USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=13 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 28 SER OG : rot 59:sc= 1.46 USER MOD Set 1.2: A 33 CYS SG : rot -116:sc= 0.366 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.16) USER MOD Single : A 8 THR OG1 : rot -43:sc= 1.34 USER MOD Single : A 10 TYR OH : rot 120:sc= 0.444 USER MOD Single : A 13 ASN : amide:sc= -2.23! K(o=-2.2!,f=-1.7) USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.01 K(o=-1,f=-0.062) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.21) USER MOD Single : A 35 ASN : amide:sc= -0.0825 K(o=-0.083,f=-1.7) USER MOD Single : A 36 CYS SG : rot -160:sc= -1.35 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 31:sc= 0.776 USER MOD Single : A 54 HIS : no HD1:sc= -0.744 X(o=-0.74,f=-0.76) USER MOD Single : A 56 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-1.1) USER MOD Single : A 58 HIS : no HE2:sc= 0.393 K(o=0.39,f=-4.3!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -160:sc= 0 (180deg=-0.046) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.789 K(o=-0.79,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -6.515 -12.730 -0.736 1.00 0.00 N ATOM 63 CA MET A 5 -5.609 -11.771 -0.111 1.00 0.00 C ATOM 64 C MET A 5 -5.481 -10.513 -0.976 1.00 0.00 C ATOM 65 O MET A 5 -4.553 -10.371 -1.770 1.00 0.00 O ATOM 66 CB MET A 5 -4.239 -12.419 0.146 1.00 0.00 C ATOM 67 CG MET A 5 -3.645 -13.123 -1.063 1.00 0.00 C ATOM 68 SD MET A 5 -2.135 -14.025 -0.665 1.00 0.00 S ATOM 69 CE MET A 5 -1.741 -14.734 -2.263 1.00 0.00 C ATOM 0 HA MET A 5 -6.022 -11.471 0.852 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.544 -11.650 0.482 1.00 0.00 H new ATOM 0 HB3 MET A 5 -4.337 -13.138 0.959 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.380 -13.815 -1.474 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.431 -12.388 -1.839 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.828 -15.324 -2.184 1.00 0.00 H new ATOM 0 HE2 MET A 5 -2.560 -15.375 -2.589 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.595 -13.935 -2.990 1.00 0.00 H new ATOM 79 N PRO A 6 -6.431 -9.580 -0.814 1.00 0.00 N ATOM 80 CA PRO A 6 -6.545 -8.398 -1.678 1.00 0.00 C ATOM 81 C PRO A 6 -5.529 -7.292 -1.389 1.00 0.00 C ATOM 82 O PRO A 6 -4.957 -6.721 -2.315 1.00 0.00 O ATOM 83 CB PRO A 6 -7.954 -7.898 -1.384 1.00 0.00 C ATOM 84 CG PRO A 6 -8.243 -8.338 0.008 1.00 0.00 C ATOM 85 CD PRO A 6 -7.490 -9.621 0.213 1.00 0.00 C ATOM 0 HA PRO A 6 -6.349 -8.662 -2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.014 -6.813 -1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.675 -8.316 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.926 -7.583 0.727 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.313 -8.488 0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.070 -9.682 1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.137 -10.489 0.085 1.00 0.00 H new ATOM 93 N LYS A 7 -5.342 -6.986 -0.099 1.00 0.00 N ATOM 94 CA LYS A 7 -4.469 -5.889 0.362 1.00 0.00 C ATOM 95 C LYS A 7 -5.179 -4.537 0.237 1.00 0.00 C ATOM 96 O LYS A 7 -4.878 -3.602 0.975 1.00 0.00 O ATOM 97 CB LYS A 7 -3.124 -5.867 -0.390 1.00 0.00 C ATOM 98 CG LYS A 7 -2.169 -4.777 0.079 1.00 0.00 C ATOM 99 CD LYS A 7 -0.910 -4.717 -0.776 1.00 0.00 C ATOM 100 CE LYS A 7 -0.075 -5.980 -0.653 1.00 0.00 C ATOM 101 NZ LYS A 7 1.215 -5.869 -1.389 1.00 0.00 N ATOM 0 H LYS A 7 -5.793 -7.493 0.662 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.252 -6.072 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.638 -6.836 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.317 -5.733 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.676 -3.812 0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.894 -4.958 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.188 -4.567 -1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.311 -3.856 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.124 -6.182 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.641 -6.828 -1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.668 -6.804 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.036 -5.520 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.843 -5.206 -0.891 1.00 0.00 H new ATOM 115 N THR A 8 -6.129 -4.450 -0.686 1.00 0.00 N ATOM 116 CA THR A 8 -6.907 -3.236 -0.885 1.00 0.00 C ATOM 117 C THR A 8 -8.020 -3.132 0.159 1.00 0.00 C ATOM 118 O THR A 8 -8.679 -4.125 0.478 1.00 0.00 O ATOM 119 CB THR A 8 -7.533 -3.225 -2.294 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.568 -3.680 -3.253 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.007 -1.830 -2.674 1.00 0.00 C ATOM 0 H THR A 8 -6.380 -5.214 -1.313 1.00 0.00 H new ATOM 0 HA THR A 8 -6.235 -2.385 -0.779 1.00 0.00 H new ATOM 0 HB THR A 8 -8.396 -3.891 -2.289 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.698 -3.272 -3.061 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.444 -1.854 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.756 -1.493 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.161 -1.143 -2.664 1.00 0.00 H new ATOM 129 N LEU A 9 -8.221 -1.940 0.704 1.00 0.00 N ATOM 130 CA LEU A 9 -9.283 -1.732 1.678 1.00 0.00 C ATOM 131 C LEU A 9 -10.451 -0.981 1.054 1.00 0.00 C ATOM 132 O LEU A 9 -10.265 -0.039 0.278 1.00 0.00 O ATOM 133 CB LEU A 9 -8.785 -0.974 2.916 1.00 0.00 C ATOM 134 CG LEU A 9 -7.848 -1.748 3.850 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.424 -3.116 4.185 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.465 -1.881 3.241 1.00 0.00 C ATOM 0 H LEU A 9 -7.668 -1.110 0.491 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.618 -2.719 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.269 -0.073 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.652 -0.650 3.492 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.756 -1.183 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.741 -3.646 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.388 -2.994 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.556 -3.690 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.819 -2.434 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.535 -2.415 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.047 -0.889 3.068 1.00 0.00 H new ATOM 148 N TYR A 10 -11.649 -1.415 1.401 1.00 0.00 N ATOM 149 CA TYR A 10 -12.879 -0.813 0.915 1.00 0.00 C ATOM 150 C TYR A 10 -13.507 0.022 2.020 1.00 0.00 C ATOM 151 O TYR A 10 -14.139 -0.515 2.932 1.00 0.00 O ATOM 152 CB TYR A 10 -13.845 -1.913 0.467 1.00 0.00 C ATOM 153 CG TYR A 10 -15.172 -1.419 -0.073 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.302 -1.368 0.739 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.300 -1.025 -1.397 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.518 -0.935 0.244 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.511 -0.589 -1.899 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.617 -0.548 -1.075 1.00 0.00 C ATOM 159 OH TYR A 10 -18.828 -0.120 -1.571 1.00 0.00 O ATOM 0 H TYR A 10 -11.798 -2.202 2.033 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.660 -0.167 0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.358 -2.513 -0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.037 -2.574 1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.227 -1.672 1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.438 -1.060 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.385 -0.900 0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.592 -0.282 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.741 0.800 -1.897 1.00 0.00 H new ATOM 169 N VAL A 11 -13.318 1.329 1.952 1.00 0.00 N ATOM 170 CA VAL A 11 -13.862 2.221 2.960 1.00 0.00 C ATOM 171 C VAL A 11 -15.140 2.879 2.463 1.00 0.00 C ATOM 172 O VAL A 11 -15.117 3.671 1.526 1.00 0.00 O ATOM 173 CB VAL A 11 -12.844 3.300 3.382 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.466 4.281 4.367 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.620 2.645 3.996 1.00 0.00 C ATOM 0 H VAL A 11 -12.793 1.794 1.211 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.090 1.614 3.836 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.545 3.856 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.727 5.031 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.322 4.771 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.795 3.744 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.906 3.414 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.917 2.069 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.157 1.981 3.265 1.00 0.00 H new ATOM 185 N GLY A 12 -16.251 2.535 3.093 1.00 0.00 N ATOM 186 CA GLY A 12 -17.533 3.067 2.686 1.00 0.00 C ATOM 