USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 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 15 SER OG : rot -149:sc= -1.08 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -177:sc= -2.03 (180deg=-2.09) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 10 TYR OH : rot -61:sc= 0.268 USER MOD Single : A 13 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 25 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.86) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.092 K(o=-0.092,f=-0.62) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= 0.754 (180deg=-0.245) USER MOD Single : A 35 ASN : amide:sc= -0.0714 X(o=-0.071,f=-0.071) USER MOD Single : A 36 CYS SG : rot 31:sc= -0.136 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -161:sc= -0.0761 (180deg=-0.546) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 91:sc= 1.19 USER MOD Single : A 54 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2.5!) USER MOD Single : A 56 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.0087) USER MOD Single : A 58 HIS : no HE2:sc= -0.207! C(o=-0.21!,f=-4.8!) USER MOD Single : A 66 MET CE :methyl 180:sc= -0.0326 (180deg=-0.0326) USER MOD Single : A 67 ASN : amide:sc= 0.357 K(o=0.36,f=-3.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.0504 (180deg=-0.287) USER MOD Single : A 79 ASN : amide:sc= -3.85! C(o=-3.8!,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -5.847 -12.444 -1.006 1.00 0.00 N ATOM 63 CA MET A 5 -5.223 -11.396 -0.215 1.00 0.00 C ATOM 64 C MET A 5 -5.666 -10.023 -0.718 1.00 0.00 C ATOM 65 O MET A 5 -4.940 -9.353 -1.446 1.00 0.00 O ATOM 66 CB MET A 5 -3.690 -11.527 -0.234 1.00 0.00 C ATOM 67 CG MET A 5 -3.080 -11.617 -1.627 1.00 0.00 C ATOM 68 SD MET A 5 -1.279 -11.706 -1.586 1.00 0.00 S ATOM 69 CE MET A 5 -0.914 -11.851 -3.334 1.00 0.00 C ATOM 0 HA MET A 5 -5.547 -11.504 0.820 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.258 -10.670 0.283 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.407 -12.415 0.331 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.473 -12.497 -2.136 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.385 -10.748 -2.211 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.165 -11.916 -3.476 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.387 -12.749 -3.731 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.297 -10.976 -3.859 1.00 0.00 H new ATOM 79 N PRO A 6 -6.875 -9.595 -0.292 1.00 0.00 N ATOM 80 CA PRO A 6 -7.568 -8.406 -0.822 1.00 0.00 C ATOM 81 C PRO A 6 -6.663 -7.196 -1.050 1.00 0.00 C ATOM 82 O PRO A 6 -6.716 -6.570 -2.112 1.00 0.00 O ATOM 83 CB PRO A 6 -8.597 -8.101 0.262 1.00 0.00 C ATOM 84 CG PRO A 6 -8.926 -9.426 0.849 1.00 0.00 C ATOM 85 CD PRO A 6 -7.673 -10.257 0.760 1.00 0.00 C ATOM 0 HA PRO A 6 -7.984 -8.605 -1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.192 -7.424 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.482 -7.621 -0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.249 -9.322 1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.744 -9.899 0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.140 -10.278 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.898 -11.291 0.498 1.00 0.00 H new ATOM 93 N LYS A 7 -5.854 -6.869 -0.031 1.00 0.00 N ATOM 94 CA LYS A 7 -4.848 -5.799 -0.110 1.00 0.00 C ATOM 95 C LYS A 7 -5.490 -4.410 -0.049 1.00 0.00 C ATOM 96 O LYS A 7 -5.030 -3.540 0.689 1.00 0.00 O ATOM 97 CB LYS A 7 -4.006 -5.940 -1.383 1.00 0.00 C ATOM 98 CG LYS A 7 -2.845 -4.964 -1.458 1.00 0.00 C ATOM 99 CD LYS A 7 -2.135 -5.050 -2.797 1.00 0.00 C ATOM 100 CE LYS A 7 -0.943 -4.115 -2.848 1.00 0.00 C ATOM 101 NZ LYS A 7 -0.335 -4.060 -4.201 1.00 0.00 N ATOM 0 H LYS A 7 -5.879 -7.340 0.873 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.196 -5.902 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.618 -6.957 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.649 -5.794 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.210 -3.949 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.138 -5.175 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.805 -6.074 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.831 -4.799 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.255 -3.114 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.194 -4.443 -2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.476 -3.409 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.013 -5.010 -4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.041 -3.722 -4.885 1.00 0.00 H new ATOM 115 N THR A 8 -6.545 -4.219 -0.825 1.00 0.00 N ATOM 116 CA THR A 8 -7.263 -2.956 -0.864 1.00 0.00 C ATOM 117 C THR A 8 -8.362 -2.933 0.195 1.00 0.00 C ATOM 118 O THR A 8 -9.036 -3.940 0.428 1.00 0.00 O ATOM 119 CB THR A 8 -7.884 -2.731 -2.259 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.872 -2.868 -3.265 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.520 -1.351 -2.367 1.00 0.00 C ATOM 0 H THR A 8 -6.927 -4.934 -1.444 1.00 0.00 H new ATOM 0 HA THR A 8 -6.553 -2.155 -0.657 1.00 0.00 H new ATOM 0 HB THR A 8 -8.662 -3.480 -2.407 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.269 -2.726 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.948 -1.224 -3.361 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.306 -1.253 -1.618 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.761 -0.587 -2.199 1.00 0.00 H new ATOM 129 N LEU A 9 -8.526 -1.795 0.849 1.00 0.00 N ATOM 130 CA LEU A 9 -9.568 -1.641 1.852 1.00 0.00 C ATOM 131 C LEU A 9 -10.754 -0.893 1.261 1.00 0.00 C ATOM 132 O LEU A 9 -10.587 0.128 0.588 1.00 0.00 O ATOM 133 CB LEU A 9 -9.051 -0.900 3.096 1.00 0.00 C ATOM 134 CG LEU A 9 -7.938 -1.602 3.886 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.286 -3.063 4.128 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.597 -1.475 3.179 1.00 0.00 C ATOM 0 H LEU A 9 -7.952 -0.965 0.704 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.882 -2.638 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.686 0.079 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.892 -0.728 3.767 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.853 -1.107 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.483 -3.540 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.214 -3.127 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.411 -3.570 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.829 -1.982 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.662 -1.931 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.338 -0.421 3.076 1.00 0.00 H new ATOM 148 N TYR A 10 -11.944 -1.414 1.504 1.00 0.00 N ATOM 149 CA TYR A 10 -13.164 -0.791 1.019 1.00 0.00 C ATOM 150 C TYR A 10 -13.768 0.078 2.110 1.00 0.00 C ATOM 151 O TYR A 10 -14.197 -0.430 3.148 1.00 0.00 O ATOM 152 CB TYR A 10 -14.170 -1.862 0.583 1.00 0.00 C ATOM 153 CG TYR A 10 -15.478 -1.319 0.040 1.00 0.00 C ATOM 154 CD1 TYR A 10 -15.640 -1.088 -1.318 1.00 0.00 C ATOM 155 CD2 TYR A 10 -16.551 -1.049 0.884 1.00 0.00 C ATOM 156 CE1 TYR A 10 -16.830 -0.605 -1.823 1.00 0.00 C ATOM 157 CE2 TYR A 10 -17.745 -0.563 0.386 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.879 -0.343 -0.968 1.00 0.00 C ATOM 159 OH TYR A 10 -19.069 0.138 -1.470 1.00 0.00 O ATOM 0 H TYR A 10 -12.092 -2.271 2.037 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.924 -0.167 0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.707 -2.487 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.386 -2.507 1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.821 -1.290 -1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.449 -1.222 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.939 -0.433 -2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.568 -0.357 1.054 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.914 1.001 -1.908 1.00 0.00 H new ATOM 169 N VAL A 11 -13.787 1.381 1.885 1.00 0.00 N ATOM 170 CA VAL A 11 -14.403 2.292 2.831 1.00 0.00 C ATOM 171 C VAL A 11 -15.725 2.798 2.286 1.00 0.00 C ATOM 172 O VAL A 11 -15.780 3.387 1.206 1.00 0.00 O ATOM 173 CB VAL A 11 -13.491 3.487 3.178 1.00 0.00 C ATOM 174 CG1 VAL A 11 -14.192 4.427 4.153 1.00 0.00 C ATOM 175 CG2 VAL A 11 -12.176 2.998 3.764 1.00 0.00 C ATOM 0 H VAL A 11 -13.385 1.828 1.061 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.572 1.731 3.750 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.278 4.037 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.535 5.264 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.110 4.802 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.433 3.888 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.544 3.853 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.372 2.426 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.668 