USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 126 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.7) USER MOD Single : A 132 MET CE :methyl -146:sc= -0.812 (180deg=-2.36!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc=-0.00338 X(o=-0.0034,f=-0.25) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -12.578 6.080 -12.063 1.00 0.00 N ATOM 2 CA ASN A 126 -11.239 6.265 -11.443 1.00 0.00 C ATOM 3 C ASN A 126 -10.819 5.028 -10.657 1.00 0.00 C ATOM 4 O ASN A 126 -11.166 4.875 -9.487 1.00 0.00 O ATOM 5 CB ASN A 126 -11.294 7.483 -10.519 1.00 0.00 C ATOM 6 CG ASN A 126 -9.916 7.967 -10.117 1.00 0.00 C ATOM 7 OD1 ASN A 126 -8.903 7.370 -10.484 1.00 0.00 O ATOM 8 ND2 ASN A 126 -9.869 9.053 -9.354 1.00 0.00 N ATOM 0 HA ASN A 126 -10.500 6.421 -12.229 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.828 8.291 -11.019 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.863 7.231 -9.624 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -8.969 9.423 -9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -10.733 9.517 -9.073 1.00 0.00 H new ATOM 17 N ARG A 127 -10.068 4.145 -11.310 1.00 0.00 N ATOM 18 CA ARG A 127 -9.601 2.920 -10.671 1.00 0.00 C ATOM 19 C ARG A 127 -8.151 2.630 -11.047 1.00 0.00 C ATOM 20 O ARG A 127 -7.879 1.793 -11.909 1.00 0.00 O ATOM 21 CB ARG A 127 -10.489 1.740 -11.069 1.00 0.00 C ATOM 22 CG ARG A 127 -11.927 1.874 -10.594 1.00 0.00 C ATOM 23 CD ARG A 127 -12.257 0.855 -9.514 1.00 0.00 C ATOM 24 NE ARG A 127 -13.505 1.173 -8.825 1.00 0.00 N ATOM 25 CZ ARG A 127 -14.710 1.038 -9.374 1.00 0.00 C ATOM 26 NH1 ARG A 127 -14.835 0.593 -10.618 1.00 0.00 N ATOM 27 NH2 ARG A 127 -15.795 1.347 -8.676 1.00 0.00 N ATOM 0 H ARG A 127 -9.771 4.255 -12.279 1.00 0.00 H new ATOM 0 HA ARG A 127 -9.658 3.059 -9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -10.481 1.640 -12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -10.064 0.823 -10.661 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -12.091 2.880 -10.208 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -12.604 1.742 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -12.332 -0.136 -9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -11.443 0.817 -8.790 1.00 0.00 H new ATOM 0 HE ARG A 127 -13.450 1.519 -7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -14.005 0.352 -11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -15.761 0.492 -11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -15.706 1.688 -7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -16.719 1.244 -9.097 1.00 0.00 H new ATOM 41 N ARG A 128 -7.225 3.326 -10.396 1.00 0.00 N ATOM 42 CA ARG A 128 -5.803 3.143 -10.664 1.00 0.00 C ATOM 43 C ARG A 128 -5.061 2.722 -9.402 1.00 0.00 C ATOM 44 O ARG A 128 -4.559 1.602 -9.308 1.00 0.00 O ATOM 45 CB ARG A 128 -5.197 4.433 -11.221 1.00 0.00 C ATOM 46 CG ARG A 128 -4.043 4.195 -12.183 1.00 0.00 C ATOM 47 CD ARG A 128 -4.344 4.743 -13.568 1.00 0.00 C ATOM 48 NE ARG A 128 -3.593 4.045 -14.608 1.00 0.00 N ATOM 49 CZ ARG A 128 -3.390 4.532 -15.830 1.00 0.00 C ATOM 50 NH1 ARG A 128 -3.880 5.717 -16.169 1.00 0.00 N ATOM 51 NH2 ARG A 128 -2.694 3.832 -16.716 1.00 0.00 N ATOM 0 H ARG A 128 -7.433 4.021 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.698 2.351 -11.406 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.975 4.999 -11.733 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -4.848 5.048 -10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.141 4.667 -11.793 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -3.840 3.126 -12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -5.411 4.653 -13.769 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.103 5.806 -13.598 1.00 0.00 H new ATOM 0 HE ARG A 128 -3.201 3.130 -14.385 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -4.416 6.260 -15.492 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.721 6.085 -17.107 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.314 2.920 -16.461 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -2.539 4.205 -17.652 1.00 0.00 H new ATOM 65 N VAL A 129 -4.996 3.627 -8.437 1.00 0.00 N ATOM 66 CA VAL A 129 -4.315 3.355 -7.177 1.00 0.00 C ATOM 67 C VAL A 129 -5.172 3.770 -5.985 1.00 0.00 C ATOM 68 O VAL A 129 -5.747 4.857 -5.965 1.00 0.00 O ATOM 69 CB VAL A 129 -2.952 4.084 -7.103 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.414 4.097 -5.677 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.949 3.438 -8.050 1.00 0.00 C ATOM 0 H VAL A 129 -5.407 4.558 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.144 2.279 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.104 5.118 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.455 4.615 -5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.121 4.612 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.281 3.073 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.996 3.964 -7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.807 2.394 -7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.325 3.494 -9.072 1.00 0.00 H new ATOM 81 N ILE A 130 -5.241 2.895 -4.988 1.00 0.00 N ATOM 82 CA ILE A 130 -6.011 3.163 -3.782 1.00 0.00 C ATOM 83 C ILE A 130 -5.169 2.900 -2.543 1.00 0.00 C ATOM 84 O ILE A 130 -4.756 1.769 -2.289 1.00 0.00 O ATOM 85 CB ILE A 130 -7.288 2.305 -3.725 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.089 2.479 -5.013 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.136 2.684 -2.518 1.00 0.00 C ATOM 88 CD1 ILE A 130 -9.146 1.416 -5.218 1.00 0.00 C ATOM 0 H ILE A 130 -4.770 1.990 -4.993 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.302 4.213 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.001 1.258 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -8.568 3.458 -5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.404 2.467 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.034 2.066 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.562 2.523 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.420 3.734 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -9.675 1.604 -6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -8.672 0.435 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -9.854 1.442 -4.389 1.00 0.00 H new ATOM 100 N ALA A 131 -4.909 3.953 -1.781 1.00 0.00 N ATOM 101 CA ALA A 131 -4.104 3.837 -0.571 1.00 0.00 C ATOM 102 C ALA A 131 -4.297 5.042 0.342 1.00 0.00 C ATOM 103 O ALA A 131 -4.667 6.125 -0.111 1.00 0.00 O ATOM 104 CB ALA A 131 -2.635 3.681 -0.930 1.00 0.00 C ATOM 0 H ALA A 131 -5.243 4.897 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.436 2.950 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.045 3.595 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.501 2.784 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.304 4.552 -1.496 1.00 0.00 H new ATOM 110 N MET A 132 -4.040 4.844 1.630 1.00 0.00 N ATOM 111 CA MET A 132 -4.179 5.912 2.611 1.00 0.00 C ATOM 112 C MET A 132 -3.097 6.971 2.414 1.00 0.00 C ATOM 113 O MET A 132 -2.027 6.685 1.877 1.00 0.00 O ATOM 114 CB MET A 132 -4.103 5.340 4.028 1.00 0.00 C ATOM 115 CG MET A 132 -5.459 5.187 4.695 1.00 0.00 C ATOM 116 SD MET A 132 -5.356 5.203 6.495 1.00 0.00 S ATOM 117 CE MET A 132 -5.727 3.493 6.872 1.00 0.00 C ATOM 0 H MET A 132 -3.734 3.952 2.019 1.00 0.00 H new ATOM 0 HA MET A 132 -5.152 6.383 2.470 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.613 4.367 3.992 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.477 5.990 4.640 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.114 5.993 4.366 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.916 4.252 4.370 1.00 0.00 H new ATOM 0 HE1 MET A 132 -6.278 3.439 7.811 1.00 0.00 H new ATOM 0 HE2 MET A 132 -6.331 3.067 6.071 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.798 2.931 6.964 1.00 0.00 H new ATOM 127 N PRO A 133 -3.363 8.215 2.849 1.00 0.00 N ATOM 128 CA PRO A 133 -2.405 9.318 2.716 1.00 0.00 C ATOM 129 C PRO A 133 -1.042 8.977 3.309 1.00 0.00 C ATOM 130 O PRO A 133 -0.017 9.501 2.875 1.00 0.00 O ATOM 131 CB PRO A 133 -3.059 10.457 3.503 1.00 0.00 C ATOM 132 CG PRO A 133 -4.515 10.143 3.488 1.00 0.00 C ATOM 133 CD PRO A 133 -4.614 8.642 3.500 1.00 0.00 C ATOM 0 HA PRO A 133 -2.209 9.561 1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.675 10.505 4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.858 11.423 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.016 10.574 4.354 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.995 10.559 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.693 8.252 4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.491 8.292 2.955 1.00 0.00 H new ATOM 141 N SER A 134 -1.039 8.097 4.306 1.00 0.00 N ATOM 142 CA SER A 134 0.198 7.688 4.961 1.00 0.00 C ATOM 143 C SER A 134 0.798 6.457 4.288 1.00 0.00 C ATOM 144 O SER A 134 2.018 6.293 4.250 1.00 0.00 O ATOM 145 CB SER A 134 -0.057 7.400 6.441 1.00 0.00 C ATOM 146 OG SER A 134 -1.050 6.402 6.603 1.00 0.00 O ATOM 0 H SER A 134 -1.879 7.654 4.677 1.00 0.00 H new ATOM 0 HA SER A 134 0.911 8.508 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.869 7.077 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.371 8.315 6.944 1.00 0.00 H new ATOM 0 HG SER A 134 -1.193 6.235 7.558 1.00 0.00 H new ATOM 152 N VAL A 135 -0.064 5.592 3.762 1.00 0.00 N ATOM 153 CA VAL A 135 0.389 4.375 3.098 1.00 0.00 C ATOM 154 C VAL A 135 1.114 4.687 1.803 1.00 0.00 C ATOM 155 O VAL A 135 2.201 4.170 1.552 1.00 0.00 O ATOM 156 CB VAL A 135 -0.782 3.429 2.790 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.288 2.174 2.084 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.515 3.076 4.069 1.00 0.00 C ATOM 0 H VAL A 135 -1.077 5.711 3.783 1.00 0.00 H new ATOM 0 HA VAL A 135 1.075 3.885 3.789 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.477 3.938 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.133 1.518 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.197 2.450 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.426 1.654 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.343 2.405 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.829 2.583 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.901 3.985 4.530 1.00 0.00 H new ATOM 168 N ARG A 136 0.512 5.532 0.983 1.00 0.00 N ATOM 169 CA ARG A 136 1.115 5.903 -0.287 1.00 0.00 C ATOM 170 C ARG A 136 2.523 6.435 -0.055 1.00 0.00 C ATOM 171 O ARG A 136 3.400 6.293 -0.903 1.00 0.00 O ATOM 172 CB ARG A 136 0.265 6.958 -0.995 1.00 0.00 C ATOM 173 CG ARG A 136 -1.167 6.515 -1.250 1.00 0.00 C ATOM 174 CD ARG A 136 -2.113 7.703 -1.320 1.00 0.00 C ATOM 175 NE ARG A 136 -3.093 7.561 -2.395 1.00 0.00 N ATOM 176 CZ ARG A 136 -4.107 8.400 -2.589 1.00 0.00 C ATOM 177 NH1 ARG A 136 -4.280 9.441 -1.784 1.00 0.00 N ATOM 178 NH2 ARG A 136 -4.952 8.198 -3.590 1.00 0.00 N ATOM 0 H ARG A 136 -0.389 5.972 1.172 1.00 0.00 H new ATOM 0 HA ARG A 136 1.167 5.018 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.254 7.867 