187 C GLY A 12 -18.110 4.020 3.707 1.00 0.00 C ATOM 188 O GLY A 12 -17.507 4.249 4.761 1.00 0.00 O ATOM 0 H GLY A 12 -16.287 1.892 3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.423 3.583 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.230 2.245 2.525 1.00 0.00 H new ATOM 192 N ASN A 13 -19.281 4.562 3.384 1.00 0.00 N ATOM 193 CA ASN A 13 -19.983 5.527 4.228 1.00 0.00 C ATOM 194 C ASN A 13 -19.229 6.846 4.301 1.00 0.00 C ATOM 195 O ASN A 13 -19.034 7.412 5.375 1.00 0.00 O ATOM 196 CB ASN A 13 -20.252 4.987 5.642 1.00 0.00 C ATOM 197 CG ASN A 13 -21.296 3.881 5.678 1.00 0.00 C ATOM 198 OD1 ASN A 13 -21.358 3.099 6.626 1.00 0.00 O ATOM 199 ND2 ASN A 13 -22.116 3.787 4.646 1.00 0.00 N ATOM 0 H ASN A 13 -19.775 4.342 2.519 1.00 0.00 H new ATOM 0 HA ASN A 13 -20.950 5.701 3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.320 4.610 6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.581 5.808 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.823 3.052 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.042 4.449 3.874 1.00 0.00 H new ATOM 206 N LEU A 14 -18.809 7.338 3.145 1.00 0.00 N ATOM 207 CA LEU A 14 -18.165 8.639 3.069 1.00 0.00 C ATOM 208 C LEU A 14 -19.212 9.741 2.995 1.00 0.00 C ATOM 209 O LEU A 14 -20.309 9.539 2.476 1.00 0.00 O ATOM 210 CB LEU A 14 -17.242 8.725 1.853 1.00 0.00 C ATOM 211 CG LEU A 14 -15.980 7.866 1.922 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.108 8.113 0.704 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.203 8.146 3.204 1.00 0.00 C ATOM 0 H LEU A 14 -18.902 6.857 2.250 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.565 8.769 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.809 8.437 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.945 9.765 1.717 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.278 6.818 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.212 7.495 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.663 7.858 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.821 9.164 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.309 7.523 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.914 9.197 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.830 7.919 4.066 1.00 0.00 H new ATOM 225 N SER A 15 -18.874 10.900 3.524 1.00 0.00 N ATOM 226 CA SER A 15 -19.762 12.047 3.476 1.00 0.00 C ATOM 227 C SER A 15 -19.057 13.227 2.831 1.00 0.00 C ATOM 228 O SER A 15 -17.847 13.187 2.607 1.00 0.00 O ATOM 229 CB SER A 15 -20.203 12.436 4.886 1.00 0.00 C ATOM 230 OG SER A 15 -20.776 11.339 5.567 1.00 0.00 O ATOM 0 H SER A 15 -17.986 11.074 3.995 1.00 0.00 H new ATOM 0 HA SER A 15 -20.638 11.778 2.885 1.00 0.00 H new ATOM 0 HB2 SER A 15 -19.346 12.808 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 15 -20.926 13.250 4.831 1.00 0.00 H new ATOM 0 HG SER A 15 -21.189 11.650 6.399 1.00 0.00 H new ATOM 236 N ARG A 16 -19.814 14.281 2.549 1.00 0.00 N ATOM 237 CA ARG A 16 -19.240 15.523 2.043 1.00 0.00 C ATOM 238 C ARG A 16 -18.466 16.221 3.157 1.00 0.00 C ATOM 239 O ARG A 16 -17.713 17.165 2.921 1.00 0.00 O ATOM 240 CB ARG A 16 -20.338 16.448 1.507 1.00 0.00 C ATOM 241 CG ARG A 16 -21.261 15.774 0.504 1.00 0.00 C ATOM 242 CD ARG A 16 -20.480 15.095 -0.607 1.00 0.00 C ATOM 243 NE ARG A 16 -21.355 14.402 -1.554 1.00 0.00 N ATOM 244 CZ ARG A 16 -21.061 14.204 -2.841 1.00 0.00 C ATOM 245 NH1 ARG A 16 -19.944 14.708 -3.359 1.00 0.00 N ATOM 246 NH2 ARG A 16 -21.896 13.518 -3.615 1.00 0.00 N ATOM 0 H ARG A 16 -20.828 14.301 2.662 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.561 15.287 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.931 16.818 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.874 17.315 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.880 15.038 1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.936 16.515 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -19.888 15.839 -1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -19.780 14.381 -0.173 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.247 14.048 -1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -19.308 15.248 -2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -19.723 14.554 -4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -22.761 13.143 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -21.672 13.366 -4.598 1.00 0.00 H new ATOM 260 N ASP A 17 -18.670 15.739 4.377 1.00 0.00 N ATOM 261 CA ASP A 17 -17.945 16.227 5.539 1.00 0.00 C ATOM 262 C ASP A 17 -16.573 15.569 5.613 1.00 0.00 C ATOM 263 O ASP A 17 -15.695 16.016 6.347 1.00 0.00 O ATOM 264 CB ASP A 17 -18.728 15.931 6.826 1.00 0.00 C ATOM 265 CG ASP A 17 -20.121 16.528 6.829 1.00 0.00 C ATOM 266 OD1 ASP A 17 -20.248 17.756 7.023 1.00 0.00 O ATOM 267 OD2 ASP A 17 -21.097 15.765 6.645 1.00 0.00 O ATOM 0 H ASP A 17 -19.342 15.000 4.586 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.824 17.306 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.802 14.852 6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.172 16.319 7.679 1.00 0.00 H new ATOM 272 N VAL A 18 -16.393 14.501 4.843 1.00 0.00 N ATOM 273 CA VAL A 18 -15.139 13.762 4.843 1.00 0.00 C ATOM 274 C VAL A 18 -14.216 14.282 3.746 1.00 0.00 C ATOM 275 O VAL A 18 -14.579 14.303 2.571 1.00 0.00 O ATOM 276 CB VAL A 18 -15.373 12.245 4.652 1.00 0.00 C ATOM 277 CG1 VAL A 18 -14.056 11.486 4.672 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.313 11.709 5.723 1.00 0.00 C ATOM 0 H VAL A 18 -17.102 14.129 4.211 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.669 13.914 5.815 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.837 12.095 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.247 10.422 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.416 11.846 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.559 11.646 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.465 10.640 5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.877 11.878 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.271 12.225 5.658 1.00 0.00 H new ATOM 288 N THR A 19 -13.032 14.712 4.142 1.00 0.00 N ATOM 289 CA THR A 19 -12.068 15.270 3.209 1.00 0.00 C ATOM 290 C THR A 19 -10.998 14.236 2.847 1.00 0.00 C ATOM 291 O THR A 19 -10.600 13.416 3.681 1.00 0.00 O ATOM 292 CB THR A 19 -11.417 16.544 3.802 1.00 0.00 C ATOM 293 OG1 THR A 19 -10.454 17.099 2.897 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.746 16.252 5.136 1.00 0.00 C ATOM 0 H THR A 19 -12.713 14.685 5.110 1.00 0.00 H new ATOM 0 HA THR A 19 -12.596 15.544 2.296 1.00 0.00 H new ATOM 0 HB THR A 19 -12.216 17.268 3.961 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.058 17.903 3.293 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.299 17.166 5.526 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.488 15.881 5.843 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.970 15.499 4.996 1.00 0.00 H new ATOM 302 N GLU A 20 -10.554 14.283 1.590 1.00 0.00 N ATOM 303 CA GLU A 20 -9.528 13.375 1.072 1.00 0.00 C ATOM 304 C GLU A 20 -8.266 13.436 1.926 1.00 0.00 C ATOM 305 O GLU A 20 -7.649 12.412 2.222 1.00 0.00 O ATOM 306 CB GLU A 20 -9.188 13.758 -0.371 1.00 0.00 C ATOM 307 CG GLU A 20 -8.280 12.766 -1.080 1.00 0.00 C ATOM 308 CD GLU A 20 -9.021 11.537 -1.576 1.00 0.00 C ATOM 309 OE1 GLU A 20 -9.360 11.499 -2.782 1.00 0.00 O ATOM 310 OE2 GLU A 20 -9.259 10.613 -0.775 1.00 0.00 O ATOM 0 H GLU A 20 -10.896 14.953 0.901 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.918 12.358 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.114 13.855 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.709 14.737 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.800 13.260 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.487 12.456 -0.399 1.00 0.00 H new ATOM 317 N ALA A 21 -7.901 14.646 2.336 1.00 0.00 N ATOM 318 CA ALA A 21 -6.690 14.868 3.117 1.00 0.00 C ATOM 319 C ALA A 21 -6.720 14.098 4.434 1.00 0.00 C ATOM 320 O ALA A 21 -5.678 13.685 4.945 1.00 0.00 O ATOM 321 CB ALA A 21 -6.500 16.352 3.381 1.00 0.00 C ATOM 0 H ALA A 21 -8.432 15.494 2.138 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.847 14.496 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.592 16.504 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.415 16.882 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.357 16.736 3.935 1.00 0.00 H new ATOM 327 N LEU A 22 -7.919 13.905 4.975 1.00 0.00 N ATOM 328 CA LEU A 22 -8.085 13.199 6.238 1.00 0.00 C ATOM 329 C LEU A 22 -7.915 11.698 6.035 1.00 0.00 C ATOM 330 O LEU A 22 -7.144 11.053 6.744 1.00 0.00 O ATOM 331 CB LEU A 22 -9.462 13.497 6.833 1.00 0.00 C ATOM 332 CG LEU A 22 -9.731 12.888 8.211 