2.363 3.038 1.00 0.00 H new ATOM 185 N GLY A 12 -16.789 2.546 3.027 1.00 0.00 N ATOM 186 CA GLY A 12 -18.098 2.989 2.616 1.00 0.00 C ATOM 187 C GLY A 12 -18.611 4.116 3.484 1.00 0.00 C ATOM 188 O GLY A 12 -18.033 4.395 4.539 1.00 0.00 O ATOM 0 H GLY A 12 -16.767 2.039 3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.060 3.319 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.795 2.152 2.659 1.00 0.00 H new ATOM 192 N ASN A 13 -19.685 4.761 3.030 1.00 0.00 N ATOM 193 CA ASN A 13 -20.317 5.861 3.760 1.00 0.00 C ATOM 194 C ASN A 13 -19.452 7.110 3.725 1.00 0.00 C ATOM 195 O ASN A 13 -19.033 7.613 4.765 1.00 0.00 O ATOM 196 CB ASN A 13 -20.623 5.494 5.222 1.00 0.00 C ATOM 197 CG ASN A 13 -21.768 4.513 5.373 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.673 4.455 4.539 1.00 0.00 O ATOM 199 ND2 ASN A 13 -21.745 3.752 6.458 1.00 0.00 N ATOM 0 H ASN A 13 -20.142 4.536 2.146 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.262 6.059 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.728 5.068 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.859 6.403 5.775 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.497 3.085 6.629 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.975 3.834 7.122 1.00 0.00 H new ATOM 206 N LEU A 14 -19.175 7.608 2.533 1.00 0.00 N ATOM 207 CA LEU A 14 -18.488 8.879 2.406 1.00 0.00 C ATOM 208 C LEU A 14 -19.482 10.018 2.489 1.00 0.00 C ATOM 209 O LEU A 14 -20.601 9.932 1.983 1.00 0.00 O ATOM 210 CB LEU A 14 -17.701 8.977 1.104 1.00 0.00 C ATOM 211 CG LEU A 14 -16.363 8.238 1.087 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.654 8.456 -0.240 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.485 8.704 2.239 1.00 0.00 C ATOM 0 H LEU A 14 -19.412 7.157 1.649 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.777 8.948 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.321 8.590 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.518 10.030 0.889 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.555 7.172 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.703 7.923 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.277 8.080 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.473 9.521 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.536 8.168 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.300 9.774 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.989 8.504 3.185 1.00 0.00 H new ATOM 225 N SER A 15 -19.057 11.086 3.125 1.00 0.00 N ATOM 226 CA SER A 15 -19.893 12.252 3.309 1.00 0.00 C ATOM 227 C SER A 15 -19.234 13.445 2.626 1.00 0.00 C ATOM 228 O SER A 15 -18.035 13.406 2.355 1.00 0.00 O ATOM 229 CB SER A 15 -20.101 12.516 4.806 1.00 0.00 C ATOM 230 OG SER A 15 -20.520 11.341 5.473 1.00 0.00 O ATOM 0 H SER A 15 -18.124 11.172 3.529 1.00 0.00 H new ATOM 0 HA SER A 15 -20.872 12.086 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 15 -19.173 12.878 5.248 1.00 0.00 H new ATOM 0 HB3 SER A 15 -20.846 13.301 4.941 1.00 0.00 H new ATOM 0 HG SER A 15 -21.095 11.582 6.229 1.00 0.00 H new ATOM 236 N ARG A 16 -20.000 14.491 2.349 1.00 0.00 N ATOM 237 CA ARG A 16 -19.462 15.674 1.672 1.00 0.00 C ATOM 238 C ARG A 16 -18.329 16.280 2.494 1.00 0.00 C ATOM 239 O ARG A 16 -17.373 16.841 1.959 1.00 0.00 O ATOM 240 CB ARG A 16 -20.554 16.734 1.448 1.00 0.00 C ATOM 241 CG ARG A 16 -21.683 16.312 0.510 1.00 0.00 C ATOM 242 CD ARG A 16 -22.580 15.247 1.124 1.00 0.00 C ATOM 243 NE ARG A 16 -23.071 15.640 2.447 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.661 14.814 3.309 1.00 0.00 C ATOM 245 NH1 ARG A 16 -23.823 13.531 3.006 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.071 15.275 4.484 1.00 0.00 N ATOM 0 H ARG A 16 -20.992 14.550 2.579 1.00 0.00 H new ATOM 0 HA ARG A 16 -19.082 15.357 0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.985 16.999 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.088 17.635 1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.283 17.185 0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.257 15.933 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -23.427 15.061 0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.028 14.311 1.205 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.953 16.614 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.495 13.173 2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.276 12.903 3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -23.934 16.257 4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.524 14.647 5.148 1.00 0.00 H new ATOM 260 N ASP A 17 -18.436 16.120 3.802 1.00 0.00 N ATOM 261 CA ASP A 17 -17.495 16.700 4.749 1.00 0.00 C ATOM 262 C ASP A 17 -16.235 15.844 4.887 1.00 0.00 C ATOM 263 O ASP A 17 -15.461 16.012 5.830 1.00 0.00 O ATOM 264 CB ASP A 17 -18.175 16.841 6.112 1.00 0.00 C ATOM 265 CG ASP A 17 -19.558 17.454 6.003 1.00 0.00 C ATOM 266 OD1 ASP A 17 -19.702 18.668 6.262 1.00 0.00 O ATOM 267 OD2 ASP A 17 -20.505 16.725 5.636 1.00 0.00 O ATOM 0 H ASP A 17 -19.182 15.581 4.241 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.193 17.678 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.250 15.860 6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.556 17.459 6.762 1.00 0.00 H new ATOM 272 N VAL A 18 -16.036 14.911 3.964 1.00 0.00 N ATOM 273 CA VAL A 18 -14.856 14.058 3.999 1.00 0.00 C ATOM 274 C VAL A 18 -13.805 14.533 3.003 1.00 0.00 C ATOM 275 O VAL A 18 -13.985 14.419 1.789 1.00 0.00 O ATOM 276 CB VAL A 18 -15.192 12.574 3.717 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.927 11.732 3.733 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.184 12.052 4.740 1.00 0.00 C ATOM 0 H VAL A 18 -16.672 14.727 3.188 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.458 14.131 5.011 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.644 12.504 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.180 10.691 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.241 12.092 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.451 11.808 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.410 11.007 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.755 12.135 5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.101 12.639 4.690 1.00 0.00 H new ATOM 288 N THR A 19 -12.722 15.087 3.525 1.00 0.00 N ATOM 289 CA THR A 19 -11.587 15.461 2.702 1.00 0.00 C ATOM 290 C THR A 19 -10.679 14.254 2.478 1.00 0.00 C ATOM 291 O THR A 19 -10.512 13.410 3.368 1.00 0.00 O ATOM 292 CB THR A 19 -10.776 16.610 3.348 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.582 16.862 2.594 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.410 16.286 4.790 1.00 0.00 C ATOM 0 H THR A 19 -12.607 15.287 4.518 1.00 0.00 H new ATOM 0 HA THR A 19 -11.972 15.811 1.744 1.00 0.00 H new ATOM 0 HB THR A 19 -11.403 17.501 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.079 17.592 3.012 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.841 17.113 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.320 16.135 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.807 15.378 4.817 1.00 0.00 H new ATOM 302 N GLU A 20 -10.100 14.178 1.282 1.00 0.00 N ATOM 303 CA GLU A 20 -9.184 13.101 0.929 1.00 0.00 C ATOM 304 C GLU A 20 -7.956 13.128 1.833 1.00 0.00 C ATOM 305 O GLU A 20 -7.397 12.085 2.169 1.00 0.00 O ATOM 306 CB GLU A 20 -8.756 13.230 -0.538 1.00 0.00 C ATOM 307 CG GLU A 20 -7.828 12.120 -1.006 1.00 0.00 C ATOM 308 CD GLU A 20 -7.397 12.288 -2.448 1.00 0.00 C ATOM 309 OE1 GLU A 20 -8.138 11.850 -3.349 1.00 0.00 O ATOM 310 OE2 GLU A 20 -6.314 12.859 -2.689 1.00 0.00 O ATOM 0 H GLU A 20 -10.252 14.857 0.536 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.699 12.150 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.646 13.236 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.259 14.190 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.945 12.097 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.330 11.159 -0.891 1.00 0.00 H new ATOM 317 N ALA A 21 -7.566 14.330 2.241 1.00 0.00 N ATOM 318 CA ALA A 21 -6.375 14.520 3.059 1.00 0.00 C ATOM 319 C ALA A 21 -6.485 13.778 4.388 1.00 0.00 C ATOM 320 O ALA A 21 -5.540 13.118 4.820 1.00 0.00 O ATOM 321 CB ALA A 21 -6.142 16.003 3.305 1.00 0.00 C ATOM 0 H ALA A 21 -8.061 15.193 2.017 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.526 14.107 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.250 16.134 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.006 16.513 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.003 16.426 3.823 1.00 0.00 H new ATOM 327 N LEU A 22 -7.652 13.870 5.013 1.00 0.00 N ATOM 328 CA LEU A 22 -7.863 13.284 6.330 1.00 0.00 C ATOM 329 C LEU A 22 -7.840 11.763 6.251 1.00 0.00 C ATOM 