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.733 7.211 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.215 5.955 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.487 5.840 -0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.633 7.809 -0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.537 8.616 -1.473 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.994 6.772 -3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.634 9.601 -1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.059 10.081 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -4.825 7.399 -4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.729 8.841 -3.739 1.00 0.00 H new ATOM 192 N LYS A 137 2.731 7.027 1.117 1.00 0.00 N ATOM 193 CA LYS A 137 4.031 7.560 1.488 1.00 0.00 C ATOM 194 C LYS A 137 4.957 6.433 1.913 1.00 0.00 C ATOM 195 O LYS A 137 6.141 6.417 1.574 1.00 0.00 O ATOM 196 CB LYS A 137 3.888 8.577 2.622 1.00 0.00 C ATOM 197 CG LYS A 137 5.209 9.188 3.062 1.00 0.00 C ATOM 198 CD LYS A 137 5.766 10.129 2.007 1.00 0.00 C ATOM 199 CE LYS A 137 7.275 9.992 1.878 1.00 0.00 C ATOM 200 NZ LYS A 137 7.897 11.213 1.295 1.00 0.00 N ATOM 0 H LYS A 137 2.009 7.149 1.828 1.00 0.00 H new ATOM 0 HA LYS A 137 4.460 8.063 0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.217 9.374 2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.419 8.091 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.067 9.731 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.930 8.395 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.297 9.918 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.514 11.157 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.707 9.798 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.509 9.131 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.926 11.078 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.504 11.384 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.696 12.030 1.906 1.00 0.00 H new ATOM 214 N TYR A 138 4.403 5.489 2.670 1.00 0.00 N ATOM 215 CA TYR A 138 5.173 4.357 3.158 1.00 0.00 C ATOM 216 C TYR A 138 5.630 3.473 2.004 1.00 0.00 C ATOM 217 O TYR A 138 6.807 3.127 1.906 1.00 0.00 O ATOM 218 CB TYR A 138 4.327 3.546 4.130 1.00 0.00 C ATOM 219 CG TYR A 138 5.021 2.299 4.619 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.207 2.377 5.337 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.497 1.046 4.348 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.850 1.235 5.772 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.132 -0.098 4.778 1.00 0.00 C ATOM 224 CZ TYR A 138 6.308 -0.002 5.490 1.00 0.00 C ATOM 225 OH TYR A 138 6.945 -1.143 5.920 1.00 0.00 O ATOM 0 H TYR A 138 3.424 5.489 2.956 1.00 0.00 H new ATOM 0 HA TYR A 138 6.058 4.733 3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.068 4.170 4.985 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.392 3.268 3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.633 3.345 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.576 0.965 3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.772 1.310 6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.710 -1.067 4.558 1.00 0.00 H new ATOM 0 HH TYR A 138 6.432 -1.929 5.640 1.00 0.00 H new ATOM 235 N ALA A 139 4.705 3.140 1.111 1.00 0.00 N ATOM 236 CA ALA A 139 5.037 2.335 -0.051 1.00 0.00 C ATOM 237 C ALA A 139 5.982 3.124 -0.932 1.00 0.00 C ATOM 238 O ALA A 139 7.003 2.621 -1.385 1.00 0.00 O ATOM 239 CB ALA A 139 3.785 1.953 -0.825 1.00 0.00 C ATOM 0 H ALA A 139 3.725 3.415 1.172 1.00 0.00 H new ATOM 0 HA ALA A 139 5.516 1.412 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.062 1.351 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.120 1.378 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.275 2.856 -1.160 1.00 0.00 H new ATOM 245 N ARG A 140 5.640 4.385 -1.146 1.00 0.00 N ATOM 246 CA ARG A 140 6.462 5.270 -1.953 1.00 0.00 C ATOM 247 C ARG A 140 7.893 5.298 -1.419 1.00 0.00 C ATOM 248 O ARG A 140 8.848 5.456 -2.180 1.00 0.00 O ATOM 249 CB ARG A 140 5.866 6.679 -1.943 1.00 0.00 C ATOM 250 CG ARG A 140 6.704 7.708 -2.683 1.00 0.00 C ATOM 251 CD ARG A 140 5.918 8.354 -3.810 1.00 0.00 C ATOM 252 NE ARG A 140 6.147 9.794 -3.886 1.00 0.00 N ATOM 253 CZ ARG A 140 5.398 10.627 -4.604 1.00 0.00 C ATOM 254 NH1 ARG A 140 4.372 10.169 -5.310 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.676 11.925 -4.617 1.00 0.00 N ATOM 0 H ARG A 140 4.796 4.818 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 140 6.483 4.899 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.872 6.646 -2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.741 7.002 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.041 8.475 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.597 7.230 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.198 7.893 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 140 4.855 8.164 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 140 6.927 10.184 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.153 9.173 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 140 3.802 10.813 -5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.463 12.283 -4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 140 5.102 12.564 -5.167 1.00 0.00 H new ATOM 269 N GLU A 141 8.030 5.139 -0.105 1.00 0.00 N ATOM 270 CA GLU A 141 9.336 5.137 0.537 1.00 0.00 C ATOM 271 C GLU A 141 9.973 3.758 0.480 1.00 0.00 C ATOM 272 O GLU A 141 11.185 3.626 0.316 1.00 0.00 O ATOM 273 CB GLU