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.759 13.441 9.242 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.166 13.152 8.632 1.00 0.00 C ATOM 0 H LEU A 22 -8.791 14.229 4.556 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.319 13.545 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.582 14.578 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.223 13.136 6.141 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.581 11.810 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.968 12.995 10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.738 13.202 8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.874 14.523 9.307 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.344 12.713 9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.340 14.227 8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.846 12.705 7.907 1.00 0.00 H new ATOM 346 N ILE A 23 -8.629 11.158 5.049 1.00 0.00 N ATOM 347 CA ILE A 23 -8.563 9.731 4.735 1.00 0.00 C ATOM 348 C ILE A 23 -7.129 9.310 4.429 1.00 0.00 C ATOM 349 O ILE A 23 -6.618 8.347 5.006 1.00 0.00 O ATOM 350 CB ILE A 23 -9.473 9.377 3.535 1.00 0.00 C ATOM 351 CG1 ILE A 23 -10.936 9.677 3.871 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.307 7.917 3.131 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.453 8.920 5.078 1.00 0.00 C ATOM 0 H ILE A 23 -9.262 11.689 4.451 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.916 9.189 5.612 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.173 9.995 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.046 10.747 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.555 9.433 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.959 7.697 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.271 7.733 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.573 7.275 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.496 9.184 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.376 7.848 4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.859 9.182 5.954 1.00 0.00 H new ATOM 365 N LEU A 24 -6.485 10.055 3.538 1.00 0.00 N ATOM 366 CA LEU A 24 -5.099 9.798 3.165 1.00 0.00 C ATOM 367 C LEU A 24 -4.204 9.750 4.398 1.00 0.00 C ATOM 368 O LEU A 24 -3.439 8.805 4.585 1.00 0.00 O ATOM 369 CB LEU A 24 -4.603 10.878 2.195 1.00 0.00 C ATOM 370 CG LEU A 24 -4.632 10.498 0.711 1.00 0.00 C ATOM 371 CD1 LEU A 24 -3.652 9.371 0.435 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.035 10.101 0.281 1.00 0.00 C ATOM 0 H LEU A 24 -6.906 10.850 3.056 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.053 8.828 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.210 11.773 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.580 11.141 2.464 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.333 11.370 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.684 9.112 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.645 9.692 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.923 8.499 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.030 9.836 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.367 9.245 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.715 10.937 0.442 1.00 0.00 H new ATOM 384 N GLN A 25 -4.337 10.757 5.252 1.00 0.00 N ATOM 385 CA GLN A 25 -3.492 10.885 6.433 1.00 0.00 C ATOM 386 C GLN A 25 -3.691 9.722 7.402 1.00 0.00 C ATOM 387 O GLN A 25 -2.721 9.191 7.948 1.00 0.00 O ATOM 388 CB GLN A 25 -3.776 12.209 7.140 1.00 0.00 C ATOM 389 CG GLN A 25 -2.951 12.408 8.395 1.00 0.00 C ATOM 390 CD GLN A 25 -3.228 13.732 9.074 1.00 0.00 C ATOM 391 OE1 GLN A 25 -4.118 13.837 9.920 1.00 0.00 O ATOM 392 NE2 GLN A 25 -2.473 14.753 8.705 1.00 0.00 N ATOM 0 H GLN A 25 -5.026 11.501 5.148 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.454 10.865 6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.580 13.030 6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.834 12.255 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.158 11.597 9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.892 12.349 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.747 14.622 8.001 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.617 15.671 9.125 1.00 0.00 H new ATOM 401 N LEU A 26 -4.941 9.332 7.607 1.00 0.00 N ATOM 402 CA LEU A 26 -5.271 8.262 8.543 1.00 0.00 C ATOM 403 C LEU A 26 -4.584 6.956 8.159 1.00 0.00 C ATOM 404 O LEU A 26 -3.934 6.318 8.986 1.00 0.00 O ATOM 405 CB LEU A 26 -6.778 8.058 8.609 1.00 0.00 C ATOM 406 CG LEU A 26 -7.560 9.227 9.205 1.00 0.00 C ATOM 407 CD1 LEU A 26 -9.007 8.833 9.402 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.943 9.668 10.524 1.00 0.00 C ATOM 0 H LEU A 26 -5.748 9.741 7.136 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.908 8.560 9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.149 7.868 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.984 7.164 9.198 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.515 10.067 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.558 9.672 9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.444 8.562 8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.063 7.981 10.080 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.514 10.502 10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.959 8.837 11.229 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.913 9.982 10.357 1.00 0.00 H new ATOM 420 N PHE A 27 -4.710 6.575 6.895 1.00 0.00 N ATOM 421 CA PHE A 27 -4.145 5.316 6.424 1.00 0.00 C ATOM 422 C PHE A 27 -2.628 5.402 6.274 1.00 0.00 C ATOM 423 O PHE A 27 -1.926 4.407 6.464 1.00 0.00 O ATOM 424 CB PHE A 27 -4.804 4.893 5.112 1.00 0.00 C ATOM 425 CG PHE A 27 -6.229 4.454 5.293 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.277 5.325 5.051 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.516 3.169 5.720 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.584 4.921 5.230 1.00 0.00 C ATOM 429 CE2 PHE A 27 -7.821 2.759 5.899 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.855 3.636 5.653 1.00 0.00 C ATOM 0 H PHE A 27 -5.196 7.116 6.180 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.352 4.554 7.175 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.771 5.725 4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.231 4.079 4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.070 6.331 4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.708 2.479 5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.394 5.610 5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.032 1.753 6.231 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.878 3.317 5.791 1.00 0.00 H new ATOM 440 N SER A 28 -2.125 6.594 5.960 1.00 0.00 N ATOM 441 CA SER A 28 -0.684 6.810 5.847 1.00 0.00 C ATOM 442 C SER A 28 -0.001 6.591 7.194 1.00 0.00 C ATOM 443 O SER A 28 1.164 6.183 7.259 1.00 0.00 O ATOM 444 CB SER A 28 -0.391 8.222 5.333 1.00 0.00 C ATOM 445 OG SER A 28 -0.931 8.412 4.035 1.00 0.00 O ATOM 0 H SER A 28 -2.692 7.423 5.780 1.00 0.00 H new ATOM 0 HA SER A 28 -0.287 6.088 5.133 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.813 8.957 6.018 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.686 8.389 5.311 1.00 0.00 H new ATOM 0 HG SER A 28 -1.900 8.270 4.060 1.00 0.00 H new ATOM 451 N GLN A 29 -0.741 6.850 8.266 1.00 0.00 N ATOM 452 CA GLN A 29 -0.234 6.676 9.618 1.00 0.00 C ATOM 453 C GLN A 29 0.021 5.201 9.910 1.00 0.00 C ATOM 454 O GLN A 29 0.950 4.848 10.639 1.00 0.00 O ATOM 455 CB GLN A 29 -1.236 7.251 10.624 1.00 0.00 C ATOM 456 CG GLN A 29 -0.793 7.138 12.072 1.00 0.00 C ATOM 457 CD GLN A 29 0.510 7.865 12.347 1.00 0.00 C ATOM 458 OE1 GLN A 29 1.286 7.454 13.206 1.00 0.00 O ATOM 459 NE2 GLN A 29 0.753 8.957 11.637 1.00 0.00 N ATOM 0 H GLN A 29 -1.704 7.185 8.221 1.00 0.00 H new ATOM 0 HA GLN A 29 0.712 7.210 9.710 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.409 8.301 10.389 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.190 6.737 10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.572 7.542 12.718 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.678 6.085 12.331 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.084 9.266 10.932 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.609 9.488 11.795 1.00 0.00 H new ATOM 468 N ILE A 30 -0.794 4.341 9.323 1.00 0.00 N ATOM 469 CA ILE A 30 -0.677 2.914 9.561 1.00 0.00 C ATOM 470 C ILE A 30 0.344 2.290 8.615 1.00 0.00 C ATOM 471 O ILE A 30 1.281 1.629 9.055 1.00 0.00 O ATOM 472 CB ILE A 30 -2.029 2.187 9.392 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.122 2.866 10.230 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.890 0.719 9.774 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.842 2.875 11.717 1.00 0.00 