330 O LEU A 22 -7.113 11.105 6.992 1.00 0.00 O ATOM 331 CB LEU A 22 -9.195 13.762 6.915 1.00 0.00 C ATOM 332 CG LEU A 22 -9.498 13.281 8.336 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.462 13.812 9.318 1.00 0.00 C ATOM 334 CD2 LEU A 22 -10.898 13.707 8.754 1.00 0.00 C ATOM 0 H LEU A 22 -8.468 14.346 4.628 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.054 13.608 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.205 14.852 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.000 13.432 6.258 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.450 12.192 8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.697 13.458 10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.472 13.457 9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.474 14.902 9.306 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.098 13.357 9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.972 14.794 8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.629 13.275 8.070 1.00 0.00 H new ATOM 346 N ILE A 23 -8.625 11.214 5.334 1.00 0.00 N ATOM 347 CA ILE A 23 -8.714 9.770 5.165 1.00 0.00 C ATOM 348 C ILE A 23 -7.342 9.162 4.881 1.00 0.00 C ATOM 349 O ILE A 23 -6.937 8.193 5.522 1.00 0.00 O ATOM 350 CB ILE A 23 -9.687 9.411 4.025 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.100 9.882 4.370 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.675 7.914 3.741 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.650 9.287 5.650 1.00 0.00 C ATOM 0 H ILE A 23 -9.211 11.749 4.694 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.092 9.354 6.099 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.356 9.923 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.099 10.969 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.768 9.629 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.371 7.692 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.670 7.607 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.975 7.371 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.655 9.669 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.685 8.201 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.006 9.562 6.485 1.00 0.00 H new ATOM 365 N LEU A 24 -6.617 9.751 3.938 1.00 0.00 N ATOM 366 CA LEU A 24 -5.299 9.248 3.566 1.00 0.00 C ATOM 367 C LEU A 24 -4.300 9.399 4.707 1.00 0.00 C ATOM 368 O LEU A 24 -3.361 8.616 4.819 1.00 0.00 O ATOM 369 CB LEU A 24 -4.779 9.951 2.312 1.00 0.00 C ATOM 370 CG LEU A 24 -5.170 9.291 0.987 1.00 0.00 C ATOM 371 CD1 LEU A 24 -4.581 7.892 0.899 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.684 9.241 0.831 1.00 0.00 C ATOM 0 H LEU A 24 -6.918 10.575 3.418 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.408 8.185 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.146 10.977 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.692 10.002 2.368 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.765 9.893 0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.868 7.435 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.494 7.950 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.958 7.286 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.937 8.768 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.115 8.665 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.085 10.254 0.849 1.00 0.00 H new ATOM 384 N GLN A 25 -4.504 10.401 5.553 1.00 0.00 N ATOM 385 CA GLN A 25 -3.648 10.594 6.718 1.00 0.00 C ATOM 386 C GLN A 25 -3.837 9.440 7.696 1.00 0.00 C ATOM 387 O GLN A 25 -2.868 8.871 8.202 1.00 0.00 O ATOM 388 CB GLN A 25 -3.970 11.914 7.420 1.00 0.00 C ATOM 389 CG GLN A 25 -2.986 12.254 8.525 1.00 0.00 C ATOM 390 CD GLN A 25 -3.434 13.419 9.382 1.00 0.00 C ATOM 391 OE1 GLN A 25 -4.628 13.630 9.600 1.00 0.00 O ATOM 392 NE2 GLN A 25 -2.478 14.188 9.870 1.00 0.00 N ATOM 0 H GLN A 25 -5.250 11.089 5.456 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.613 10.623 6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.974 12.719 6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.975 11.860 7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.844 11.378 9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.018 12.488 8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.501 13.979 9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.717 14.991 10.451 1.00 0.00 H new ATOM 401 N LEU A 26 -5.099 9.101 7.938 1.00 0.00 N ATOM 402 CA LEU A 26 -5.461 8.004 8.833 1.00 0.00 C ATOM 403 C LEU A 26 -4.778 6.704 8.424 1.00 0.00 C ATOM 404 O LEU A 26 -4.292 5.952 9.269 1.00 0.00 O ATOM 405 CB LEU A 26 -6.982 7.807 8.840 1.00 0.00 C ATOM 406 CG LEU A 26 -7.761 8.588 9.907 1.00 0.00 C ATOM 407 CD1 LEU A 26 -7.459 8.041 11.289 1.00 0.00 C ATOM 408 CD2 LEU A 26 -7.441 10.073 9.851 1.00 0.00 C ATOM 0 H LEU A 26 -5.899 9.577 7.521 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.123 8.268 9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.368 8.087 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.189 6.745 8.973 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.824 8.464 9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.019 8.606 12.034 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.749 6.991 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.392 8.132 11.491 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.009 10.597 10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.375 10.222 10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.709 10.466 8.870 1.00 0.00 H new ATOM 420 N PHE A 27 -4.736 6.447 7.127 1.00 0.00 N ATOM 421 CA PHE A 27 -4.131 5.226 6.615 1.00 0.00 C ATOM 422 C PHE A 27 -2.610 5.345 6.538 1.00 0.00 C ATOM 423 O PHE A 27 -1.895 4.383 6.821 1.00 0.00 O ATOM 424 CB PHE A 27 -4.717 4.871 5.247 1.00 0.00 C ATOM 425 CG PHE A 27 -6.154 4.429 5.313 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.494 3.230 5.916 1.00 0.00 C ATOM 427 CD2 PHE A 27 -7.160 5.208 4.770 1.00 0.00 C ATOM 428 CE1 PHE A 27 -7.810 2.815 5.975 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.479 4.799 4.827 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.804 3.601 5.430 1.00 0.00 C ATOM 0 H PHE A 27 -5.113 7.066 6.409 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.363 4.421 7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.640 5.738 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.120 4.077 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.720 2.611 6.346 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.912 6.146 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.060 1.877 6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.255 5.417 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.834 3.280 5.475 1.00 0.00 H new ATOM 440 N SER A 28 -2.118 6.529 6.180 1.00 0.00 N ATOM 441 CA SER A 28 -0.680 6.768 6.083 1.00 0.00 C ATOM 442 C SER A 28 -0.012 6.627 7.449 1.00 0.00 C ATOM 443 O SER A 28 1.170 6.296 7.542 1.00 0.00 O ATOM 444 CB SER A 28 -0.412 8.162 5.510 1.00 0.00 C ATOM 445 OG SER A 28 0.979 8.394 5.353 1.00 0.00 O ATOM 0 H SER A 28 -2.695 7.339 5.952 1.00 0.00 H new ATOM 0 HA SER A 28 -0.255 6.020 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.911 8.264 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.837 8.917 6.171 1.00 0.00 H new ATOM 0 HG SER A 28 1.122 9.291 4.984 1.00 0.00 H new ATOM 451 N GLN A 29 -0.775 6.884 8.505 1.00 0.00 N ATOM 452 CA GLN A 29 -0.274 6.736 9.864 1.00 0.00 C ATOM 453 C GLN A 29 -0.040 5.260 10.187 1.00 0.00 C ATOM 454 O GLN A 29 0.748 4.921 11.071 1.00 0.00 O ATOM 455 CB GLN A 29 -1.266 7.354 10.857 1.00 0.00 C ATOM 456 CG GLN A 29 -0.784 7.347 12.300 1.00 0.00 C ATOM 457 CD GLN A 29 0.496 8.138 12.500 1.00 0.00 C ATOM 458 OE1 GLN A 29 0.756 9.117 11.798 1.00 0.00 O ATOM 459 NE2 GLN A 29 1.305 7.719 13.458 1.00 0.00 N ATOM 0 H GLN A 29 -1.744 7.196 8.445 1.00 0.00 H new ATOM 0 HA GLN A 29 0.678 7.260 9.949 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.470 8.382 10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.209 6.811 10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.564 7.760 12.940 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.622 6.317 12.619 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.054 6.904 14.018 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.180 8.211 13.638 1.00 0.00 H new ATOM 468 N ILE A 30 -0.712 4.387 9.449 1.00 0.00 N ATOM 469 CA ILE A 30 -0.597 2.953 9.669 1.00 0.00 C ATOM 470 C ILE A 30 0.421 2.335 8.715 1.00 0.00 C ATOM 471 O ILE A 30 1.316 1.606 9.140 1.00 0.00 O ATOM 472 CB ILE A 30 -1.953 2.238 9.488 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.022 2.864 10.386 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.813 0.753 9.789 