A 141 9.202 5.588 1.991 1.00 0.00 C ATOM 274 CG GLU A 141 9.049 7.089 2.153 1.00 0.00 C ATOM 275 CD GLU A 141 10.369 7.786 2.418 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.276 7.142 2.987 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.496 8.976 2.058 1.00 0.00 O ATOM 0 H GLU A 141 7.247 5.010 0.536 1.00 0.00 H new ATOM 0 HA GLU A 141 9.980 5.832 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.339 5.094 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.080 5.259 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.598 7.504 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.363 7.294 2.975 1.00 0.00 H new ATOM 284 N LYS A 142 9.146 2.732 0.634 1.00 0.00 N ATOM 285 CA LYS A 142 9.617 1.356 0.621 1.00 0.00 C ATOM 286 C LYS A 142 9.743 0.808 -0.802 1.00 0.00 C ATOM 287 O LYS A 142 9.621 -0.398 -1.016 1.00 0.00 O ATOM 288 CB LYS A 142 8.647 0.489 1.425 1.00 0.00 C ATOM 289 CG LYS A 142 8.612 0.800 2.918 1.00 0.00 C ATOM 290 CD LYS A 142 9.987 1.150 3.467 1.00 0.00 C ATOM 291 CE LYS A 142 9.915 1.549 4.931 1.00 0.00 C ATOM 292 NZ LYS A 142 11.198 2.130 5.413 1.00 0.00 N ATOM 0 H LYS A 142 8.140 2.830 0.770 1.00 0.00 H new ATOM 0 HA LYS A 142 10.610 1.332 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.644 0.613 1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.918 -0.558 1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.929 1.630 3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.216 -0.061 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.654 0.295 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.415 1.967 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.113 2.274 5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.663 0.676 5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.107 2.389 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.959 1.429 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.426 2.978 4.856 1.00 0.00 H new ATOM 306 N GLY A 143 9.982 1.687 -1.776 1.00 0.00 N ATOM 307 CA GLY A 143 10.109 1.238 -3.156 1.00 0.00 C ATOM 308 C GLY A 143 8.908 0.419 -3.600 1.00 0.00 C ATOM 309 O GLY A 143 8.993 -0.381 -4.531 1.00 0.00 O ATOM 0 H GLY A 143 10.089 2.692 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.220 2.103 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.014 0.640 -3.261 1.00 0.00 H new ATOM 313 N VAL A 144 7.793 0.625 -2.913 1.00 0.00 N ATOM 314 CA VAL A 144 6.552 -0.078 -3.191 1.00 0.00 C ATOM 315 C VAL A 144 5.522 0.851 -3.816 1.00 0.00 C ATOM 316 O VAL A 144 5.349 1.989 -3.381 1.00 0.00 O ATOM 317 CB VAL A 144 5.953 -0.654 -1.895 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.670 -1.417 -2.180 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.962 -1.537 -1.182 1.00 0.00 C ATOM 0 H VAL A 144 7.725 1.290 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 144 6.789 -0.883 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 144 5.707 0.180 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.268 -1.813 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.941 -0.746 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.880 -2.240 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.518 -1.933 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.248 -2.362 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.845 -0.950 -0.930 1.00 0.00 H new ATOM 329 N ASP A 145 4.819 0.342 -4.812 1.00 0.00 N ATOM 330 CA ASP A 145 3.777 1.098 -5.475 1.00 0.00 C ATOM 331 C ASP A 145 2.451 0.400 -5.232 1.00 0.00 C ATOM 332 O ASP A 145 2.325 -0.798 -5.465 1.00 0.00 O ATOM 333 CB ASP A 145 4.058 1.216 -6.975 1.00 0.00 C ATOM 334 CG ASP A 145 3.214 2.286 -7.638 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.971 2.204 -7.546 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.796 3.208 -8.249 1.00 0.00 O ATOM 0 H ASP A 145 4.954 -0.600 -5.180 1.00 0.00 H new ATOM 0 HA ASP A 145 3.744 2.110 -5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.113 1.443 -7.128 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.866 0.256 -7.455 1.00 0.00 H new ATOM 341 N ILE A 146 1.474 1.142 -4.737 1.00 0.00 N ATOM 342 CA ILE A 146 0.166 0.572 -4.442 1.00 0.00 C ATOM 343 C ILE A 146 -0.351 -0.282 -5.602 1.00 0.00 C ATOM 344 O ILE A 146 -1.141 -1.204 -5.397 1.00 0.00 O ATOM 345 CB ILE A 146 -0.864 1.672 -4.120 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.342 2.594 -3.015 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.196 1.057 -3.711 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.114 1.888 -1.695 1.00 0.00 C ATOM 0 H ILE A 146 1.559 2.137 -4.531 1.00 0.00 H new ATOM 0 HA ILE A 146 0.292 -0.065 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.019 2.266 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.594 3.046 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.053 3.407 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.910 1.850 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.579 0.443 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.054 0.437 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.256 2.602 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.053 1.459 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.620 1.093 -1.829 1.00 0.00 H new ATOM 360 N ARG A 147 0.106 0.014 -6.816 1.00 0.00 N ATOM 361 CA ARG A 147 -0.323 -0.747 -7.987 1.00 0.00 C ATOM 362 C ARG A 147 0.120 -2.200 -7.869 1.00 0.00 C ATOM 363 O ARG A 147 -0.604 -3.118 -8.253 1.00 0.00 O ATOM 364 CB ARG A 147 0.221 -0.116 -9.273 