C ATOM 0 H ILE A 30 -1.541 4.605 8.681 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.346 2.795 10.593 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.324 2.246 8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.242 3.894 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.070 2.358 10.052 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.850 0.218 9.650 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.148 0.245 9.132 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.572 0.642 10.814 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.660 3.372 12.238 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.752 1.850 12.077 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.912 3.410 11.909 1.00 0.00 H new ATOM 487 N GLY A 31 0.179 2.524 7.320 1.00 0.00 N ATOM 488 CA GLY A 31 1.069 1.922 6.349 1.00 0.00 C ATOM 489 C GLY A 31 1.300 2.808 5.145 1.00 0.00 C ATOM 490 O GLY A 31 0.619 3.818 4.979 1.00 0.00 O ATOM 0 H GLY A 31 -0.552 3.117 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.025 1.704 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.652 0.970 6.020 1.00 0.00 H new ATOM 494 N PRO A 32 2.269 2.450 4.291 1.00 0.00 N ATOM 495 CA PRO A 32 2.550 3.176 3.058 1.00 0.00 C ATOM 496 C PRO A 32 1.473 2.927 2.008 1.00 0.00 C ATOM 497 O PRO A 32 1.332 1.809 1.497 1.00 0.00 O ATOM 498 CB PRO A 32 3.901 2.607 2.586 1.00 0.00 C ATOM 499 CG PRO A 32 4.393 1.750 3.704 1.00 0.00 C ATOM 500 CD PRO A 32 3.175 1.312 4.461 1.00 0.00 C ATOM 0 HA PRO A 32 2.573 4.254 3.215 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.783 2.027 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.607 3.408 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.944 0.891 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.074 2.305 4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.753 0.393 4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.396 1.123 5.511 1.00 0.00 H new ATOM 508 N CYS A 33 0.713 3.964 1.697 1.00 0.00 N ATOM 509 CA CYS A 33 -0.358 3.860 0.725 1.00 0.00 C ATOM 510 C CYS A 33 0.195 3.918 -0.698 1.00 0.00 C ATOM 511 O CYS A 33 0.948 4.823 -1.054 1.00 0.00 O ATOM 512 CB CYS A 33 -1.391 4.966 0.959 1.00 0.00 C ATOM 513 SG CYS A 33 -0.674 6.604 1.222 1.00 0.00 S ATOM 0 H CYS A 33 0.820 4.892 2.107 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.852 2.896 0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.062 5.009 0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.998 4.704 1.826 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.947 7.009 2.427 1.00 0.00 H new ATOM 519 N LYS A 34 -0.174 2.930 -1.497 1.00 0.00 N ATOM 520 CA LYS A 34 0.304 2.816 -2.867 1.00 0.00 C ATOM 521 C LYS A 34 -0.521 3.712 -3.781 1.00 0.00 C ATOM 522 O LYS A 34 -0.010 4.285 -4.744 1.00 0.00 O ATOM 523 CB LYS A 34 0.209 1.355 -3.325 1.00 0.00 C ATOM 524 CG LYS A 34 0.691 1.109 -4.748 1.00 0.00 C ATOM 525 CD LYS A 34 0.506 -0.344 -5.161 1.00 0.00 C ATOM 526 CE LYS A 34 -0.960 -0.744 -5.137 1.00 0.00 C ATOM 527 NZ LYS A 34 -1.167 -2.155 -5.558 1.00 0.00 N ATOM 0 H LYS A 34 -0.812 2.185 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 34 1.345 3.135 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.793 0.735 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.828 1.028 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.144 1.755 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.744 1.379 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.909 -0.494 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.072 -0.990 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.356 -0.606 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.525 -0.084 -5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.183 -2.333 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.667 -2.327 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.796 -2.794 -4.826 1.00 0.00 H new ATOM 541 N ASN A 35 -1.801 3.829 -3.458 1.00 0.00 N ATOM 542 CA ASN A 35 -2.725 4.659 -4.218 1.00 0.00 C ATOM 543 C ASN A 35 -4.051 4.740 -3.484 1.00 0.00 C ATOM 544 O ASN A 35 -4.445 3.797 -2.810 1.00 0.00 O ATOM 545 CB ASN A 35 -2.945 4.087 -5.623 1.00 0.00 C ATOM 546 CG ASN A 35 -3.850 4.950 -6.489 1.00 0.00 C ATOM 547 OD1 ASN A 35 -3.916 6.170 -6.328 1.00 0.00 O ATOM 548 ND2 ASN A 35 -4.546 4.320 -7.422 1.00 0.00 N ATOM 0 H ASN A 35 -2.228 3.352 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.296 5.656 -4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.980 3.975 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.378 3.090 -5.538 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.164 4.846 -8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.464 3.308 -7.524 1.00 0.00 H new ATOM 555 N CYS A 36 -4.723 5.863 -3.613 1.00 0.00 N ATOM 556 CA CYS A 36 -6.017 6.058 -2.981 1.00 0.00 C ATOM 557 C CYS A 36 -6.962 6.734 -3.960 1.00 0.00 C ATOM 558 O CYS A 36 -6.593 7.713 -4.609 1.00 0.00 O ATOM 559 CB CYS A 36 -5.874 6.894 -1.710 1.00 0.00 C ATOM 560 SG CYS A 36 -4.810 6.145 -0.453 1.00 0.00 S ATOM 0 H CYS A 36 -4.394 6.663 -4.154 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.427 5.087 -2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.473 7.873 -1.974 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.863 7.059 -1.283 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.069 6.674 0.706 1.00 0.00 H new ATOM 566 N LYS A 37 -8.165 6.199 -4.085 1.00 0.00 N ATOM 567 CA LYS A 37 -9.128 6.719 -5.039 1.00 0.00 C ATOM 568 C LYS A 37 -10.479 6.938 -4.383 1.00 0.00 C ATOM 569 O LYS A 37 -10.895 6.165 -3.524 1.00 0.00 O ATOM 570 CB LYS A 37 -9.280 5.755 -6.212 1.00 0.00 C ATOM 571 CG LYS A 37 -10.167 6.280 -7.328 1.00 0.00 C ATOM 572 CD LYS A 37 -10.048 5.444 -8.589 1.00 0.00 C ATOM 573 CE LYS A 37 -10.448 3.993 -8.354 1.00 0.00 C ATOM 574 NZ LYS A 37 -10.301 3.171 -9.585 1.00 0.00 N ATOM 0 H LYS A 37 -8.497 5.405 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.758 7.678 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.293 5.534 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.691 4.814 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.205 6.287 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.897 7.312 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.679 5.872 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.021 5.482 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.832 3.571 -7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.482 3.952 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.583 2.190 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.908 3.558 -10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.309 3.189 -9.898 1.00 0.00 H new ATOM 588 N MET A 38 -11.173 7.963 -4.832 1.00 0.00 N ATOM 589 CA MET A 38 -12.461 8.320 -4.264 1.00 0.00 C ATOM 590 C MET A 38 -13.565 8.015 -5.265 1.00 0.00 C ATOM 591 O MET A 38 -13.508 8.443 -6.419 1.00 0.00 O ATOM 592 CB MET A 38 -12.506 9.801 -3.853 1.00 0.00 C ATOM 593 CG MET A 38 -12.351 10.780 -5.009 1.00 0.00 C ATOM 594 SD MET A 38 -12.587 12.499 -4.513 1.00 0.00 S ATOM 595 CE MET A 38 -12.418 13.316 -6.097 1.00 0.00 C ATOM 0 H MET A 38 -10.866 8.568 -5.593 1.00 0.00 H new ATOM 0 HA MET A 38 -12.613 7.725 -3.364 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.453 9.997 -3.351 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.715 9.988 -3.126 1.00 0.00 H new ATOM 0 HG2 MET A 38 -11.358 10.666 -5.444 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.071 10.530 -5.788 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.538 14.391 -5.966 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.431 13.108 -6.510 1.00 0.00 H new ATOM 0 HE3 MET A 38 -13.182 12.946 -6.781 1.00 0.00 H new ATOM 605 N ILE A 39 -14.550 7.248 -4.838 1.00 0.00 N ATOM 606 CA ILE A 39 -15.657 6.893 -5.706 1.00 0.00 C ATOM 607 C ILE A 39 -16.959 7.437 -5.143 1.00 0.00 C ATOM 608 O ILE A 39 -17.511 6.892 -4.184 1.00 0.00 O ATOM 609 CB ILE A 39 -15.791 5.364 -5.881 1.00 0.00 C ATOM 610 CG1 ILE A 39 -14.436 4.728 -6.206 1.00 0.00 C ATOM 611 CG2 ILE A 39 -16.800 5.039 -6.980 1.00 0.00 C ATOM 612 CD1 ILE A 39 -13.835 5.186 -7.516 1.00 0.00 C ATOM 0 H ILE A 39 -14.607 6.859 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.451 7.334 -6.681 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.148 4.948 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.738 4.955 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.552 3.645 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.882 3.958 -7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.773 5.452 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.466 5.475 -7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.877 