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.708 2.779 11.868 1.00 0.00 C ATOM 0 H ILE A 30 -1.343 4.648 8.692 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.263 2.818 10.698 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.266 2.357 8.451 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.146 3.911 10.111 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.975 2.370 10.198 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.777 0.263 9.657 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.085 0.311 9.109 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.476 0.620 10.817 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.513 3.244 12.438 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.614 1.733 12.161 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.772 3.299 12.072 1.00 0.00 H new ATOM 487 N GLY A 31 0.281 2.626 7.428 1.00 0.00 N ATOM 488 CA GLY A 31 1.175 2.057 6.442 1.00 0.00 C ATOM 489 C GLY A 31 1.298 2.920 5.201 1.00 0.00 C ATOM 490 O GLY A 31 0.495 3.830 4.994 1.00 0.00 O ATOM 0 H GLY A 31 -0.436 3.246 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.161 1.922 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.815 1.068 6.158 1.00 0.00 H new ATOM 494 N PRO A 32 2.310 2.656 4.361 1.00 0.00 N ATOM 495 CA PRO A 32 2.512 3.377 3.103 1.00 0.00 C ATOM 496 C PRO A 32 1.392 3.110 2.106 1.00 0.00 C ATOM 497 O PRO A 32 1.167 1.966 1.692 1.00 0.00 O ATOM 498 CB PRO A 32 3.840 2.828 2.568 1.00 0.00 C ATOM 499 CG PRO A 32 4.475 2.133 3.722 1.00 0.00 C ATOM 500 CD PRO A 32 3.346 1.641 4.576 1.00 0.00 C ATOM 0 HA PRO A 32 2.520 4.456 3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.675 2.141 1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.475 3.631 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.099 1.305 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.120 2.812 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.011 0.650 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.633 1.572 5.625 1.00 0.00 H new ATOM 508 N CYS A 33 0.695 4.167 1.728 1.00 0.00 N ATOM 509 CA CYS A 33 -0.414 4.066 0.798 1.00 0.00 C ATOM 510 C CYS A 33 0.100 4.011 -0.637 1.00 0.00 C ATOM 511 O CYS A 33 1.096 4.646 -0.983 1.00 0.00 O ATOM 512 CB CYS A 33 -1.353 5.260 0.986 1.00 0.00 C ATOM 513 SG CYS A 33 -1.923 5.476 2.689 1.00 0.00 S ATOM 0 H CYS A 33 0.881 5.115 2.056 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.965 3.147 0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.841 6.167 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.219 5.136 0.335 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.709 6.509 2.756 1.00 0.00 H new ATOM 519 N LYS A 34 -0.572 3.214 -1.454 1.00 0.00 N ATOM 520 CA LYS A 34 -0.211 3.048 -2.854 1.00 0.00 C ATOM 521 C LYS A 34 -0.967 4.044 -3.721 1.00 0.00 C ATOM 522 O LYS A 34 -0.375 4.773 -4.514 1.00 0.00 O ATOM 523 CB LYS A 34 -0.525 1.620 -3.314 1.00 0.00 C ATOM 524 CG LYS A 34 -0.463 1.434 -4.820 1.00 0.00 C ATOM 525 CD LYS A 34 -0.951 0.058 -5.232 1.00 0.00 C ATOM 526 CE LYS A 34 -1.154 -0.034 -6.738 1.00 0.00 C ATOM 527 NZ LYS A 34 -2.125 0.981 -7.234 1.00 0.00 N ATOM 0 H LYS A 34 -1.382 2.665 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 34 0.858 3.232 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.179 0.934 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.520 1.346 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.070 2.197 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.562 1.575 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.230 -0.695 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.889 -0.164 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.197 0.103 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.509 -1.032 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.617 0.611 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.820 1.190 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.617 1.852 -7.487 1.00 0.00 H new ATOM 541 N ASN A 35 -2.281 4.055 -3.566 1.00 0.00 N ATOM 542 CA ASN A 35 -3.143 4.928 -4.347 1.00 0.00 C ATOM 543 C ASN A 35 -4.518 4.979 -3.706 1.00 0.00 C ATOM 544 O ASN A 35 -4.936 4.026 -3.042 1.00 0.00 O ATOM 545 CB ASN A 35 -3.250 4.421 -5.791 1.00 0.00 C ATOM 546 CG ASN A 35 -4.006 5.372 -6.700 1.00 0.00 C ATOM 547 OD1 ASN A 35 -3.426 6.291 -7.272 1.00 0.00 O ATOM 548 ND2 ASN A 35 -5.303 5.151 -6.854 1.00 0.00 N ATOM 0 H ASN A 35 -2.778 3.463 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.715 5.930 -4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.248 4.265 -6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.748 3.452 -5.794 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.854 5.754 -7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.750 4.377 -6.362 1.00 0.00 H new ATOM 555 N CYS A 36 -5.206 6.089 -3.890 1.00 0.00 N ATOM 556 CA CYS A 36 -6.530 6.264 -3.321 1.00 0.00 C ATOM 557 C CYS A 36 -7.529 6.677 -4.391 1.00 0.00 C ATOM 558 O CYS A 36 -7.323 7.660 -5.105 1.00 0.00 O ATOM 559 CB CYS A 36 -6.491 7.309 -2.207 1.00 0.00 C ATOM 560 SG CYS A 36 -5.749 8.886 -2.692 1.00 0.00 S ATOM 0 H CYS A 36 -4.870 6.886 -4.431 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.851 5.310 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.508 7.491 -1.860 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.934 6.903 -1.363 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.970 9.099 -3.955 1.00 0.00 H new ATOM 566 N LYS A 37 -8.599 5.916 -4.512 1.00 0.00 N ATOM 567 CA LYS A 37 -9.667 6.266 -5.427 1.00 0.00 C ATOM 568 C LYS A 37 -10.865 6.756 -4.640 1.00 0.00 C ATOM 569 O LYS A 37 -11.315 6.109 -3.695 1.00 0.00 O ATOM 570 CB LYS A 37 -10.081 5.085 -6.292 1.00 0.00 C ATOM 571 CG LYS A 37 -11.042 5.457 -7.414 1.00 0.00 C ATOM 572 CD LYS A 37 -10.423 6.448 -8.391 1.00 0.00 C ATOM 573 CE LYS A 37 -11.466 7.007 -9.346 1.00 0.00 C ATOM 574 NZ LYS A 37 -10.875 7.949 -10.332 1.00 0.00 N ATOM 0 H LYS A 37 -8.752 5.053 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.298 7.052 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.189 4.632 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.548 4.329 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.339 4.556 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.948 5.887 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.958 7.264 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.633 5.957 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.949 6.186 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.241 7.519 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.622 8.305 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.436 8.747 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.153 7.455 -10.895 1.00 0.00 H new ATOM 588 N MET A 38 -11.377 7.886 -5.054 1.00 0.00 N ATOM 589 CA MET A 38 -12.480 8.539 -4.366 1.00 0.00 C ATOM 590 C MET A 38 -13.739 8.461 -5.211 1.00 0.00 C ATOM 591 O MET A 38 -13.926 9.244 -6.141 1.00 0.00 O ATOM 592 CB MET A 38 -12.139 10.004 -4.067 1.00 0.00 C ATOM 593 CG MET A 38 -10.936 10.182 -3.150 1.00 0.00 C ATOM 594 SD MET A 38 -11.219 9.542 -1.486 1.00 0.00 S ATOM 595 CE MET A 38 -12.497 10.658 -0.906 1.00 0.00 C ATOM 0 H MET A 38 -11.046 8.387 -5.879 1.00 0.00 H new ATOM 0 HA MET A 38 -12.651 8.024 -3.421 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.947 10.521 -5.007 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.005 10.483 -3.611 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.075 9.676 -3.587 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.686 11.241 -3.089 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.543 10.624 0.182 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.267 11.674 -1.228 1.00 0.00 H new ATOM 0 HE3 MET A 38 -13.459 10.356 -1.320 1.00 0.00 H new ATOM 605 N ILE A 39 -14.597 7.512 -4.889 1.00 0.00 N ATOM 606 CA ILE A 39 -15.824 7.322 -5.637 1.00 0.00 C ATOM 607 C ILE A 39 -16.897 8.245 -5.081 1.00 0.00 C ATOM 608 O ILE A 39 -17.700 7.858 -4.229 1.00 0.00 O ATOM 609 CB ILE A 39 -16.330 5.853 -5.593 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.254 4.867 -6.080 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.589 5.701 -6.439 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.147 4.598 -5.083 1.00 0.00 C ATOM 0 H ILE A 39 -14.467 6.861 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.612 7.559 -6.680 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.560 5.617 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.734 3.922 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.812 5.256 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.932 4.667 -6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.369 6.357 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.368 