1.00 0.00 C ATOM 365 CG ARG A 147 1.710 -0.323 -9.485 1.00 0.00 C ATOM 366 CD ARG A 147 2.270 0.680 -10.480 1.00 0.00 C ATOM 367 NE ARG A 147 3.729 0.640 -10.540 1.00 0.00 N ATOM 368 CZ ARG A 147 4.439 1.034 -11.595 1.00 0.00 C ATOM 369 NH1 ARG A 147 3.832 1.504 -12.679 1.00 0.00 N ATOM 370 NH2 ARG A 147 5.764 0.962 -11.568 1.00 0.00 N ATOM 0 H ARG A 147 0.766 0.766 -7.014 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.412 -0.723 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.317 -0.532 -10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.013 0.954 -9.256 1.00 0.00 H new ATOM 0 HG2 ARG A 147 2.232 -0.225 -8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.891 -1.336 -9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.861 0.475 -11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.947 1.683 -10.203 1.00 0.00 H new ATOM 0 HE ARG A 147 4.233 0.290 -9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.814 1.565 -12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 147 4.384 1.804 -13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 147 6.239 0.605 -10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 147 6.308 1.264 -12.376 1.00 0.00 H new ATOM 384 N LEU A 148 1.308 -2.395 -7.311 1.00 0.00 N ATOM 385 CA LEU A 148 1.858 -3.725 -7.105 1.00 0.00 C ATOM 386 C LEU A 148 1.312 -4.335 -5.817 1.00 0.00 C ATOM 387 O LEU A 148 1.515 -5.519 -5.546 1.00 0.00 O ATOM 388 CB LEU A 148 3.385 -3.665 -7.027 1.00 0.00 C ATOM 389 CG LEU A 148 4.041 -2.500 -7.772 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.526 -2.447 -7.472 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.804 -2.625 -9.269 1.00 0.00 C ATOM 0 H LEU A 148 1.913 -1.639 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 148 1.564 -4.347 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.675 -3.611 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.788 -4.598 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 148 3.587 -1.571 -7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.976 -1.613 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.676 -2.312 -6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.995 -3.379 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.277 -1.789 -9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.232 -3.561 -9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.733 -2.615 -9.470 1.00 0.00 H new ATOM 403 N VAL A 149 0.635 -3.515 -5.015 1.00 0.00 N ATOM 404 CA VAL A 149 0.085 -3.971 -3.746 1.00 0.00 C ATOM 405 C VAL A 149 -1.439 -3.942 -3.757 1.00 0.00 C ATOM 406 O VAL A 149 -2.051 -2.876 -3.824 1.00 0.00 O ATOM 407 CB VAL A 149 0.594 -3.102 -2.578 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.430 -3.832 -1.254 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.046 -2.694 -2.798 1.00 0.00 C ATOM 0 H VAL A 149 0.456 -2.533 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 149 0.420 -4.999 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.008 -2.194 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.795 -3.202 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.624 -4.058 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 149 1.001 -4.760 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.383 -2.082 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.668 -3.586 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.127 -2.122 -3.722 1.00 0.00 H new ATOM 419 N GLN A 150 -2.047 -5.120 -3.680 1.00 0.00 N ATOM 420 CA GLN A 150 -3.501 -5.232 -3.674 1.00 0.00 C ATOM 421 C GLN A 150 -4.058 -4.884 -2.298 1.00 0.00 C ATOM 422 O GLN A 150 -4.053 -5.713 -1.387 1.00 0.00 O ATOM 423 CB GLN A 150 -3.925 -6.647 -4.073 1.00 0.00 C ATOM 424 CG GLN A 150 -4.915 -6.681 -5.225 1.00 0.00 C ATOM 425 CD GLN A 150 -4.947 -8.025 -5.926 1.00 0.00 C ATOM 426 OE1 GLN A 150 -3.908 -8.562 -6.312 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.143 -8.575 -6.095 1.00 0.00 N ATOM 0 H GLN A 150 -1.555 -6.012 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.905 -4.526 -4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.039 -7.219 -4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.368 -7.142 -3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.911 -6.447 -4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.655 -5.905 -5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -6.977 -8.094 -5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.228 -9.478 -6.561 1.00 0.00 H new ATOM 436 N GLY A 151 -4.538 -3.652 -2.151 1.00 0.00 N ATOM 437 CA GLY A 151 -5.086 -3.221 -0.880 1.00 0.00 C ATOM 438 C GLY A 151 -6.478 -3.765 -0.632 1.00 0.00 C ATOM 439 O GLY A 151 -7.288 -3.859 -1.552 1.00 0.00 O ATOM 0 H GLY A 151 -4.557 -2.947 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.425 -3.543 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.115 -2.132 -0.852 1.00 0.00 H new ATOM 443 N THR A 152 -6.753 -4.126 0.617 1.00 0.00 N ATOM 444 CA THR A 152 -8.056 -4.664 0.992 1.00 0.00 C ATOM 445 C THR A 152 -8.746 -3.765 2.017 1.00 0.00 C ATOM 446 O THR A 152 -9.568 -4.230 2.807 1.00 0.00 O ATOM 447 CB THR A 152 -7.899 -6.077 1.556 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.591 -6.275 2.058 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.167 -7.161 0.534 1.00 0.00 C ATOM 0 H THR A 152 -6.089 -4.056 1.388 1.00 0.00 H new ATOM 0 HA THR A 152 -8.678 -4.702 0.098 1.00 0.00 H new ATOM 0 HB THR A 152 -8.642 -6.155 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.512 -7.184 2.416 