4.689 -7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.510 4.935 -8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.683 6.265 -7.489 1.00 0.00 H new ATOM 710 N PRO A 47 -21.135 6.639 -0.948 1.00 0.00 N ATOM 711 CA PRO A 47 -19.799 6.893 -1.492 1.00 0.00 C ATOM 712 C PRO A 47 -18.725 6.109 -0.744 1.00 0.00 C ATOM 713 O PRO A 47 -18.824 5.901 0.467 1.00 0.00 O ATOM 714 CB PRO A 47 -19.593 8.402 -1.281 1.00 0.00 C ATOM 715 CG PRO A 47 -20.903 8.927 -0.787 1.00 0.00 C ATOM 716 CD PRO A 47 -21.598 7.767 -0.137 1.00 0.00 C ATOM 0 HA PRO A 47 -19.722 6.586 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.799 8.591 -0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.301 8.891 -2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.754 9.740 -0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.497 9.327 -1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.317 7.658 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.682 7.873 -0.167 1.00 0.00 H new ATOM 724 N TYR A 48 -17.693 5.689 -1.463 1.00 0.00 N ATOM 725 CA TYR A 48 -16.641 4.872 -0.874 1.00 0.00 C ATOM 726 C TYR A 48 -15.275 5.215 -1.458 1.00 0.00 C ATOM 727 O TYR A 48 -15.173 5.832 -2.517 1.00 0.00 O ATOM 728 CB TYR A 48 -16.953 3.380 -1.062 1.00 0.00 C ATOM 729 CG TYR A 48 -17.432 3.013 -2.450 1.00 0.00 C ATOM 730 CD1 TYR A 48 -18.784 3.050 -2.763 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.541 2.628 -3.441 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.234 2.717 -4.023 1.00 0.00 C ATOM 733 CE2 TYR A 48 -16.984 2.293 -4.707 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.333 2.338 -4.991 1.00 0.00 C ATOM 735 OH TYR A 48 -18.781 2.011 -6.251 1.00 0.00 O ATOM 0 H TYR A 48 -17.562 5.900 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.606 5.090 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.057 2.802 -0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -17.713 3.086 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.496 3.345 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.485 2.589 -3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.289 2.754 -4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.278 1.998 -5.469 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.019 1.767 -6.816 1.00 0.00 H new ATOM 745 N CYS A 49 -14.230 4.821 -0.746 1.00 0.00 N ATOM 746 CA CYS A 49 -12.861 5.114 -1.144 1.00 0.00 C ATOM 747 C CYS A 49 -12.048 3.826 -1.243 1.00 0.00 C ATOM 748 O CYS A 49 -12.187 2.927 -0.408 1.00 0.00 O ATOM 749 CB CYS A 49 -12.223 6.076 -0.133 1.00 0.00 C ATOM 750 SG CYS A 49 -10.488 6.476 -0.458 1.00 0.00 S ATOM 0 H CYS A 49 -14.306 4.290 0.122 1.00 0.00 H new ATOM 0 HA CYS A 49 -12.870 5.587 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.799 7.002 -0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.300 5.639 0.862 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.267 6.439 -1.738 1.00 0.00 H new ATOM 756 N PHE A 50 -11.218 3.731 -2.274 1.00 0.00 N ATOM 757 CA PHE A 50 -10.348 2.580 -2.452 1.00 0.00 C ATOM 758 C PHE A 50 -8.923 2.935 -2.060 1.00 0.00 C ATOM 759 O PHE A 50 -8.270 3.741 -2.725 1.00 0.00 O ATOM 760 CB PHE A 50 -10.380 2.091 -3.900 1.00 0.00 C ATOM 761 CG PHE A 50 -11.607 1.297 -4.241 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.674 1.889 -4.896 1.00 0.00 C ATOM 763 CD2 PHE A 50 -11.690 -0.045 -3.909 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.801 1.155 -5.215 1.00 0.00 C ATOM 765 CE2 PHE A 50 -12.813 -0.784 -4.223 1.00 0.00 C ATOM 766 CZ PHE A 50 -13.871 -0.184 -4.878 1.00 0.00 C ATOM 0 H PHE A 50 -11.130 4.441 -3.001 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.709 1.778 -1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.318 2.951 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.498 1.479 -4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.625 2.935 -5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.865 -0.520 -3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.626 1.627 -5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.864 -1.829 -3.957 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.751 -0.759 -5.126 1.00 0.00 H new ATOM 776 N VAL A 51 -8.447 2.347 -0.976 1.00 0.00 N ATOM 777 CA VAL A 51 -7.097 2.616 -0.512 1.00 0.00 C ATOM 778 C VAL A 51 -6.192 1.402 -0.710 1.00 0.00 C ATOM 779 O VAL A 51 -6.434 0.322 -0.167 1.00 0.00 O ATOM 780 CB VAL A 51 -7.065 3.076 0.965 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.630 4.483 1.096 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.834 2.114 1.857 1.00 0.00 C ATOM 0 H VAL A 51 -8.971 1.685 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.717 3.437 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.025 3.082 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.600 4.791 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.034 5.172 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.661 4.495 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.794 2.463 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.873 2.066 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.387 1.122 1.792 1.00 0.00 H new ATOM 792 N GLU A 52 -5.169 1.594 -1.526 1.00 0.00 N ATOM 793 CA GLU A 52 -4.167 0.575 -1.791 1.00 0.00 C ATOM 794 C GLU A 52 -2.951 0.795 -0.909 1.00 0.00 C ATOM 795 O GLU A 52 -2.509 1.930 -0.729 1.00 0.00 O ATOM 796 CB GLU A 52 -3.745 0.632 -3.262 1.00 0.00 C ATOM 797 CG GLU A 52 -4.665 -0.127 -4.199 1.00 0.00 C ATOM 798 CD GLU A 52 -4.302 -1.597 -4.286 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.391 -2.299 -3.261 1.00 0.00 O ATOM 800 OE2 GLU A 52 -3.915 -2.056 -5.383 1.00 0.00 O ATOM 0 H GLU A 52 -5.009 2.468 -2.027 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.596 -0.403 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.703 1.675 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.736 0.230 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.695 -0.028 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.617 0.318 -5.193 1.00 0.00 H new ATOM 807 N PHE A 53 -2.410 -0.276 -0.365 1.00 0.00 N ATOM 808 CA PHE A 53 -1.196 -0.190 0.432 1.00 0.00 C ATOM 809 C PHE A 53 -0.064 -0.931 -0.257 1.00 0.00 C ATOM 810 O PHE A 53 -0.287 -1.664 -1.218 1.00 0.00 O ATOM 811 CB PHE A 53 -1.412 -0.773 1.831 1.00 0.00 C ATOM 812 CG PHE A 53 -2.217 0.106 2.738 1.00 0.00 C ATOM 813 CD1 PHE A 53 -1.583 0.943 3.642 1.00 0.00 C ATOM 814 CD2 PHE A 53 -3.598 0.095 2.693 1.00 0.00 C ATOM 815 CE1 PHE A 53 -2.314 1.753 4.485 1.00 0.00 C ATOM 816 CE2 PHE A 53 -4.336 0.904 3.533 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.692 1.733 4.430 1.00 0.00 C ATOM 0 H PHE A 53 -2.789 -1.218 -0.458 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.935 0.864 0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.912 -1.737 1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.441 -0.960 2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.504 0.961 3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.105 -0.553 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.809 2.401 5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.415 0.889 3.489 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.268 2.366 5.089 1.00 0.00 H new ATOM 827 N HIS A 54 1.154 -0.728 0.216 1.00 0.00 N ATOM 828 CA HIS A 54 2.284 -1.496 -0.283 1.00 0.00 C ATOM 829 C HIS A 54 2.389 -2.804 0.492 1.00 0.00 C ATOM 830 O HIS A 54 2.675 -3.858 -0.074 1.00 0.00 O ATOM 831 CB HIS A 54 3.592 -0.699 -0.179 1.00 0.00 C ATOM 832 CG HIS A 54 3.696 0.438 -1.159 1.00 0.00 C ATOM 833 ND1 HIS A 54 4.091 0.267 -2.470 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.462 1.764 -1.013 1.00 0.00 C ATOM 835 CE1 HIS A 54 4.097 1.435 -3.083 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.717 2.357 -2.224 1.00 0.00 N ATOM 0 H HIS A 54 1.385 -0.045 0.938 1.00 0.00 H new ATOM 0 HA HIS A 54 2.119 -1.713 -1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.685 -0.303 0.832 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.432 -1.377 -0.334 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.136 2.262 -0.112 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.368 1.606 -4.114 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.627 3.353 -2.426 1.00 0.00 H new ATOM 845 N GLU A 55 2.106 -2.724 1.786 1.00 0.00 N ATOM 846 CA GLU A 55 2.178 -3.878 2.669 1.00 0.00 C ATOM 847 C GLU A 55 0.781 -4.388 3.003 1.00 0.00 C ATOM 848 O GLU A 55 -0.120 -3.607 3.309 1.00 0.00 O ATOM 849 CB GLU A 55 2.894 -3.500 3.963 1.00 0.00 C ATOM 850 CG GLU A 55 4.298 -2.964 3.756 1.00 0.00 C ATOM 851 CD GLU A 55 4.922 -2.516 5.049 1.00 0.00 C ATOM 852 OE1 GLU A 55 5.644 -3.317 5.675 1.00 0.00 O ATOM 853 OE2 GLU A 55 