5.970 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.435 3.893 -5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.636 5.531 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.572 4.176 -4.172 1.00 0.00 H new ATOM 710 N PRO A 47 -21.642 7.039 -1.646 1.00 0.00 N ATOM 711 CA PRO A 47 -20.238 7.163 -2.071 1.00 0.00 C ATOM 712 C PRO A 47 -19.278 6.333 -1.220 1.00 0.00 C ATOM 713 O PRO A 47 -19.492 6.147 -0.018 1.00 0.00 O ATOM 714 CB PRO A 47 -19.941 8.656 -1.907 1.00 0.00 C ATOM 715 CG PRO A 47 -21.274 9.319 -1.962 1.00 0.00 C ATOM 716 CD PRO A 47 -22.234 8.352 -1.333 1.00 0.00 C ATOM 0 HA PRO A 47 -20.098 6.792 -3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.438 8.857 -0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.286 9.018 -2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -21.263 10.266 -1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.559 9.541 -2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -22.318 8.510 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -23.236 8.451 -1.749 1.00 0.00 H new ATOM 724 N TYR A 48 -18.212 5.850 -1.852 1.00 0.00 N ATOM 725 CA TYR A 48 -17.244 4.993 -1.183 1.00 0.00 C ATOM 726 C TYR A 48 -15.830 5.268 -1.696 1.00 0.00 C ATOM 727 O TYR A 48 -15.634 6.116 -2.564 1.00 0.00 O ATOM 728 CB TYR A 48 -17.618 3.513 -1.360 1.00 0.00 C ATOM 729 CG TYR A 48 -17.878 3.081 -2.790 1.00 0.00 C ATOM 730 CD1 TYR A 48 -19.123 3.270 -3.379 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.888 2.462 -3.542 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.372 2.859 -4.675 1.00 0.00 C ATOM 733 CE2 TYR A 48 -17.128 2.052 -4.840 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.371 2.252 -5.401 1.00 0.00 C ATOM 735 OH TYR A 48 -18.614 1.838 -6.690 1.00 0.00 O ATOM 0 H TYR A 48 -17.998 6.040 -2.831 1.00 0.00 H new ATOM 0 HA TYR A 48 -17.263 5.221 -0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.814 2.900 -0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.509 3.306 -0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.910 3.747 -2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.914 2.298 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.346 3.013 -5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.345 1.577 -5.412 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.804 1.431 -7.061 1.00 0.00 H new ATOM 745 N CYS A 49 -14.855 4.550 -1.161 1.00 0.00 N ATOM 746 CA CYS A 49 -13.452 4.830 -1.442 1.00 0.00 C ATOM 747 C CYS A 49 -12.632 3.540 -1.487 1.00 0.00 C ATOM 748 O CYS A 49 -12.947 2.568 -0.794 1.00 0.00 O ATOM 749 CB CYS A 49 -12.896 5.772 -0.367 1.00 0.00 C ATOM 750 SG CYS A 49 -11.171 6.266 -0.601 1.00 0.00 S ATOM 0 H CYS A 49 -15.008 3.766 -0.527 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.380 5.307 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.514 6.669 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.991 5.287 0.604 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.124 7.363 -1.296 1.00 0.00 H new ATOM 756 N PHE A 50 -11.589 3.537 -2.311 1.00 0.00 N ATOM 757 CA PHE A 50 -10.671 2.408 -2.393 1.00 0.00 C ATOM 758 C PHE A 50 -9.258 2.854 -2.046 1.00 0.00 C ATOM 759 O PHE A 50 -8.657 3.651 -2.771 1.00 0.00 O ATOM 760 CB PHE A 50 -10.669 1.794 -3.795 1.00 0.00 C ATOM 761 CG PHE A 50 -11.917 1.038 -4.140 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.235 -0.137 -3.480 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.762 1.492 -5.137 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.376 -0.843 -3.805 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.906 0.792 -5.466 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.212 -0.378 -4.801 1.00 0.00 C ATOM 0 H PHE A 50 -11.358 4.310 -2.935 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.009 1.656 -1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.526 2.589 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.815 1.122 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.583 -0.505 -2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.524 2.404 -5.664 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.614 -1.757 -3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.560 1.160 -6.243 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.104 -0.929 -5.059 1.00 0.00 H new ATOM 776 N VAL A 51 -8.730 2.342 -0.944 1.00 0.00 N ATOM 777 CA VAL A 51 -7.376 2.681 -0.525 1.00 0.00 C ATOM 778 C VAL A 51 -6.462 1.459 -0.581 1.00 0.00 C ATOM 779 O VAL A 51 -6.784 0.401 -0.038 1.00 0.00 O ATOM 780 CB VAL A 51 -7.346 3.300 0.895 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.988 4.678 0.888 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.045 2.401 1.906 1.00 0.00 C ATOM 0 H VAL A 51 -9.215 1.693 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.008 3.430 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.302 3.397 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.958 5.098 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.442 5.330 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.024 4.595 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.006 2.864 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.085 2.262 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.545 1.433 1.940 1.00 0.00 H new ATOM 792 N GLU A 52 -5.331 1.605 -1.260 1.00 0.00 N ATOM 793 CA GLU A 52 -4.373 0.517 -1.398 1.00 0.00 C ATOM 794 C GLU A 52 -3.148 0.758 -0.525 1.00 0.00 C ATOM 795 O GLU A 52 -2.663 1.884 -0.424 1.00 0.00 O ATOM 796 CB GLU A 52 -3.929 0.381 -2.855 1.00 0.00 C ATOM 797 CG GLU A 52 -5.059 0.097 -3.826 1.00 0.00 C ATOM 798 CD GLU A 52 -4.571 0.013 -5.256 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.536 1.058 -5.940 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.200 -1.091 -5.702 1.00 0.00 O ATOM 0 H GLU A 52 -5.055 2.470 -1.725 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.864 -0.402 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.428 1.300 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.194 -0.421 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.544 -0.840 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.812 0.881 -3.745 1.00 0.00 H new ATOM 807 N PHE A 53 -2.656 -0.300 0.098 1.00 0.00 N ATOM 808 CA PHE A 53 -1.416 -0.236 0.862 1.00 0.00 C ATOM 809 C PHE A 53 -0.319 -0.989 0.131 1.00 0.00 C ATOM 810 O PHE A 53 -0.592 -1.886 -0.662 1.00 0.00 O ATOM 811 CB PHE A 53 -1.594 -0.842 2.257 1.00 0.00 C ATOM 812 CG PHE A 53 -2.277 0.063 3.237 1.00 0.00 C ATOM 813 CD1 PHE A 53 -1.560 0.639 4.271 1.00 0.00 C ATOM 814 CD2 PHE A 53 -3.629 0.334 3.131 1.00 0.00 C ATOM 815 CE1 PHE A 53 -2.179 1.468 5.181 1.00 0.00 C ATOM 816 CE2 PHE A 53 -4.253 1.163 4.039 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.527 1.731 5.064 1.00 0.00 C ATOM 0 H PHE A 53 -3.098 -1.219 0.091 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.142 0.814 0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.168 -1.764 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.614 -1.113 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.503 0.436 4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.202 -0.108 2.329 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.609 1.911 5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.310 1.367 3.947 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.014 2.382 5.775 1.00 0.00 H new ATOM 827 N HIS A 54 0.924 -0.618 0.405 1.00 0.00 N ATOM 828 CA HIS A 54 2.068 -1.313 -0.175 1.00 0.00 C ATOM 829 C HIS A 54 2.422 -2.537 0.658 1.00 0.00 C ATOM 830 O HIS A 54 3.277 -3.336 0.279 1.00 0.00 O ATOM 831 CB HIS A 54 3.283 -0.388 -0.289 1.00 0.00 C ATOM 832 CG HIS A 54 3.213 0.562 -1.446 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.469 0.183 -2.747 1.00 0.00 N ATOM 834 CD2 HIS A 54 2.909 1.880 -1.498 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.322 1.223 -3.547 1.00 0.00 C ATOM 836 NE2 HIS A 54 2.983 2.265 -2.815 1.00 0.00 N ATOM 0 H HIS A 54 1.167 0.157 1.022 1.00 0.00 H new ATOM 0 HA HIS A 54 1.789 -1.632 -1.179 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.380 0.184 0.634 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.183 -0.996 -0.384 1.00 0.00 H new ATOM 0 HD1 HIS A 54 3.732 -0.756 -3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.655 2.512 -0.660 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.457 1.220 -4.619 1.00 0.00 H new ATOM 845 N GLU A 55 1.761 -2.667 1.800 1.00 0.00 N ATOM 846 CA GLU A 55 1.976 -3.791 2.704 1.00 0.00 C ATOM 847 C GLU A 55 0.640 -4.315 3.219 1.00 0.00 C ATOM 848 O GLU A 55 -0.135 -3.574 3.830 1.00 0.00 O ATOM 849 CB GLU A 55 2.833 -3.358 3.892 1.00 0.00 C ATOM 850 CG GLU A 55 4.225 -2.889 3.517 1.00 0.00 C ATOM 851 CD GLU A 55 4.972 -2.347 4.707 1.00 