USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=5 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 Set 1.1: A 154 LYS NZ :NH3+ -150:sc= -0.011 (180deg=0) USER MOD Set 1.2: A 155 ASN : amide:sc= 0 X(o=-0.011,f=0) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl 166:sc= -0.0818 (180deg=-0.281) 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= -0.125 X(o=-0.13,f=-0.01) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -9.878 0.363 -11.149 1.00 0.00 N ATOM 2 CA ASN A 126 -8.815 -0.415 -11.839 1.00 0.00 C ATOM 3 C ASN A 126 -8.011 0.470 -12.786 1.00 0.00 C ATOM 4 O ASN A 126 -7.636 0.047 -13.879 1.00 0.00 O ATOM 5 CB ASN A 126 -9.474 -1.557 -12.615 1.00 0.00 C ATOM 6 CG ASN A 126 -9.793 -2.748 -11.734 1.00 0.00 C ATOM 7 OD1 ASN A 126 -8.971 -3.649 -11.567 1.00 0.00 O ATOM 8 ND2 ASN A 126 -10.992 -2.758 -11.164 1.00 0.00 N ATOM 0 HA ASN A 126 -8.124 -0.814 -11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.392 -1.195 -13.078 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.813 -1.873 -13.422 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.263 -3.534 -10.560 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.642 -1.990 -11.330 1.00 0.00 H new ATOM 17 N ARG A 127 -7.751 1.702 -12.360 1.00 0.00 N ATOM 18 CA ARG A 127 -6.992 2.647 -13.170 1.00 0.00 C ATOM 19 C ARG A 127 -6.101 3.523 -12.296 1.00 0.00 C ATOM 20 O ARG A 127 -4.923 3.723 -12.593 1.00 0.00 O ATOM 21 CB ARG A 127 -7.939 3.523 -13.993 1.00 0.00 C ATOM 22 CG ARG A 127 -8.221 2.973 -15.382 1.00 0.00 C ATOM 23 CD ARG A 127 -9.655 3.245 -15.808 1.00 0.00 C ATOM 24 NE ARG A 127 -10.221 2.130 -16.566 1.00 0.00 N ATOM 25 CZ ARG A 127 -11.297 2.232 -17.343 1.00 0.00 C ATOM 26 NH1 ARG A 127 -11.927 3.395 -17.467 1.00 0.00 N ATOM 27 NH2 ARG A 127 -11.745 1.169 -17.997 1.00 0.00 N ATOM 0 H ARG A 127 -8.055 2.069 -11.458 1.00 0.00 H new ATOM 0 HA ARG A 127 -6.356 2.076 -13.847 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -8.881 3.630 -13.455 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.510 4.520 -14.086 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.535 3.424 -16.099 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.034 1.899 -15.394 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -10.267 3.431 -14.925 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -9.688 4.150 -16.415 1.00 0.00 H new ATOM 0 HE ARG A 127 -9.764 1.221 -16.495 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -11.587 4.215 -16.965 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -12.751 3.468 -18.064 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -11.265 0.274 -17.905 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -12.569 1.247 -18.592 1.00 0.00 H new ATOM 41 N ARG A 128 -6.674 4.042 -11.218 1.00 0.00 N ATOM 42 CA ARG A 128 -5.935 4.899 -10.297 1.00 0.00 C ATOM 43 C ARG A 128 -5.416 4.100 -9.107 1.00 0.00 C ATOM 44 O ARG A 128 -5.677 2.902 -8.989 1.00 0.00 O ATOM 45 CB ARG A 128 -6.825 6.043 -9.809 1.00 0.00 C ATOM 46 CG ARG A 128 -7.253 6.996 -10.915 1.00 0.00 C ATOM 47 CD ARG A 128 -6.753 8.409 -10.664 1.00 0.00 C ATOM 48 NE ARG A 128 -5.309 8.446 -10.443 1.00 0.00 N ATOM 49 CZ ARG A 128 -4.570 9.549 -10.550 1.00 0.00 C ATOM 50 NH1 ARG A 128 -5.135 10.705 -10.875 1.00 0.00 N ATOM 51 NH2 ARG A 128 -3.264 9.495 -10.332 1.00 0.00 N ATOM 0 H ARG A 128 -7.648 3.885 -10.959 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.081 5.314 -10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.714 5.625 -9.337 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -6.292 6.605 -9.042 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -6.870 6.639 -11.871 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -8.340 7.003 -10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -7.006 9.040 -11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -7.264 8.826 -9.796 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.839 7.576 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -6.140 10.752 -11.044 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -4.564 11.547 -10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.825 8.609 -10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -2.698 10.340 -10.414 1.00 0.00 H new ATOM 65 N VAL A 129 -4.680 4.770 -8.228 1.00 0.00 N ATOM 66 CA VAL A 129 -4.123 4.125 -7.046 1.00 0.00 C ATOM 67 C VAL A 129 -5.047 4.291 -5.845 1.00 0.00 C ATOM 68 O VAL A 129 -5.693 5.326 -5.682 1.00 0.00 O ATOM 69 CB VAL A 129 -2.730 4.694 -6.697 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.279 4.231 -5.318 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.711 4.300 -7.756 1.00 0.00 C ATOM 0 H VAL A 129 -4.455 5.761 -8.312 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.023 3.065 -7.280 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.805 5.781 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.295 4.646 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.993 4.572 -4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.226 3.142 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.736 4.710 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.645 3.213 -7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.021 4.694 -8.724 1.00 0.00 H new ATOM 81 N ILE A 130 -5.093 3.268 -4.999 1.00 0.00 N ATOM 82 CA ILE A 130 -5.924 3.303 -3.803 1.00 0.00 C ATOM 83 C ILE A 130 -5.118 2.901 -2.577 1.00 0.00 C ATOM 84 O ILE A 130 -4.707 1.750 -2.434 1.00 0.00 O ATOM 85 CB ILE A 130 -7.148 2.377 -3.937 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.889 2.684 -5.232 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.076 2.545 -2.743 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.445 1.834 -6.403 1.00 0.00 C ATOM 0 H ILE A 130 -4.564 2.404 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.276 4.328 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.806 1.342 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -8.957 2.538 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.745 3.735 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -8.935 1.884 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.540 2.293 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.418 3.579 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.016 2.109 -7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.384 1.998 -6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.615 0.782 -6.174 1.00 0.00 H new ATOM 100 N ALA A 131 -4.896 3.867 -1.697 1.00 0.00 N ATOM 101 CA ALA A 131 -4.135 3.635 -0.476 1.00 0.00 C ATOM 102 C ALA A 131 -4.235 4.831 0.464 1.00 0.00 C ATOM 103 O ALA A 131 -4.346 5.974 0.018 1.00 0.00 O ATOM 104 CB ALA A 131 -2.681 3.339 -0.810 1.00 0.00 C ATOM 0 H ALA A 131 -5.234 4.823 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.560 2.770 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.124 3.168 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.626 2.450 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.250 4.187 -1.342 1.00 0.00 H new ATOM 110 N MET A 132 -4.199 4.564 1.765 1.00 0.00 N ATOM 111 CA MET A 132 -4.286 5.622 2.766 1.00 0.00 C ATOM 112 C MET A 132 -3.218 6.689 2.529 1.00 0.00 C ATOM 113 O MET A 132 -2.133 6.393 2.031 1.00 0.00 O ATOM 114 CB MET A 132 -4.143 5.035 4.172 1.00 0.00 C ATOM 115 CG MET A 132 -5.454 4.962 4.935 1.00 0.00 C ATOM 116 SD MET A 132 -5.219 4.995 6.723 1.00 0.00 S ATOM 117 CE MET A 132 -4.852 3.272 7.048 1.00 0.00 C ATOM 0 H MET A 132 -4.110 3.624 2.151 1.00 0.00 H new ATOM 0 HA MET A 132 -5.265 6.094 2.677 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.719 4.034 4.097 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.435 5.639 4.739 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.089 5.798 4.640 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.981 4.049 4.658 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.442 3.171 8.053 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.766 2.684 6.968 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.124 2.912 6.321 1.00 0.00 H new ATOM 127 N PRO A 133 -3.518 7.952 2.884 1.00 0.00 N ATOM 128 CA PRO A 133 -2.582 9.067 2.708 1.00 0.00 C ATOM 129 C PRO A 133 -1.202 8.768 3.287 