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.039 -8.139 0.998 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.188 -7.067 0.163 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.468 -7.059 -0.296 1.00 0.00 H new ATOM 457 N GLY A 153 -8.399 -2.482 2.008 1.00 0.00 N ATOM 458 CA GLY A 153 -8.989 -1.549 2.951 1.00 0.00 C ATOM 459 C GLY A 153 -10.223 -0.853 2.408 1.00 0.00 C ATOM 460 O GLY A 153 -10.161 -0.161 1.393 1.00 0.00 O ATOM 0 H GLY A 153 -7.721 -2.072 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.253 -2.083 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.247 -0.799 3.223 1.00 0.00 H new ATOM 464 N LYS A 154 -11.346 -1.030 3.097 1.00 0.00 N ATOM 465 CA LYS A 154 -12.604 -0.410 2.693 1.00 0.00 C ATOM 466 C LYS A 154 -13.033 -0.871 1.299 1.00 0.00 C ATOM 467 O LYS A 154 -13.799 -1.825 1.162 1.00 0.00 O ATOM 468 CB LYS A 154 -12.479 1.117 2.736 1.00 0.00 C ATOM 469 CG LYS A 154 -13.124 1.747 3.960 1.00 0.00 C ATOM 470 CD LYS A 154 -14.307 2.623 3.581 1.00 0.00 C ATOM 471 CE LYS A 154 -13.888 3.759 2.662 1.00 0.00 C ATOM 472 NZ LYS A 154 -14.803 4.930 2.771 1.00 0.00 N ATOM 0 H LYS A 154 -11.411 -1.600 3.941 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.374 -0.724 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.423 1.387 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.935 1.536 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.455 0.963 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.385 2.344 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.067 2.017 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.762 3.032 4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -12.872 4.068 2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -13.873 3.405 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -14.482 5.682 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.768 4.642 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -14.798 5.285 3.749 1.00 0.00 H new ATOM 486 N ASN A 155 -12.544 -0.188 0.266 1.00 0.00 N ATOM 487 CA ASN A 155 -12.890 -0.531 -1.110 1.00 0.00 C ATOM 488 C ASN A 155 -11.671 -1.038 -1.875 1.00 0.00 C ATOM 489 O ASN A 155 -11.513 -0.760 -3.063 1.00 0.00 O ATOM 490 CB ASN A 155 -13.487 0.682 -1.825 1.00 0.00 C ATOM 491 CG ASN A 155 -14.562 1.367 -1.004 1.00 0.00 C ATOM 492 OD1 ASN A 155 -14.496 2.571 -0.753 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.561 0.602 -0.580 1.00 0.00 N ATOM 0 H ASN A 155 -11.908 0.605 0.356 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.631 -1.330 -1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.694 1.396 -2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.909 0.366 -2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.313 1.008 -0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -15.576 -0.391 -0.811 1.00 0.00 H new ATOM 500 N GLY A 156 -10.815 -1.785 -1.187 1.00 0.00 N ATOM 501 CA GLY A 156 -9.625 -2.319 -1.822 1.00 0.00 C ATOM 502 C GLY A 156 -8.432 -1.389 -1.703 1.00 0.00 C ATOM 503 O GLY A 156 -7.523 -1.426 -2.532 1.00 0.00 O ATOM 0 H GLY A 156 -10.924 -2.030 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.378 -3.280 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.832 -2.505 -2.876 1.00 0.00 H new ATOM 507 N ARG A 157 -8.435 -0.558 -0.667 1.00 0.00 N ATOM 508 CA ARG A 157 -7.347 0.386 -0.439 1.00 0.00 C ATOM 509 C ARG A 157 -6.174 -0.301 0.250 1.00 0.00 C ATOM 510 O ARG A 157 -6.364 -1.182 1.088 1.00 0.00 O ATOM 511 CB ARG A 157 -7.839 1.562 0.410 1.00 0.00 C ATOM 512 CG ARG A 157 -6.759 2.584 0.724 1.00 0.00 C ATOM 513 CD ARG A 157 -7.291 3.711 1.595 1.00 0.00 C ATOM 514 NE ARG A 157 -7.363 4.976 0.868 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.043 6.038 1.294 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.709 5.992 2.441 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.057 7.151 0.571 1.00 0.00 N ATOM 0 H ARG A 157 -9.180 -0.519 0.029 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.009 0.761 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.656 2.059 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.246 1.178 1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.929 2.093 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.366 2.996 -0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.282 3.448 1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.648 3.830 2.467 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.863 5.050 -0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.702 5.140 3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.228 6.809 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.547 7.193 -0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.578 7.965 0.898 1.00 0.00 H new ATOM 531 N VAL A 158 -4.961 0.102 -0.113 1.00 0.00 N ATOM 532 CA VAL A 158 -3.759 -0.482 0.467 1.00 0.00 C ATOM 533 C VAL A 158 -3.451 0.123 1.831 1.00 0.00 C ATOM 534 O VAL A 158 -3.463 1.341 2.005 1.00 0.00 O ATOM 535 CB VAL A 158 -2.532 -0.299 -0.456 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.237 -0.632 0.274 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.665 -1.160 -1.698 1.00 0.00 C ATOM 0 H VAL A 158 -4.785 0.830 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 158 -3.957 -1.547 0.583 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.496 0.749 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.393 -0.494 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.125 0.027 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.266 -1.668 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.792 -1.017 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.735 -2.208 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.564 -0.874 -2.245 1.00 0.00 H new ATOM 547 N LEU A 159 -3.156 -0.746 2.786 1.00 0.00 N ATOM 548 CA LEU A 159 -2.818 -0.322 4.135 1.00 0.00 C ATOM 549 C LEU A 159 -1.325 -0.507 4.373 1.00 0.00 C ATOM 550 O LEU A 159 -0.664 -1.237 3.638 1.00 0.00 O ATOM 551 CB LEU A 159 -3.614 -1.135 5.157 1.00 0.00 C ATOM 552 CG LEU A 159 -5.126 -0.880 5.164 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.750 -1.412 6.445 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.428 0.604 5.000 1.00 0.00 C ATOM 0 H LEU A 159 -3.144 -1.757 2.649 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.072 0.732 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.442 -2.194 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.222 -0.922 6.151 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.563 -1.411 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.823 -1.222 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.572 -2.485 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.303 -0.910 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.507 0.759 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.975 1.160 5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.018 0.956 4.053 1.00 0.00 H new ATOM 566 N LYS A 160 -0.789 0.140 5.400 1.00 0.00 N ATOM 567 CA LYS A 160 0.631 0.004 5.697 1.00 0.00 C ATOM 568 C LYS A 160 0.976 -1.466 5.892 1.00 0.00 C ATOM 569 O LYS A 160 2.069 -1.912 5.544 1.00 0.00 O ATOM 570 CB LYS A 160 1.012 0.809 6.940 1.00 0.00 C ATOM 571 CG LYS A 160 2.513 0.864 7.187 1.00 0.00 C ATOM 572 CD LYS A 160 2.870 0.369 8.580 1.00 0.00 C ATOM 573 CE LYS A 160 4.271 -0.222 8.620 1.00 0.00 C ATOM 574 NZ LYS A 160 5.016 0.198 9.839 1.00 0.00 N ATOM 0 H LYS A 160 -1.305 0.753 6.031 1.00 0.00 H new ATOM 0 HA LYS A 160 1.200 0.399 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.631 1.825 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.524 0.372 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.027 0.257 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.865 1.888 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.802 1.194 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.147 -0.383 8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.207 -1.310 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.822 0.089 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.966 -0.226 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 5.099 1.235 9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.504 -0.121 10.686 1.00 0.00 H new ATOM 588 N GLU A 161 0.019 -2.221 6.425 1.00 0.00 N ATOM 589 CA GLU A 161 0.207 -3.648 6.633 1.00 0.00 C ATOM 590 C GLU A 161 0.377 -4.331 5.284 1.00 0.00 C ATOM 591 O GLU A 161 1.167 -5.263 5.138 1.00 0.00 O ATOM 592 CB GLU A 161 -0.986 -4.246 7.381 1.00 0.00 C ATOM 593 CG GLU A 161 -1.265 -3.575 8.717 1.00 0.00 C ATOM 594 CD GLU A 161 -0.400 -4.124 9.835 1.00 0.00 C ATOM 595 OE1 GLU A 161 -0.522 -5.329 10.143 1.00 0.00 O ATOM 596 OE2 GLU A 161 0.398 -3.349 10.404 1.00 0.00 O ATOM 0 H GLU A 161 -0.891 -1.867 6.719 1.00 0.00 H new ATOM 0 HA GLU A 161 1.100 -3.806 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.874 -4.169 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.804 -5.308 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.095 -2.502 8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.315 -3.710 8.975 1.00 0.00 H new ATOM 603 N ASP A 162 -0.360 -3.834 4.293 1.00 0.00 N ATOM 604 CA ASP A 162 -0.285 -4.368 2.941 1.00 0.00 C ATOM 605 C ASP A 162 1.100 -4.108 2.361 1.00 0.00 C ATOM 606 O ASP A 162 1.754 -5.012 1.842 1.00 0.00 O ATOM 607 CB ASP A 162 -1.354 -3.724 2.058 1.00 0.00 C ATOM 608 CG ASP A 162 -2.692 -4.427 2.157 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.726 -5.667 2.001 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.707 -3.738 2.391 1.00 0.00 O ATOM 0 H ASP A 162 -1.016 -3.061 4.404 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.462 -5.443 2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.475 -2.679 2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.018 -3.734 1.021 1.00 0.00 H new ATOM 615 N ILE A 163 1.540 -2.858 2.472 1.00 0.00 N ATOM 616 CA ILE A 163 2.856 -2.451 1.980 1.00 0.00 C ATOM 617 C ILE A 163 3.943 -3.361 2.539 1.00 0.00 C ATOM 618 O ILE A 163 4.795 -3.855 1.801 1.00 0.00 O ATOM 619 CB ILE A 163 3.183 -0.999 2.391 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.049 -0.059 2.000 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.497 -0.543 1.762 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.762 -0.067 0.523 1.00 0.00 C ATOM 0 H ILE A 163 1.002 -2.104 2.900 1.00 0.00 H new ATOM 0 HA ILE A 163 2.828 -2.524 0.893 1.00 0.00 H new ATOM 0 HB ILE A 163 3.293 -0.970 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.146 -0.342 2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.302 0.955 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.709 0.483 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.305 -1.194 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.417 -0.592 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.945 0.622 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.653 0.244 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.480 -1.073 0.213 1.00 0.00 H new ATOM 