0.00 C ATOM 852 OE1 GLU A 55 4.875 -1.131 4.962 1.00 0.00 O ATOM 853 OE2 GLU A 55 5.624 -3.137 5.415 1.00 0.00 O ATOM 0 H GLU A 55 1.062 -1.999 2.126 1.00 0.00 H new ATOM 0 HA GLU A 55 2.489 -4.580 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.321 -2.554 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.918 -4.193 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.784 -3.719 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.154 -2.118 2.750 1.00 0.00 H new ATOM 860 N HIS A 56 0.384 -5.595 2.980 1.00 0.00 N ATOM 861 CA HIS A 56 -0.847 -6.233 3.425 1.00 0.00 C ATOM 862 C HIS A 56 -0.933 -6.221 4.952 1.00 0.00 C ATOM 863 O HIS A 56 -2.019 -6.106 5.517 1.00 0.00 O ATOM 864 CB HIS A 56 -0.914 -7.672 2.891 1.00 0.00 C ATOM 865 CG HIS A 56 -2.181 -8.404 3.232 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.182 -8.650 2.314 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.599 -8.959 4.395 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.158 -9.320 2.903 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.826 -9.519 4.161 1.00 0.00 N ATOM 0 H HIS A 56 1.018 -6.215 2.477 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.696 -5.674 3.032 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.803 -7.649 1.807 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.067 -8.233 3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.063 -8.960 5.333 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.073 -9.648 2.432 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.393 -10.012 4.851 1.00 0.00 H new ATOM 878 N ARG A 57 0.214 -6.331 5.611 1.00 0.00 N ATOM 879 CA ARG A 57 0.261 -6.347 7.068 1.00 0.00 C ATOM 880 C ARG A 57 -0.168 -5.001 7.648 1.00 0.00 C ATOM 881 O ARG A 57 -0.846 -4.943 8.674 1.00 0.00 O ATOM 882 CB ARG A 57 1.666 -6.724 7.545 1.00 0.00 C ATOM 883 CG ARG A 57 1.813 -6.807 9.058 1.00 0.00 C ATOM 884 CD ARG A 57 0.696 -7.625 9.693 1.00 0.00 C ATOM 885 NE ARG A 57 0.527 -8.932 9.056 1.00 0.00 N ATOM 886 CZ ARG A 57 -0.555 -9.694 9.206 1.00 0.00 C ATOM 887 NH1 ARG A 57 -1.552 -9.291 9.987 1.00 0.00 N ATOM 888 NH2 ARG A 57 -0.644 -10.863 8.581 1.00 0.00 N ATOM 0 H ARG A 57 1.125 -6.411 5.159 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.442 -7.099 7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.938 -7.687 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.376 -5.991 7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.776 -7.254 9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.811 -5.801 9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.910 -7.766 10.752 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.239 -7.069 9.628 1.00 0.00 H new ATOM 0 HE ARG A 57 1.281 -9.279 8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.490 -8.396 10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.380 -9.876 10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.119 -11.181 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.475 -11.443 8.699 1.00 0.00 H new ATOM 902 N HIS A 58 0.195 -3.918 6.976 1.00 0.00 N ATOM 903 CA HIS A 58 -0.170 -2.592 7.451 1.00 0.00 C ATOM 904 C HIS A 58 -1.612 -2.288 7.083 1.00 0.00 C ATOM 905 O HIS A 58 -2.296 -1.536 7.771 1.00 0.00 O ATOM 906 CB HIS A 58 0.777 -1.521 6.902 1.00 0.00 C ATOM 907 CG HIS A 58 2.053 -1.407 7.683 1.00 0.00 C ATOM 908 ND1 HIS A 58 3.297 -1.310 7.100 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.268 -1.360 9.019 1.00 0.00 C ATOM 910 CE1 HIS A 58 4.215 -1.213 8.040 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.619 -1.238 9.215 1.00 0.00 N ATOM 0 H HIS A 58 0.735 -3.930 6.111 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.076 -2.578 8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.013 -1.751 5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.268 -0.557 6.907 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.479 -1.313 6.096 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.513 -1.410 9.789 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.279 -1.127 7.875 1.00 0.00 H new ATOM 920 N ALA A 59 -2.071 -2.897 6.001 1.00 0.00 N ATOM 921 CA ALA A 59 -3.466 -2.799 5.604 1.00 0.00 C ATOM 922 C ALA A 59 -4.358 -3.448 6.658 1.00 0.00 C ATOM 923 O ALA A 59 -5.441 -2.955 6.966 1.00 0.00 O ATOM 924 CB ALA A 59 -3.670 -3.460 4.251 1.00 0.00 C ATOM 0 H ALA A 59 -1.495 -3.466 5.380 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.739 -1.747 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.718 -3.382 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.050 -2.962 3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.389 -4.511 4.313 1.00 0.00 H new ATOM 930 N ALA A 60 -3.873 -4.553 7.216 1.00 0.00 N ATOM 931 CA ALA A 60 -4.592 -5.282 8.255 1.00 0.00 C ATOM 932 C ALA A 60 -4.733 -4.447 9.522 1.00 0.00 C ATOM 933 O ALA A 60 -5.790 -4.435 10.160 1.00 0.00 O ATOM 934 CB ALA A 60 -3.871 -6.578 8.570 1.00 0.00 C ATOM 0 H ALA A 60 -2.976 -4.966 6.962 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.592 -5.502 7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.414 -7.117 9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.818 -7.193 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.862 -6.358 8.919 1.00 0.00 H new ATOM 940 N ALA A 61 -3.658 -3.758 9.884 1.00 0.00 N ATOM 941 CA ALA A 61 -3.654 -2.914 11.070 1.00 0.00 C ATOM 942 C ALA A 61 -4.601 -1.732 10.899 1.00 0.00 C ATOM 943 O ALA A 61 -5.273 -1.316 11.845 1.00 0.00 O ATOM 944 CB ALA A 61 -2.242 -2.435 11.369 1.00 0.00 C ATOM 0 H ALA A 61 -2.776 -3.768 9.371 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.006 -3.505 11.915 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.252 -1.805 12.258 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.595 -3.295 11.541 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.865 -1.861 10.522 1.00 0.00 H new ATOM 950 N ALA A 62 -4.658 -1.198 9.685 1.00 0.00 N ATOM 951 CA ALA A 62 -5.554 -0.093 9.380 1.00 0.00 C ATOM 952 C ALA A 62 -7.004 -0.558 9.402 1.00 0.00 C ATOM 953 O ALA A 62 -7.889 0.163 9.855 1.00 0.00 O ATOM 954 CB ALA A 62 -5.212 0.509 8.027 1.00 0.00 C ATOM 0 H ALA A 62 -4.093 -1.514 8.896 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.426 0.674 10.144 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.891 1.334 7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.186 0.878 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.313 -0.253 7.254 1.00 0.00 H new ATOM 960 N LEU A 63 -7.221 -1.778 8.923 1.00 0.00 N ATOM 961 CA LEU A 63 -8.551 -2.374 8.859 1.00 0.00 C ATOM 962 C LEU A 63 -9.247 -2.300 10.220 1.00 0.00 C ATOM 963 O LEU A 63 -10.325 -1.719 10.347 1.00 0.00 O ATOM 964 CB LEU A 63 -8.424 -3.838 8.393 1.00 0.00 C ATOM 965 CG LEU A 63 -9.710 -4.530 7.908 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.659 -4.842 9.059 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.407 -3.682 6.860 1.00 0.00 C ATOM 0 H LEU A 63 -6.480 -2.382 8.568 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.160 -1.818 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.694 -3.874 7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.015 -4.422 9.218 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.419 -5.480 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.553 -5.330 8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.164 -5.504 9.770 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.940 -3.916 9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.314 -4.187 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.666 -2.714 7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.742 -3.535 6.009 1.00 0.00 H new ATOM 979 N ALA A 64 -8.606 -2.860 11.237 1.00 0.00 N ATOM 980 CA ALA A 64 -9.215 -2.976 12.556 1.00 0.00 C ATOM 981 C ALA A 64 -9.278 -1.635 13.286 1.00 0.00 C ATOM 982 O ALA A 64 -10.116 -1.441 14.166 1.00 0.00 O ATOM 983 CB ALA A 64 -8.456 -3.995 13.389 1.00 0.00 C ATOM 0 H ALA A 64 -7.662 -3.242 11.174 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.242 -3.312 12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.917 -4.076 14.373 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.486 -4.965 12.893 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.420 -3.676 13.499 1.00 0.00 H new ATOM 989 N ALA A 65 -8.409 -0.706 12.914 1.00 0.00 N ATOM 990 CA ALA A 65 -8.318 0.569 13.618 1.00 0.00 C ATOM 991 C ALA A 65 -9.244 1.622 13.017 1.00 0.00 C ATOM 992 O ALA A 65 -9.713 2.520 13.716 1.00 0.00 O ATOM 993 CB ALA A 65 -6.883 1.072 13.617 1.00 0.00 C ATOM 0 H ALA A 65 -7.760 -0.808 12.134 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.639 0.396 14.645 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.831 2.024 14.146 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.242 0.345 14.115 