4.660 -1.373 5.465 1.00 0.00 O ATOM 0 H GLU A 55 1.822 -1.861 2.250 1.00 0.00 H new ATOM 0 HA GLU A 55 2.732 -4.665 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.303 -2.749 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.942 -4.376 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.918 -3.736 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.268 -2.127 3.058 1.00 0.00 H new ATOM 860 N HIS A 56 0.615 -5.703 2.958 1.00 0.00 N ATOM 861 CA HIS A 56 -0.667 -6.330 3.249 1.00 0.00 C ATOM 862 C HIS A 56 -0.925 -6.356 4.754 1.00 0.00 C ATOM 863 O HIS A 56 -2.070 -6.302 5.194 1.00 0.00 O ATOM 864 CB HIS A 56 -0.691 -7.757 2.684 1.00 0.00 C ATOM 865 CG HIS A 56 -2.010 -8.459 2.821 1.00 0.00 C ATOM 866 ND1 HIS A 56 -2.878 -8.642 1.769 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.602 -9.027 3.895 1.00 0.00 C ATOM 868 CE1 HIS A 56 -3.948 -9.287 2.189 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.809 -9.543 3.479 1.00 0.00 N ATOM 0 H HIS A 56 1.358 -6.360 2.721 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.455 -5.745 2.776 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.421 -7.721 1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.074 -8.347 3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.201 -9.069 4.897 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.797 -9.561 1.581 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.481 -10.038 4.065 1.00 0.00 H new ATOM 878 N ARG A 57 0.142 -6.440 5.535 1.00 0.00 N ATOM 879 CA ARG A 57 0.016 -6.535 6.987 1.00 0.00 C ATOM 880 C ARG A 57 -0.522 -5.242 7.591 1.00 0.00 C ATOM 881 O ARG A 57 -1.367 -5.268 8.485 1.00 0.00 O ATOM 882 CB ARG A 57 1.361 -6.870 7.622 1.00 0.00 C ATOM 883 CG ARG A 57 1.917 -8.225 7.226 1.00 0.00 C ATOM 884 CD ARG A 57 3.295 -8.436 7.822 1.00 0.00 C ATOM 885 NE ARG A 57 3.861 -9.731 7.467 1.00 0.00 N ATOM 886 CZ ARG A 57 5.150 -10.038 7.581 1.00 0.00 C ATOM 887 NH1 ARG A 57 6.022 -9.124 7.991 1.00 0.00 N ATOM 888 NH2 ARG A 57 5.568 -11.253 7.267 1.00 0.00 N ATOM 0 H ARG A 57 1.103 -6.445 5.192 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.694 -7.335 7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.082 -6.100 7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.256 -6.836 8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.244 -9.013 7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.970 -8.298 6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.961 -7.645 7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.235 -8.354 8.907 1.00 0.00 H new ATOM 0 HE ARG A 57 3.229 -10.447 7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.704 -8.182 8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.010 -9.364 8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.902 -11.952 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.556 -11.491 7.354 1.00 0.00 H new ATOM 902 N HIS A 58 -0.051 -4.105 7.083 1.00 0.00 N ATOM 903 CA HIS A 58 -0.451 -2.812 7.627 1.00 0.00 C ATOM 904 C HIS A 58 -1.885 -2.501 7.238 1.00 0.00 C ATOM 905 O HIS A 58 -2.543 -1.667 7.854 1.00 0.00 O ATOM 906 CB HIS A 58 0.489 -1.694 7.157 1.00 0.00 C ATOM 907 CG HIS A 58 1.724 -1.562 7.993 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.998 -1.549 7.470 1.00 0.00 N ATOM 909 CD2 HIS A 58 1.874 -1.413 9.331 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.872 -1.403 8.443 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.219 -1.317 9.584 1.00 0.00 N ATOM 0 H HIS A 58 0.603 -4.054 6.302 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.384 -2.867 8.714 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.778 -1.884 6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.051 -0.747 7.168 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.229 -1.639 6.480 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.081 -1.377 10.063 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.945 -1.361 8.326 1.00 0.00 H new ATOM 920 N ALA A 59 -2.361 -3.199 6.221 1.00 0.00 N ATOM 921 CA ALA A 59 -3.739 -3.078 5.781 1.00 0.00 C ATOM 922 C ALA A 59 -4.685 -3.600 6.859 1.00 0.00 C ATOM 923 O ALA A 59 -5.776 -3.072 7.060 1.00 0.00 O ATOM 924 CB ALA A 59 -3.925 -3.845 4.483 1.00 0.00 C ATOM 0 H ALA A 59 -1.806 -3.862 5.680 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.973 -2.028 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.960 -3.755 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.263 -3.435 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.686 -4.896 4.644 1.00 0.00 H new ATOM 930 N ALA A 60 -4.235 -4.631 7.568 1.00 0.00 N ATOM 931 CA ALA A 60 -5.015 -5.234 8.640 1.00 0.00 C ATOM 932 C ALA A 60 -5.079 -4.312 9.850 1.00 0.00 C ATOM 933 O ALA A 60 -6.124 -4.169 10.486 1.00 0.00 O ATOM 934 CB ALA A 60 -4.412 -6.570 9.032 1.00 0.00 C ATOM 0 H ALA A 60 -3.326 -5.068 7.416 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.031 -5.393 8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.001 -7.014 9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.413 -7.237 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.388 -6.421 9.374 1.00 0.00 H new ATOM 940 N ALA A 61 -3.951 -3.689 10.162 1.00 0.00 N ATOM 941 CA ALA A 61 -3.876 -2.762 11.282 1.00 0.00 C ATOM 942 C ALA A 61 -4.720 -1.523 11.007 1.00 0.00 C ATOM 943 O ALA A 61 -5.369 -0.987 11.905 1.00 0.00 O ATOM 944 CB ALA A 61 -2.431 -2.378 11.553 1.00 0.00 C ATOM 0 H ALA A 61 -3.074 -3.809 9.654 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.274 -3.255 12.169 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.390 -1.684 12.393 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.856 -3.272 11.793 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.009 -1.901 10.668 1.00 0.00 H new ATOM 950 N ALA A 62 -4.712 -1.084 9.752 1.00 0.00 N ATOM 951 CA ALA A 62 -5.506 0.063 9.335 1.00 0.00 C ATOM 952 C ALA A 62 -6.988 -0.255 9.434 1.00 0.00 C ATOM 953 O ALA A 62 -7.792 0.590 9.824 1.00 0.00 O ATOM 954 CB ALA A 62 -5.148 0.471 7.913 1.00 0.00 C ATOM 0 H ALA A 62 -4.162 -1.508 9.005 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.283 0.896 10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.751 1.330 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.092 0.736 7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.344 -0.360 7.236 1.00 0.00 H new ATOM 960 N LEU A 63 -7.331 -1.490 9.088 1.00 0.00 N ATOM 961 CA LEU A 63 -8.702 -1.968 9.158 1.00 0.00 C ATOM 962 C LEU A 63 -9.272 -1.753 10.559 1.00 0.00 C ATOM 963 O LEU A 63 -10.223 -0.993 10.749 1.00 0.00 O ATOM 964 CB LEU A 63 -8.743 -3.462 8.816 1.00 0.00 C ATOM 965 CG LEU A 63 -10.132 -4.045 8.548 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.482 -3.930 7.076 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.203 -5.491 9.006 1.00 0.00 C ATOM 0 H LEU A 63 -6.666 -2.186 8.752 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.304 -1.408 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.122 -3.631 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.289 -4.016 9.638 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.862 -3.471 9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.473 -4.350 6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.476 -2.881 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.749 -4.477 6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.199 -5.887 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.463 -6.081 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.999 -5.544 10.075 1.00 0.00 H new ATOM 979 N ALA A 64 -8.642 -2.392 11.539 1.00 0.00 N ATOM 980 CA ALA A 64 -9.149 -2.418 12.909 1.00 0.00 C ATOM 981 C ALA A 64 -9.092 -1.050 13.588 1.00 0.00 C ATOM 982 O ALA A 64 -9.829 -0.795 14.542 1.00 0.00 O ATOM 983 CB ALA A 64 -8.374 -3.437 13.729 1.00 0.00 C ATOM 0 H ALA A 64 -7.770 -2.905 11.409 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.200 -2.703 12.855 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.758 -3.451 14.749 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.490 -4.426 13.