1.00 0.00 C ATOM 130 O PRO A 133 -0.197 9.321 2.840 1.00 0.00 O ATOM 131 CB PRO A 133 -3.245 10.212 3.475 1.00 0.00 C ATOM 132 CG PRO A 133 -4.699 9.891 3.451 1.00 0.00 C ATOM 133 CD PRO A 133 -4.792 8.390 3.485 1.00 0.00 C ATOM 0 HA PRO A 133 -2.406 9.285 1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.870 10.274 4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.044 11.174 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.210 10.333 4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.172 10.291 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.904 8.018 4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.649 8.028 2.917 1.00 0.00 H new ATOM 141 N SER A 134 -1.161 7.892 4.285 1.00 0.00 N ATOM 142 CA SER A 134 0.096 7.523 4.925 1.00 0.00 C ATOM 143 C SER A 134 0.738 6.329 4.226 1.00 0.00 C ATOM 144 O SER A 134 1.960 6.173 4.241 1.00 0.00 O ATOM 145 CB SER A 134 -0.138 7.199 6.402 1.00 0.00 C ATOM 146 OG SER A 134 1.091 7.002 7.082 1.00 0.00 O ATOM 0 H SER A 134 -1.983 7.425 4.668 1.00 0.00 H new ATOM 0 HA SER A 134 0.776 8.371 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.691 8.012 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.753 6.303 6.488 1.00 0.00 H new ATOM 0 HG SER A 134 0.915 6.798 8.024 1.00 0.00 H new ATOM 152 N VAL A 135 -0.091 5.486 3.619 1.00 0.00 N ATOM 153 CA VAL A 135 0.403 4.304 2.923 1.00 0.00 C ATOM 154 C VAL A 135 1.123 4.674 1.640 1.00 0.00 C ATOM 155 O VAL A 135 2.205 4.168 1.359 1.00 0.00 O ATOM 156 CB VAL A 135 -0.734 3.330 2.585 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.185 2.076 1.918 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.512 2.989 3.840 1.00 0.00 C ATOM 0 H VAL A 135 -1.104 5.599 3.595 1.00 0.00 H new ATOM 0 HA VAL A 135 1.102 3.818 3.603 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.413 3.808 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.006 1.398 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.331 2.350 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.514 1.582 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.317 2.297 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.845 2.524 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.934 3.900 4.265 1.00 0.00 H new ATOM 168 N ARG A 136 0.521 5.562 0.864 1.00 0.00 N ATOM 169 CA ARG A 136 1.125 5.991 -0.388 1.00 0.00 C ATOM 170 C ARG A 136 2.535 6.506 -0.129 1.00 0.00 C ATOM 171 O ARG A 136 3.428 6.360 -0.961 1.00 0.00 O ATOM 172 CB ARG A 136 0.282 7.085 -1.043 1.00 0.00 C ATOM 173 CG ARG A 136 -1.165 6.682 -1.271 1.00 0.00 C ATOM 174 CD ARG A 136 -2.080 7.893 -1.321 1.00 0.00 C ATOM 175 NE ARG A 136 -1.572 8.931 -2.217 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.855 9.980 -1.815 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.545 10.138 -0.533 1.00 0.00 N ATOM 178 NH2 ARG A 136 -0.444 10.876 -2.702 1.00 0.00 N ATOM 0 H ARG A 136 -0.377 5.996 1.076 1.00 0.00 H new ATOM 0 HA ARG A 136 1.171 5.138 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.308 7.976 -0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.731 7.354 -1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.246 6.125 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.488 6.014 -0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -3.072 7.584 -1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.192 8.304 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.779 8.847 -3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.856 9.452 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.004 10.945 -0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.677 10.761 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.105 11.680 -2.398 1.00 0.00 H new ATOM 192 N LYS A 137 2.723 7.090 1.050 1.00 0.00 N ATOM 193 CA LYS A 137 4.017 7.616 1.451 1.00 0.00 C ATOM 194 C LYS A 137 4.931 6.485 1.892 1.00 0.00 C ATOM 195 O LYS A 137 6.127 6.484 1.598 1.00 0.00 O ATOM 196 CB LYS A 137 3.849 8.628 2.586 1.00 0.00 C ATOM 197 CG LYS A 137 5.163 9.218 3.077 1.00 0.00 C ATOM 198 CD LYS A 137 5.329 9.042 4.579 1.00 0.00 C ATOM 199 CE