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.546 1.209 12.589 1.00 0.00 H new ATOM 999 N MET A 66 -9.510 1.513 11.726 1.00 0.00 N ATOM 1000 CA MET A 66 -10.300 2.520 11.029 1.00 0.00 C ATOM 1001 C MET A 66 -11.776 2.125 11.015 1.00 0.00 C ATOM 1002 O MET A 66 -12.651 2.966 11.209 1.00 0.00 O ATOM 1003 CB MET A 66 -9.773 2.679 9.597 1.00 0.00 C ATOM 1004 CG MET A 66 -9.902 4.083 9.017 1.00 0.00 C ATOM 1005 SD MET A 66 -11.606 4.586 8.726 1.00 0.00 S ATOM 1006 CE MET A 66 -11.351 6.111 7.826 1.00 0.00 C ATOM 0 H MET A 66 -9.193 0.741 11.139 1.00 0.00 H new ATOM 0 HA MET A 66 -10.210 3.472 11.552 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.722 2.389 9.578 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.307 1.984 8.950 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.433 4.793 9.698 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.352 4.131 8.077 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.316 6.549 7.571 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.788 6.809 8.445 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.793 5.905 6.912 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.047 0.839 10.812 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.424 0.358 10.710 1.00 0.00 C ATOM 1018 C ASN A 67 -14.187 0.577 12.015 1.00 0.00 C ATOM 1019 O ASN A 67 -13.740 0.163 13.087 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.453 -1.127 10.333 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.859 -1.638 10.062 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.743 -0.884 9.651 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.071 -2.928 10.269 1.00 0.00 N ATOM 0 H ASN A 67 -11.337 0.113 10.715 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.914 0.933 9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.837 -1.285 9.448 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.008 -1.711 11.139 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.991 -3.329 10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.314 -3.521 10.610 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.330 1.247 11.915 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.168 1.467 13.077 1.00 0.00 C ATOM 1032 C GLY A 68 -15.816 2.738 13.826 1.00 0.00 C ATOM 1033 O GLY A 68 -16.392 3.025 14.875 1.00 0.00 O ATOM 0 H GLY A 68 -15.691 1.642 11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.211 1.513 12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.076 0.616 13.752 1.00 0.00 H new ATOM 1037 N ARG A 69 -14.881 3.507 13.290 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.440 4.723 13.954 1.00 0.00 C ATOM 1039 C ARG A 69 -15.270 5.915 13.479 1.00 0.00 C ATOM 1040 O ARG A 69 -15.626 6.008 12.304 1.00 0.00 O ATOM 1041 CB ARG A 69 -12.946 4.949 13.704 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.375 6.143 14.447 1.00 0.00 C ATOM 1043 CD ARG A 69 -10.856 6.121 14.490 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.322 7.319 15.140 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.128 7.389 15.736 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.374 6.303 15.863 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -8.711 8.539 16.247 1.00 0.00 N ATOM 0 H ARG A 69 -14.416 3.313 12.403 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.589 4.618 15.029 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.398 4.054 13.998 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.782 5.086 12.635 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.710 7.062 13.966 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.765 6.156 15.465 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.519 5.234 15.026 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.463 6.050 13.476 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.901 8.158 15.138 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.705 5.407 15.504 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.464 6.365 16.319 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.301 9.369 16.185 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.800 8.594 16.702 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.596 6.815 14.398 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.444 7.952 14.074 1.00 0.00 C ATOM 1063 C LYS A 70 -15.640 9.077 13.442 1.00 0.00 C ATOM 1064 O LYS A 70 -14.707 9.611 14.045 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.168 8.466 15.318 1.00 0.00 C ATOM 1066 CG LYS A 70 -17.977 9.732 15.066 1.00 0.00 C ATOM 1067 CD LYS A 70 -18.800 10.122 16.280 1.00 0.00 C ATOM 1068 CE LYS A 70 -19.849 9.070 16.592 1.00 0.00 C ATOM 1069 NZ LYS A 70 -20.706 9.461 17.741 1.00 0.00 N ATOM 0 H LYS A 70 -15.287 6.779 15.369 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.186 7.609 13.352 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.833 7.687 15.691 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.435 8.661 16.101 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.304 10.548 14.805 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.637 9.578 14.213 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.144 10.252 17.141 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.285 11.081 16.101 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.473 8.909 15.713 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.358 8.122 16.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.408 8.715 17.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.115 9.590 18.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.196 10.352 17.522 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.017 9.434 12.226 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.358 10.509 11.501 1.00 0.00 C ATOM 1085 C ILE A 71 -16.392 11.388 10.804 1.00 0.00 C ATOM 1086 O ILE A 71 -17.036 10.959 9.841 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.352 9.964 10.460 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.265 9.138 11.157 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.727 11.108 9.671 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.256 8.533 10.212 1.00 0.00 C ATOM 0 H ILE A 71 -16.782 8.992 11.716 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.804 11.103 12.228 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.888 9.319 9.763 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.743 9.773 11.872 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.739 8.339 11.727 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.022 10.706 8.943 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.509 11.661 9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.202 11.777 10.353 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.520 7.964 10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.765 7.870 9.512 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.753 9.327 9.660 1.00 0.00 H new ATOM 1102 N MET A 72 -16.552 12.607 11.313 1.00 0.00 N ATOM 1103 CA MET A 72 -17.501 13.581 10.772 1.00 0.00 C ATOM 1104 C MET A 72 -18.941 13.139 11.024 1.00 0.00 C ATOM 1105 O MET A 72 -19.767 13.128 10.113 1.00 0.00 O ATOM 1106 CB MET A 72 -17.269 13.825 9.273 1.00 0.00 C ATOM 1107 CG MET A 72 -15.895 14.387 8.942 1.00 0.00 C ATOM 1108 SD MET A 72 -15.567 15.967 9.744 1.00 0.00 S ATOM 1109 CE MET A 72 -13.947 16.352 9.081 1.00 0.00 C ATOM 0 H MET A 72 -16.025 12.950 12.116 1.00 0.00 H new ATOM 0 HA MET A 72 -17.331 14.523 11.294 1.00 0.00 H new ATOM 0 HB2 MET A 72 -17.404 12.885 8.737 1.00 0.00 H new ATOM 0 HB3 MET A 72 -18.030 14.514 8.906 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.133 13.668 9.243 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.809 14.509 7.862 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.606 17.305 9.485 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.244 15.567 9.360 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.005 16.418 7.995 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.212 12.748 12.269 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.568 12.427 12.692 1.00 0.00 C ATOM 1121 C GLY A 73 -21.185 11.251 11.954 1.00 0.00 C ATOM 1122 O GLY A 73 -22.355 11.295 11.585 1.00 0.00 O ATOM 0 H GLY A 73 -18.508 12.647 13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.562 12.210 13.760 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.199 13.304 12.549 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.409 10.200 11.740 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.917 9.005 11.075 1.00 0.00 C ATOM 1128 C LYS A 74 -20.055 7.801 11.432 1.00 0.00 C ATOM 1129 O LYS A 74 -18.888 7.957 11.805 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.916 9.189 9.554 1.00 0.00 C ATOM 1131 CG LYS A 74 -19.523 9.273 8.968 1.00 0.00 C ATOM 1132 CD