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.318 -3.166 13.742 1.00 0.00 H new ATOM 989 N ALA A 65 -8.225 -0.176 13.099 1.00 0.00 N ATOM 990 CA ALA A 65 -8.023 1.123 13.729 1.00 0.00 C ATOM 991 C ALA A 65 -8.936 2.191 13.141 1.00 0.00 C ATOM 992 O ALA A 65 -9.110 3.261 13.724 1.00 0.00 O ATOM 993 CB ALA A 65 -6.574 1.551 13.587 1.00 0.00 C ATOM 0 H ALA A 65 -7.652 -0.340 12.272 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.274 1.016 14.784 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.433 2.523 14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.929 0.816 14.068 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.318 1.622 12.530 1.00 0.00 H new ATOM 999 N MET A 66 -9.518 1.903 11.990 1.00 0.00 N ATOM 1000 CA MET A 66 -10.303 2.901 11.280 1.00 0.00 C ATOM 1001 C MET A 66 -11.780 2.519 11.238 1.00 0.00 C ATOM 1002 O MET A 66 -12.644 3.385 11.327 1.00 0.00 O ATOM 1003 CB MET A 66 -9.744 3.080 9.863 1.00 0.00 C ATOM 1004 CG MET A 66 -10.071 4.421 9.217 1.00 0.00 C ATOM 1005 SD MET A 66 -11.771 4.545 8.630 1.00 0.00 S ATOM 1006 CE MET A 66 -11.769 6.185 7.908 1.00 0.00 C ATOM 0 H MET A 66 -9.464 0.995 11.529 1.00 0.00 H new ATOM 0 HA MET A 66 -10.229 3.848 11.815 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.661 2.962 9.896 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.132 2.282 9.230 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.886 5.217 9.938 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.393 4.586 8.379 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.756 6.405 7.502 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.520 6.919 8.674 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.030 6.230 7.108 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.078 1.227 11.127 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.472 0.797 10.984 1.00 0.00 C ATOM 1018 C ASN A 67 -14.257 0.990 12.279 1.00 0.00 C ATOM 1019 O ASN A 67 -13.710 0.901 13.382 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.588 -0.658 10.481 1.00 0.00 C ATOM 1021 CG ASN A 67 -13.049 -1.729 11.424 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -13.025 -1.574 12.643 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -12.626 -2.846 10.850 1.00 0.00 N ATOM 0 H ASN A 67 -11.392 0.472 11.133 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.916 1.439 10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -14.638 -0.871 10.281 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.060 -0.738 9.531 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.267 -3.610 11.423 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.660 -2.942 9.835 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.543 1.298 12.130 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.409 1.487 13.281 1.00 0.00 C ATOM 1032 C GLY A 68 -16.167 2.813 13.969 1.00 0.00 C ATOM 1033 O GLY A 68 -16.681 3.068 15.057 1.00 0.00 O ATOM 0 H GLY A 68 -16.002 1.421 11.228 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.450 1.430 12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.248 0.676 13.992 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.380 3.655 13.326 1.00 0.00 N ATOM 1038 CA ARG A 69 -15.010 4.940 13.887 1.00 0.00 C ATOM 1039 C ARG A 69 -15.958 6.016 13.369 1.00 0.00 C ATOM 1040 O ARG A 69 -16.236 6.082 12.174 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.566 5.257 13.499 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.926 6.390 14.276 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.478 6.560 13.862 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.767 7.532 14.689 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.481 7.423 15.016 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.779 6.361 14.635 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -8.901 8.365 15.744 1.00 0.00 N ATOM 0 H ARG A 69 -14.981 3.469 12.406 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.085 4.910 14.974 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.964 4.358 13.635 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.537 5.503 12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.473 7.316 14.099 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.984 6.185 15.345 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.971 5.597 13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.437 6.876 12.820 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.285 8.340 15.035 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.225 5.624 14.089 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.794 6.283 14.888 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.439 9.174 16.054 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.916 8.282 15.995 1.00 0.00 H new ATOM 1061 N LYS A 70 -16.471 6.842 14.263 1.00 0.00 N ATOM 1062 CA LYS A 70 -17.389 7.892 13.859 1.00 0.00 C ATOM 1063 C LYS A 70 -16.621 9.170 13.563 1.00 0.00 C ATOM 1064 O LYS A 70 -15.957 9.724 14.440 1.00 0.00 O ATOM 1065 CB LYS A 70 -18.443 8.148 14.936 1.00 0.00 C ATOM 1066 CG LYS A 70 -19.590 9.019 14.455 1.00 0.00 C ATOM 1067 CD LYS A 70 -20.560 9.328 15.581 1.00 0.00 C ATOM 1068 CE LYS A 70 -21.770 10.091 15.070 1.00 0.00 C ATOM 1069 NZ LYS A 70 -22.699 10.463 16.168 1.00 0.00 N ATOM 0 H LYS A 70 -16.271 6.808 15.263 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.903 7.565 12.955 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -18.840 7.193 15.281 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.968 8.624 15.794 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.196 9.950 14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.118 8.514 13.646 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.884 8.399 16.050 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -20.055 9.914 16.349 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.439 10.993 14.555 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.300 9.482 14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.510 10.982 15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.036 9.602 16.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.202 11.066 16.854 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.703 9.625 12.323 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.963 10.801 11.889 1.00 0.00 C ATOM 1085 C ILE A 71 -16.903 11.813 11.248 1.00 0.00 C ATOM 1086 O ILE A 71 -17.662 11.465 10.340 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.851 10.429 10.878 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.894 9.399 11.488 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -14.087 11.674 10.443 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.829 8.909 10.528 1.00 0.00 C ATOM 0 H ILE A 71 -17.277 9.197 11.596 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.499 11.238 12.773 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.319 9.987 9.999 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.409 9.839 12.360 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.472 8.545 11.842 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.309 11.394 9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.774 12.376 9.971 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.630 12.144 11.314 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.191 8.183 11.032 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.304 8.438 9.667 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.225 9.752 10.193 1.00 0.00 H new ATOM 1102 N MET A 72 -16.866 13.049 11.756 1.00 0.00 N ATOM 1103 CA MET A 72 -17.668 14.169 11.239 1.00 0.00 C ATOM 1104 C MET A 72 -19.139 14.017 11.615 1.00 0.00 C ATOM 1105 O MET A 72 -19.757 14.945 12.141 1.00 0.00 O ATOM 1106 CB MET A 72 -17.520 14.314 9.716 1.00 0.00 C ATOM 1107 CG MET A 72 -16.100 14.620 9.265 1.00 0.00 C ATOM 1108 SD MET A 72 -15.443 16.131 9.999 1.00 0.00 S ATOM 1109 CE MET A 72 -13.834 16.214 9.216 1.00 0.00 C ATOM 0 H MET A 72 -16.273 13.305 12.546 1.00 0.00 H new ATOM 0 HA MET A 72 -17.286 15.077 11.705 1.00 0.00 H new ATOM 0 HB2 MET A 72 -17.853 13.392 9.238 1.00 0.00 H new ATOM 0 HB3 MET A 72 -18.181 15.109 9.370 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.452 13.783 9.527 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.080 14.711 8.179 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.177 16.858 9.801 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.405 15.214 9.159 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.939 16.621 8.210 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.687 12.849 11.341 1.00 0.00 N ATOM 1120 CA GLY A 73 -21.060 12.552 11.683 1.00 0.00 C ATOM 1121 C GLY A 73 -21.539 11.294 10.995 1.00 0.00 C ATOM 1122 O GLY A 73 -22.733 11.121 10.754 1.00 0.00 O ATOM 0 H GLY A 73 -19.195 12.085 10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -21.151 12.435 12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.697 13.389 11.398 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.603 10.408 10.686 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.912 9.197 9.947 1.00 0.00 C ATOM 1128 C LYS A 74 -20.086 8.033 10.480 1.00 0.00 C ATOM 1129 O LYS A 74 -18.912 8.202 10.824 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.613 9.417 8.461 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.109 8.307 7.552 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.627 