LYS A 137 6.336 10.028 5.150 1.00 0.00 C ATOM 200 NZ LYS A 137 5.671 11.135 5.891 1.00 0.00 N ATOM 0 H LYS A 137 1.988 7.210 1.747 1.00 0.00 H new ATOM 0 HA LYS A 137 4.468 8.119 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.202 9.437 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.343 8.144 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.994 8.738 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.202 10.278 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.366 9.179 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.654 8.024 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.019 9.503 5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 137 6.937 10.443 4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 6.392 11.785 6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 5.038 11.652 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.118 10.742 6.679 1.00 0.00 H new ATOM 214 N TYR A 138 4.358 5.526 2.613 1.00 0.00 N ATOM 215 CA TYR A 138 5.121 4.392 3.109 1.00 0.00 C ATOM 216 C TYR A 138 5.624 3.525 1.962 1.00 0.00 C ATOM 217 O TYR A 138 6.803 3.185 1.905 1.00 0.00 O ATOM 218 CB TYR A 138 4.255 3.560 4.045 1.00 0.00 C ATOM 219 CG TYR A 138 4.953 2.317 4.539 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.112 2.403 5.298 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.463 1.060 4.227 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.762 1.265 5.734 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.103 -0.080 4.660 1.00 0.00 C ATOM 224 CZ TYR A 138 6.253 0.025 5.413 1.00 0.00 C ATOM 225 OH TYR A 138 6.896 -1.113 5.844 1.00 0.00 O ATOM 0 H TYR A 138 3.370 5.514 2.865 1.00 0.00 H new ATOM 0 HA TYR A 138 5.986 4.772 3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.962 4.170 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.339 3.275 3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.511 3.374 5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.564 0.972 3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.664 1.346 6.323 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.705 -1.053 4.411 1.00 0.00 H new ATOM 0 HH TYR A 138 6.407 -1.903 5.533 1.00 0.00 H new ATOM 235 N ALA A 139 4.735 3.193 1.033 1.00 0.00 N ATOM 236 CA ALA A 139 5.115 2.399 -0.122 1.00 0.00 C ATOM 237 C ALA A 139 6.062 3.210 -0.982 1.00 0.00 C ATOM 238 O ALA A 139 7.100 2.725 -1.421 1.00 0.00 O ATOM 239 CB ALA A 139 3.890 1.981 -0.923 1.00 0.00 C ATOM 0 H ALA A 139 3.751 3.461 1.059 1.00 0.00 H new ATOM 0 HA ALA A 139 5.612 1.489 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.202 1.388 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.229 1.387 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.361 2.869 -1.268 1.00 0.00 H new ATOM 245 N ARG A 140 5.704 4.471 -1.190 1.00 0.00 N ATOM 246 CA ARG A 140 6.528 5.379 -1.971 1.00 0.00 C ATOM 247 C ARG A 140 7.943 5.425 -1.398 1.00 0.00 C ATOM 248 O ARG A 140 8.917 5.602 -2.130 1.00 0.00 O ATOM 249 CB ARG A 140 5.906 6.780 -1.973 1.00 0.00 C ATOM 250 CG ARG A 140 6.756 7.832 -2.672 1.00 0.00 C ATOM 251 CD ARG A 140 6.487 7.857 -4.168 1.00 0.00 C ATOM 252 NE ARG A 140 7.515 8.597 -4.897 1.00 0.00 N ATOM 253 CZ ARG A 140 7.714 8.492 -6.208 1.00 0.00 C ATOM 254 NH1 ARG A 140 6.962 7.679 -6.939 1.00 0.00 N ATOM 255 NH2 ARG A 140 8.670 9.203 -6.792 1.00 0.00 N ATOM 0 H ARG A 140 4.846 4.887 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 140 6.580 5.019 -2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.931 6.733 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.734 7.092 -0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.546 8.813 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.812 7.626 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.440 6.835 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.513 8.311 -4.354 1.00 0.00 H new ATOM 0 HE ARG A 140 8.115 9.231 -4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 140 6.226 7.129 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 140 7.120 7.604 -7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 