LYS A 74 -19.552 9.186 7.460 1.00 0.00 C ATOM 1133 CE LYS A 74 -18.227 9.621 6.872 1.00 0.00 C ATOM 1134 NZ LYS A 74 -17.913 11.017 7.262 1.00 0.00 N ATOM 0 H LYS A 74 -19.428 10.148 12.015 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.940 8.839 11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -21.448 8.357 9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -21.465 10.097 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -19.055 10.210 9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.909 8.466 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.773 8.163 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.352 9.815 7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.435 8.955 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.262 9.541 5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.026 11.313 6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.684 11.644 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.808 11.074 8.295 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.632 6.609 11.325 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.880 5.380 11.505 1.00 0.00 C ATOM 1150 C GLU A 75 -19.311 4.929 10.165 1.00 0.00 C ATOM 1151 O GLU A 75 -20.059 4.574 9.250 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.762 4.269 12.084 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.524 4.655 13.342 1.00 0.00 C ATOM 1154 CD GLU A 75 -22.904 5.206 13.043 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -23.823 4.399 12.774 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -23.082 6.442 13.076 1.00 0.00 O ATOM 0 H GLU A 75 -21.620 6.471 11.114 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.070 5.576 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.478 3.958 11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -20.136 3.405 12.305 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -21.618 3.782 13.988 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.952 5.400 13.895 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.994 4.956 10.046 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.331 4.575 8.807 1.00 0.00 C ATOM 1165 C VAL A 76 -17.282 3.059 8.662 1.00 0.00 C ATOM 1166 O VAL A 76 -17.428 2.324 9.643 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.894 5.120 8.741 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.875 6.630 8.942 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.021 4.421 9.764 1.00 0.00 C ATOM 0 H VAL A 76 -17.360 5.238 10.794 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.914 5.007 7.994 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.491 4.915 7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.848 6.991 8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.467 7.108 8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.297 6.873 9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.007 4.816 9.707 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.422 4.593 10.763 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.006 3.351 9.559 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.062 2.596 7.442 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.964 1.172 7.177 1.00 0.00 C ATOM 1181 C LYS A 77 -15.706 0.857 6.403 1.00 0.00 C ATOM 1182 O LYS A 77 -15.502 1.371 5.310 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.182 0.683 6.399 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.473 0.812 7.174 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.636 0.196 6.417 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.874 0.085 7.291 1.00 0.00 C ATOM 1187 NZ LYS A 77 -21.687 -0.885 8.401 1.00 0.00 N ATOM 0 H LYS A 77 -16.948 3.188 6.619 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.927 0.656 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.264 1.249 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.034 -0.361 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.368 0.324 8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.679 1.865 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.862 0.802 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.354 -0.793 6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.116 1.065 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.723 -0.222 6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.615 -1.162 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.193 -1.728 8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.122 -0.445 9.155 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.867 0.019 6.983 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.633 -0.398 6.341 1.00 0.00 C ATOM 1203 C VAL A 78 -13.520 -1.912 6.382 1.00 0.00 C ATOM 1204 O VAL A 78 -13.315 -2.495 7.444 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.392 0.219 7.027 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.118 -0.139 6.275 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.533 1.727 7.147 1.00 0.00 C ATOM 0 H VAL A 78 -15.019 -0.389 7.905 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.664 -0.047 5.310 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.324 -0.200 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.261 0.307 6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.001 -1.223 6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.178 0.241 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.648 2.138 7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.637 2.163 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.416 1.964 7.741 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.682 -2.548 5.233 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.575 -3.998 5.151 1.00 0.00 C ATOM 1219 C ASN A 79 -12.580 -4.402 4.070 1.00 0.00 C ATOM 1220 O ASN A 79 -12.072 -3.553 3.332 1.00 0.00 O ATOM 1221 CB ASN A 79 -14.953 -4.638 4.897 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.608 -4.220 3.584 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -14.944 -3.954 2.592 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.933 -4.183 3.568 1.00 0.00 N ATOM 0 H ASN A 79 -13.887 -2.086 4.347 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.206 -4.367 6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -14.844 -5.722 4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.618 -4.378 5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -17.426 -3.927 2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.460 -4.410 4.411 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.293 -5.691 3.988 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.363 -6.193 2.997 1.00 0.00 C ATOM 1233 C TRP A 80 -12.037 -6.311 1.641 1.00 0.00 C ATOM 1234 O TRP A 80 -12.914 -7.154 1.437 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.790 -7.545 3.422 1.00 0.00 C ATOM 1236 CG TRP A 80 -9.756 -7.434 4.495 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -9.920 -7.679 5.826 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -8.389 -7.041 4.322 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -8.738 -7.467 6.491 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -7.785 -7.075 5.590 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -7.618 -6.666 3.217 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -6.448 -6.748 5.783 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -6.291 -6.342 3.411 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -5.717 -6.385 4.686 1.00 0.00 C ATOM 0 H TRP A 80 -12.692 -6.406 4.596 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.541 -5.481 2.917 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.602 -8.182 3.773 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.352 -8.036 2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -10.844 -7.994 6.289 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -8.593 -7.583 7.494 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.054 -6.631 2.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -6.002 -6.780 6.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -5.686 -6.051 2.565 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -4.675 -6.126 4.806 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.633 -5.451 0.722 1.00 0.00 N ATOM 1256 CA ALA A 81 -12.165 -5.474 -0.625 1.00 0.00 C ATOM 1257 C ALA A 81 -11.367 -6.443 -1.478 1.00 0.00 C ATOM 1258 O ALA A 81 -10.206 -6.191 -1.805 1.00 0.00 O ATOM 1259 CB ALA A 81 -12.139 -4.080 -1.236 1.00 0.00 C ATOM 0 H ALA A 81 -10.935 -4.726 0.888 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.202 -5.808 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.543 -4.119 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.744 -3.406 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.112 -3.716 -1.269 1.00 0.00 H new