8.284 7.474 1.00 0.00 C ATOM 1133 CE LYS A 74 -23.115 7.227 6.497 1.00 0.00 C ATOM 1134 NZ LYS A 74 -24.598 7.219 6.370 1.00 0.00 N ATOM 0 H LYS A 74 -19.620 10.508 10.938 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.969 8.959 10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -21.066 10.357 8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.536 9.523 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.695 8.442 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.748 7.346 7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -23.041 8.087 8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.992 9.264 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.669 7.406 5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.775 6.245 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.885 6.483 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -25.025 7.022 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.922 8.147 6.030 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.711 6.867 10.576 1.00 0.00 N ATOM 1149 CA GLU A 75 -20.019 5.657 10.982 1.00 0.00 C ATOM 1150 C GLU A 75 -19.335 5.046 9.765 1.00 0.00 C ATOM 1151 O GLU A 75 -20.006 4.551 8.860 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.995 4.640 11.590 1.00 0.00 C ATOM 1153 CG GLU A 75 -22.139 5.259 12.380 1.00 0.00 C ATOM 1154 CD GLU A 75 -23.379 5.499 11.533 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -24.451 4.952 11.871 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -23.289 6.221 10.517 1.00 0.00 O ATOM 0 H GLU A 75 -21.703 6.736 10.376 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.280 5.913 11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.412 4.031 10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -20.439 3.969 12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -22.395 4.604 13.213 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.808 6.205 12.808 1.00 0.00 H new ATOM 1163 N VAL A 76 -18.012 5.098 9.740 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.247 4.649 8.580 1.00 0.00 C ATOM 1165 C VAL A 76 -17.180 3.128 8.496 1.00 0.00 C ATOM 1166 O VAL A 76 -17.386 2.421 9.487 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.810 5.194 8.614 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.805 6.711 8.713 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.044 4.568 9.766 1.00 0.00 C ATOM 0 H VAL A 76 -17.442 5.447 10.510 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.770 5.035 7.705 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.313 4.925 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.776 7.071 8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.319 7.134 7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.317 7.018 9.625 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.027 4.960 9.782 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.541 4.808 10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.014 3.486 9.638 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.868 2.633 7.309 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.745 1.203 7.078 1.00 0.00 C ATOM 1181 C LYS A 77 -15.414 0.891 6.425 1.00 0.00 C ATOM 1182 O LYS A 77 -15.026 1.548 5.470 1.00 0.00 O ATOM 1183 CB LYS A 77 -17.877 0.725 6.173 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.253 0.997 6.739 1.00 0.00 C ATOM 1185 CD LYS A 77 -19.846 -0.233 7.397 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.282 0.007 7.835 1.00 0.00 C ATOM 1187 NZ LYS A 77 -21.921 -1.241 8.331 1.00 0.00 N ATOM 0 H LYS A 77 -16.694 3.207 6.484 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.803 0.688 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.788 1.214 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.768 -0.346 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.193 1.805 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.913 1.336 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.812 -1.071 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.243 -0.511 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.302 0.763 8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.857 0.402 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.899 -1.039 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.925 -1.954 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.387 -1.604 9.146 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.721 -0.106 6.943 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.475 -0.554 6.347 1.00 0.00 C ATOM 1203 C VAL A 78 -13.525 -2.061 6.153 1.00 0.00 C ATOM 1204 O VAL A 78 -13.419 -2.826 7.112 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.242 -0.187 7.203 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -10.957 -0.485 6.444 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.286 1.273 7.620 1.00 0.00 C ATOM 0 H VAL A 78 -15.000 -0.622 7.777 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.369 -0.044 5.389 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.262 -0.799 8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.099 -0.220 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.916 -1.547 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.934 0.098 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.407 1.506 8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.296 1.905 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.186 1.457 8.206 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.728 -2.475 4.917 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.805 -3.890 4.579 1.00 0.00 C ATOM 1219 C ASN A 79 -12.687 -4.242 3.609 1.00 0.00 C ATOM 1220 O ASN A 79 -11.925 -3.371 3.195 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.171 -4.219 3.957 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.335 -4.039 4.921 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -17.422 -3.614 4.526 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.131 -4.391 6.183 1.00 0.00 N ATOM 0 H ASN A 79 -13.844 -1.848 4.121 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.691 -4.480 5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.328 -3.582 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.161 -5.249 3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.888 -4.314 6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.217 -4.739 6.474 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.584 -5.510 3.247 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.543 -5.952 2.331 1.00 0.00 C ATOM 1233 C TRP A 80 -12.022 -5.871 0.887 1.00 0.00 C ATOM 1234 O TRP A 80 -12.952 -6.577 0.486 1.00 0.00 O ATOM 1235 CB TRP A 80 -11.101 -7.378 2.665 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.412 -7.487 3.994 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -10.986 -7.801 5.193 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -9.018 -7.280 4.256 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -10.037 -7.790 6.185 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -8.820 -7.478 5.636 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -7.915 -6.943 3.460 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -7.567 -7.353 6.232 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -6.675 -6.822 4.054 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -6.509 -7.026 5.430 1.00 0.00 C ATOM 0 H TRP A 80 -13.206 -6.250 3.572 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.687 -5.287 2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.973 -8.032 2.660 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.430 -7.736 1.884 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -12.032 -8.025 5.339 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -10.210 -7.983 7.172 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.033 -6.781 2.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -7.436 -7.509 7.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -5.819 -6.566 3.448 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -5.526 -6.923 5.866 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.379 -5.006 0.111 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.732 -4.818 -1.286 1.00 0.00 C ATOM 1257 C ALA A 81 -10.966 -5.800 -2.154 1.00 0.00 C ATOM 1258 O ALA A 81 -9.789 -5.598 -2.448 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.453 -3.387 -1.722 1.00 0.00 C ATOM 0 H ALA A 81 -10.606 -4.422 0.431 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.799 -5.006 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.724 -3.267 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.042 -2.700 -1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.393 -3.168 -1.594 1.00 0.00 H new