634 N ASP A 164 3.906 -3.575 3.850 1.00 0.00 N ATOM 635 CA ASP A 164 4.886 -4.424 4.513 1.00 0.00 C ATOM 636 C ASP A 164 4.844 -5.842 3.952 1.00 0.00 C ATOM 637 O ASP A 164 5.878 -6.421 3.621 1.00 0.00 O ATOM 638 CB ASP A 164 4.632 -4.452 6.022 1.00 0.00 C ATOM 639 CG ASP A 164 5.908 -4.631 6.820 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.660 -5.585 6.531 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.156 -3.816 7.734 1.00 0.00 O ATOM 0 H ASP A 164 3.207 -3.171 4.474 1.00 0.00 H new ATOM 0 HA ASP A 164 5.876 -4.007 4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.146 -3.524 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.943 -5.264 6.257 1.00 0.00 H new ATOM 646 N ALA A 165 3.638 -6.394 3.845 1.00 0.00 N ATOM 647 CA ALA A 165 3.458 -7.743 3.320 1.00 0.00 C ATOM 648 C ALA A 165 3.997 -7.851 1.899 1.00 0.00 C ATOM 649 O ALA A 165 4.575 -8.868 1.517 1.00 0.00 O ATOM 650 CB ALA A 165 1.987 -8.132 3.361 1.00 0.00 C ATOM 0 H ALA A 165 2.772 -5.928 4.115 1.00 0.00 H new ATOM 0 HA ALA A 165 4.022 -8.432 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.866 -9.141 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.631 -8.100 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.409 -7.434 2.755 1.00 0.00 H new ATOM 656 N TRP A 166 3.811 -6.788 1.122 1.00 0.00 N ATOM 657 CA TRP A 166 4.281 -6.749 -0.252 1.00 0.00 C ATOM 658 C TRP A 166 5.791 -6.930 -0.305 1.00 0.00 C ATOM 659 O TRP A 166 6.301 -7.842 -0.957 1.00 0.00 O ATOM 660 CB TRP A 166 3.893 -5.414 -0.881 1.00 0.00 C ATOM 661 CG TRP A 166 4.139 -5.349 -2.354 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.310 -5.770 -3.351 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.300 -4.825 -2.992 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.892 -5.535 -4.575 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.116 -4.957 -4.378 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.477 -4.257 -2.519 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.072 -4.538 -5.298 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.427 -3.840 -3.430 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.221 -3.981 -4.807 1.00 0.00 C ATOM 0 H TRP A 166 3.335 -5.939 1.426 1.00 0.00 H new ATOM 0 HA TRP A 166 3.818 -7.563 -0.809 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.837 -5.226 -0.689 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.453 -4.616 -0.393 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.340 -6.221 -3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.479 -5.756 -5.481 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.645 -4.144 -1.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.913 -4.648 -6.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.345 -3.397 -3.074 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.983 -3.644 -5.494 1.00 0.00 H new ATOM 680 N LEU A 167 6.500 -6.052 0.395 1.00 0.00 N ATOM 681 CA LEU A 167 7.958 -6.101 0.444 1.00 0.00 C ATOM 682 C LEU A 167 8.442 -7.460 0.941 1.00 0.00 C ATOM 683 O LEU A 167 9.505 -7.935 0.542 1.00 0.00 O ATOM 684 CB LEU A 167 8.497 -4.992 1.351 1.00 0.00 C ATOM 685 CG LEU A 167 8.304 -3.572 0.814 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.688 -2.670 1.872 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.624 -2.996 0.321 1.00 0.00 C ATOM 0 H LEU A 167 6.087 -5.294 0.939 1.00 0.00 H new ATOM 0 HA LEU A 167 8.335 -5.949 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.009 -5.067 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.561 -5.162 1.515 1.00 0.00 H new ATOM 0 HG LEU A 167 7.617 -3.623 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.561 -1.667 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.717 -3.067 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.344 -2.629 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.462 -1.986 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.338 -2.966 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.019 -3.623 -0.479 1.00 0.00 H new ATOM 699 N ALA A 168 7.655 -8.079 1.814 1.00 0.00 N ATOM 700 CA ALA A 168 8.004 -9.384 2.366 1.00 0.00 C ATOM 701 C ALA A 168 7.314 -10.510 1.602 1.00 0.00 C ATOM 702 O ALA A 168 7.133 -11.608 2.128 1.00 0.00 O ATOM 703 CB ALA A 168 7.641 -9.446 3.841 1.00 0.00 C ATOM 0 H ALA A 168 6.772 -7.699 2.155 1.00 0.00 H new ATOM 0 HA ALA A 168 9.081 -9.518 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.907 -10.425 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 168 8.186 -8.673 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.570 -9.285 3.959 1.00 0.00 H new ATOM 709 N GLY A 169 6.929 -10.232 0.360 1.00 0.00 N ATOM 710 CA GLY A 169 6.263 -11.233 -0.453 1.00 0.00 C ATOM 711 C GLY A 169 7.067 -11.615 -1.681 1.00 0.00 C ATOM 712 O GLY A 169 6.950 -12.731 -2.185 1.00 0.00 O ATOM 0 H GLY A 169 7.067 -9.331 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 169 6.081 -12.123 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 169 5.289 -10.854 -0.764 1.00 0.00 H new ATOM 716 N GLY A 170 7.887 -10.686 -2.161 1.00 0.00 N ATOM 717 CA GLY A 170 8.701 -10.949 -3.334 1.00 0.00 C ATOM 718 C GLY A 170 8.971 -9.698 -4.147 1.00 0.00 C ATOM 719 O GLY A 170 9.336 -9.829 -5.333 1.00 0.00 O ATOM 720 OXT GLY A 170 8.816 -8.587 -3.596 1.00 0.00 O ATOM 0 H GLY A 170 8.003 -9.756 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 170 9.649 -11.388 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 170 8.200 -11.685 -3.962 1.00 0.00 H new TER 724 GLY A 170