140 9.252 9.830 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 140 8.823 9.123 -7.797 1.00 0.00 H new ATOM 269 N GLU A 141 8.043 5.257 -0.081 1.00 0.00 N ATOM 270 CA GLU A 141 9.327 5.269 0.602 1.00 0.00 C ATOM 271 C GLU A 141 9.984 3.897 0.550 1.00 0.00 C ATOM 272 O GLU A 141 11.201 3.781 0.410 1.00 0.00 O ATOM 273 CB GLU A 141 9.141 5.700 2.055 1.00 0.00 C ATOM 274 CG GLU A 141 8.935 7.196 2.228 1.00 0.00 C ATOM 275 CD GLU A 141 10.178 7.998 1.894 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.217 7.785 2.554 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.112 8.840 0.973 1.00 0.00 O ATOM 0 H GLU A 141 7.243 5.110 0.534 1.00 0.00 H new ATOM 0 HA GLU A 141 9.977 5.981 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.283 5.173 2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.015 5.394 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.114 7.522 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.640 7.402 3.257 1.00 0.00 H new ATOM 284 N LYS A 142 9.165 2.860 0.677 1.00 0.00 N ATOM 285 CA LYS A 142 9.649 1.488 0.659 1.00 0.00 C ATOM 286 C LYS A 142 9.823 0.966 -0.767 1.00 0.00 C ATOM 287 O LYS A 142 9.779 -0.242 -0.999 1.00 0.00 O ATOM 288 CB LYS A 142 8.667 0.598 1.422 1.00 0.00 C ATOM 289 CG LYS A 142 8.594 0.875 2.920 1.00 0.00 C ATOM 290 CD LYS A 142 9.952 1.231 3.508 1.00 0.00 C ATOM 291 CE LYS A 142 9.845 1.578 4.983 1.00 0.00 C ATOM 292 NZ LYS A 142 11.178 1.847 5.589 1.00 0.00 N ATOM 0 H LYS A 142 8.155 2.946 0.794 1.00 0.00 H new ATOM 0 HA LYS A 142 10.628 1.466 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.673 0.725 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.949 -0.444 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.896 1.692 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.198 -0.003 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.637 0.393 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.375 2.075 2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.208 2.454 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.364 0.757 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.061 2.080 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.778 1.003 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.627 2.647 5.099 1.00 0.00 H new ATOM 306 N GLY A 143 10.017 1.873 -1.723 1.00 0.00 N ATOM 307 CA GLY A 143 10.189 1.462 -3.107 1.00 0.00 C ATOM 308 C GLY A 143 9.050 0.587 -3.599 1.00 0.00 C ATOM 309 O GLY A 143 9.203 -0.163 -4.564 1.00 0.00 O ATOM 0 H GLY A 143 10.058 2.880 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.262 2.347 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.129 0.920 -3.208 1.00 0.00 H new ATOM 313 N VAL A 144 7.907 0.684 -2.930 1.00 0.00 N ATOM 314 CA VAL A 144 6.731 -0.095 -3.287 1.00 0.00 C ATOM 315 C VAL A 144 5.647 0.797 -3.878 1.00 0.00 C ATOM 316 O VAL A 144 5.450 1.930 -3.436 1.00 0.00 O ATOM 317 CB VAL A 144 6.165 -0.837 -2.056 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.789 -1.422 -2.349 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.127 -1.924 -1.605 1.00 0.00 C ATOM 0 H VAL A 144 7.771 1.302 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 144 7.039 -0.827 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 144 6.053 -0.115 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.417 -1.938 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.102 -0.619 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.862 -2.128 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.714 -2.438 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.273 -2.639 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.084 -1.475 -1.340 1.00 0.00 H new ATOM 329 N ASP A 145 4.941 0.273 -4.869 1.00 0.00 N ATOM 330 CA ASP A 145 3.867 1.007 -5.516 1.00 0.00 C ATOM 331 C ASP A 145 2.538 0.304 -5.280 1.00 0.00 C ATOM 332 O ASP A 145 2.415 -0.901 -5.497 1.00 0.00 O ATOM 333 CB ASP A 145 4.137 1.140 -7.016 1.00 0.00 C ATOM 334 CG ASP A 145 3.236 2.166 -7.675 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.137 2.423 -7.141 