2.648 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.541 7.378 5.611 1.00 0.00 N ATOM 1516 CA GLU A 102 -1.163 8.352 6.492 1.00 0.00 C ATOM 1517 C GLU A 102 -0.107 9.031 7.364 1.00 0.00 C ATOM 1518 O GLU A 102 -0.323 10.134 7.865 1.00 0.00 O ATOM 1519 CB GLU A 102 -2.249 7.701 7.351 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.650 7.095 8.622 1.00 0.00 C ATOM 1521 CD GLU A 102 -2.680 6.231 9.355 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -3.557 5.681 8.658 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -2.565 6.143 10.597 1.00 0.00 O ATOM 0 H GLU A 102 -0.793 6.408 5.802 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.642 9.114 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.001 8.443 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.756 6.925 6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.779 6.491 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.303 7.891 9.281 1.00 0.00 H new ATOM 1528 N GLU A 103 1.016 8.345 7.520 1.00 0.00 N ATOM 1529 CA GLU A 103 2.108 8.868 8.323 1.00 0.00 C ATOM 1530 C GLU A 103 2.792 10.029 7.597 1.00 0.00 C ATOM 1531 O GLU A 103 3.163 11.023 8.219 1.00 0.00 O ATOM 1532 CB GLU A 103 3.114 7.767 8.666 1.00 0.00 C ATOM 1533 CG GLU A 103 2.782 7.121 10.012 1.00 0.00 C ATOM 1534 CD GLU A 103 3.484 7.853 11.159 1.00 0.00 C ATOM 1535 OE1 GLU A 103 2.915 8.870 11.615 1.00 0.00 O ATOM 1536 OE2 GLU A 103 4.571 7.382 11.553 1.00 0.00 O ATOM 0 H GLU A 103 1.193 7.431 7.104 1.00 0.00 H new ATOM 0 HA GLU A 103 1.696 9.243 9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.109 7.008 7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.120 8.186 8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.704 7.137 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.087 6.075 10.003 1.00 0.00 H new ATOM 1541 N ASN A 104 2.938 9.864 6.291 1.00 0.00 N ATOM 1542 CA ASN A 104 3.570 10.886 5.474 1.00 0.00 C ATOM 1543 C ASN A 104 2.583 12.033 5.247 1.00 0.00 C ATOM 1544 O ASN A 104 2.984 13.192 5.152 1.00 0.00 O ATOM 1545 CB ASN A 104 3.971 10.327 4.107 1.00 0.00 C ATOM 1546 CG ASN A 104 5.378 10.785 3.718 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.581 11.512 2.760 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.336 10.320 4.515 1.00 0.00 N ATOM 0 H ASN A 104 2.630 9.038 5.778 1.00 0.00 H new ATOM 0 HA ASN A 104 4.461 11.234 5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 104 3.933 9.238 4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.256 10.655 3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.310 10.569 4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.097 9.715 5.301 1.00 0.00 H new ATOM 1554 N ASN A 105 1.311 11.669 5.164 1.00 0.00 N ATOM 1555 CA ASN A 105 0.263 12.653 4.949 1.00 0.00 C ATOM 1556 C ASN A 105 0.571 13.906 5.774 1.00 0.00 C ATOM 1557 O ASN A 105 -0.126 14.913 5.660 1.00 0.00 O ATOM 1558 CB ASN A 105 -1.097 12.115 5.393 1.00 0.00 C ATOM 1559 CG ASN A 105 -1.884 11.564 4.204 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -2.794 12.188 3.685 1.00 0.00 O ATOM 1561 ND2 ASN A 105 -1.482 10.361 3.801 1.00 0.00 N ATOM 0 H ASN A 105 0.983 10.706 5.242 1.00 0.00 H new ATOM 0 HA ASN A 105 0.228 12.883 3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.956 11.330 6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.667 12.910 5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.943 9.907 3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.713 9.893 4.280 1.00 0.00 H new