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.631 2.715 -8.726 1.00 0.00 O ATOM 0 H ASP A 145 5.095 -0.663 -5.243 1.00 0.00 H new ATOM 0 HA ASP A 145 3.819 2.007 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.179 1.421 -7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.993 0.172 -7.496 1.00 0.00 H new ATOM 341 N ILE A 146 1.545 1.063 -4.835 1.00 0.00 N ATOM 342 CA ILE A 146 0.223 0.509 -4.569 1.00 0.00 C ATOM 343 C ILE A 146 -0.299 -0.279 -5.770 1.00 0.00 C ATOM 344 O ILE A 146 -1.165 -1.143 -5.627 1.00 0.00 O ATOM 345 CB ILE A 146 -0.788 1.617 -4.213 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.214 2.545 -3.140 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.102 1.012 -3.742 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.166 1.828 -1.863 1.00 0.00 C ATOM 0 H ILE A 146 1.629 2.063 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 146 0.328 -0.164 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.980 2.204 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.666 3.049 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.947 3.318 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.802 1.810 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.522 0.393 -4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.924 0.399 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.565 2.547 -1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.716 1.346 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.922 1.074 -2.080 1.00 0.00 H new ATOM 360 N ARG A 147 0.240 0.014 -6.952 1.00 0.00 N ATOM 361 CA ARG A 147 -0.173 -0.679 -8.167 1.00 0.00 C ATOM 362 C ARG A 147 0.191 -2.155 -8.086 1.00 0.00 C ATOM 363 O ARG A 147 -0.532 -3.014 -8.591 1.00 0.00 O ATOM 364 CB ARG A 147 0.487 -0.044 -9.393 1.00 0.00 C ATOM 365 CG ARG A 147 -0.332 1.078 -10.010 1.00 0.00 C ATOM 366 CD ARG A 147 0.236 1.509 -11.354 1.00 0.00 C ATOM 367 NE ARG A 147 -0.519 0.951 -12.472 1.00 0.00 N ATOM 368 CZ ARG A 147 -1.719 1.387 -12.848 1.00 0.00 C ATOM 369 NH1 ARG A 147 -2.303 2.386 -12.197 1.00 0.00 N ATOM 370 NH2 ARG A 147 -2.338 0.824 -13.877 1.00 0.00 N ATOM 0 H ARG A 147 0.960 0.723 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.255 -0.589 -8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.465 0.345 -9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.657 -0.815 -10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.363 0.749 -10.138 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.352 1.931 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.228 2.597 -11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.277 1.193 -11.426 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.102 0.181 -12.996 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.832 2.823 -11.405 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.223 2.717 -12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.894 0.056 -14.381 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -3.258 1.159 -14.164 1.00 0.00 H new ATOM 384 N LEU A 148 1.315 -2.439 -7.440 1.00 0.00 N ATOM 385 CA LEU A 148 1.783 -3.806 -7.276 1.00 0.00 C ATOM 386 C LEU A 148 1.189 -4.439 -6.019 1.00 0.00 C ATOM 387 O LEU A 148 1.456 -5.601 -5.714 1.00 0.00 O ATOM 388 CB LEU A 148 3.311 -3.838 -7.197 1.00 0.00 C ATOM 389 CG LEU A 148 4.022 -2.624 -7.794 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.520 -2.721 -7.570 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.707 -2.498 -9.278 1.00 0.00 C ATOM 0 H LEU A 148 1.921 -1.735 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 148 1.456 -4.380 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.602 -3.931 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.666 -4.733 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 148 3.658 -1.729 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.010 -1.848 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.726 -2.761 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.901 -3.624 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.222 -1.628 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.042 -3.395 -9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.632 -2.380 -9.413 1.00 0.00 H new ATOM 403 N VAL A 149 0.388 -3.666 -5.287 1.00 0.00 N ATOM 404 CA VAL A 149 -0.230 -4.153 -4.061 1.00 0.00 C ATOM 405 C VAL A 149 -1.747 -4.216 -4.193 1.00 0.00 C ATOM 406 O VAL A 149 -2.350 -3.439 -4.935 1.00 0.00 O ATOM 407 CB VAL A 149 0.125 -3.257 -2.857 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.138 -3.987 -1.551 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.575 -2.795 -2.935 1.00 0.00 C ATOM 0 H VAL A 149 0.154 -2.702 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 149 0.161 -5.156 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.513 -2.374 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.119 -3.338 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.192 -4.257 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.471 -4.890 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.803 -2.164 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.234 -3.663 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.727 -2.226 -3.852 1.00 0.00 H new ATOM 419 N GLN A 150 -2.358 -5.141 -3.461 1.00 0.00 N ATOM 420 CA GLN A 150 -3.806 -5.303 -3.486 1.00 0.00 C ATOM 421 C GLN A 150 -4.414 -4.890 -2.150 1.00 0.00 C ATOM 422 O GLN A 150 -4.441 -5.669 -1.197 1.00 0.00 O ATOM 423 CB GLN A 150 -4.173 -6.747 -3.813 1.00 0.00 C ATOM 424 CG GLN A 150 -3.712 -7.714 -2.753 1.00 0.00 C ATOM 425 CD GLN A 150 -3.280 -9.052 -3.319 1.00 0.00 C ATOM 426 OE1 GLN A 150 -3.820 -10.097 -2.957 1.00 0.00 O ATOM 427 NE2 GLN A 150 -2.299 -9.026 -4.215 1.00 0.00 N ATOM 0 H GLN A 150 -1.872 -5.790 -2.843 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.212 -4.656 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -5.254 -6.827 -3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -3.730 -7.023 -4.770 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -2.880 -7.273 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.519 -7.872 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -1.880 -8.137 -4.486 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -1.965 -9.895 -4.631 1.00 0.00 H new ATOM 436 N GLY A 151 -4.889 -3.653 -2.081 1.00 0.00 N ATOM 437 CA GLY A 151 -5.477 -3.153 -0.855 1.00 0.00 C ATOM 438 C GLY A 151 -6.782 -3.835 -0.505 1.00 0.00 C ATOM 439 O GLY A 151 -7.640 -4.031 -1.364 1.00 0.00 O ATOM 0 H GLY A 151 -4.877 -2.987 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.770 -3.291 -0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.648 -2.081 -0.951 1.00 0.00 H new ATOM 443 N THR A 152 -6.929 -4.198 0.766 1.00 0.00 N ATOM 444 CA THR A 152 -8.138 -4.862 1.243 1.00 0.00 C ATOM 445 C THR A 152 -8.841 -4.019 2.306 1.00 0.00 C ATOM 446 O THR A 152 -9.552 -4.550 3.158 1.00 0.00 O ATOM 447 CB THR A 152 -7.797 -6.242 1.810 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.435 -6.304 2.191 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.054 -7.370 0.835 1.00 0.00 C ATOM 0 H THR A 152 -6.223 -4.043 1.486 1.00 0.00 H new ATOM 0 HA THR A 152 -8.815 -4.982 0.397 1.00 0.00 H new ATOM 0 HB THR A 152 -8.454 -6.372 2.670 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.237 -7.193 2.553 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.791 -8.320 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.109 -7.380 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.447 -7.224 -0.059 1.00 0.00 H new ATOM 457 N GLY A 153 -8.632 -2.706 2.258 1.00 0.00 N ATOM 458 CA GLY A 153 -9.248 -1.822 3.233 1.00 0.00 C ATOM 459 C GLY A 153 -10.446 -1.070 2.682 1.00 0.00 C ATOM 460 O GLY A 153 -10.376 -0.474 1.610 1.00 0.00 O ATOM 0 H GLY A 153 -8.049 -2.239 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.560 -2.407 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.506 -1.105 3.584 1.00 0.00 H new ATOM 464 N LYS A 154 -11.545 -1.095 3.428 1.00 0.00 N ATOM 465 CA LYS A 154 -12.770 -0.407 3.024 1.00 0.00 C ATOM 466 C LYS A 154 -13.238 -0.867 1.642 1.00 0.00 C ATOM 467 O LYS A 154 -14.051 -1.783 1.529 1.00 0.00 O ATOM 468 CB LYS A 154 -12.553 1.109 3.037 1.00 0.00 C ATOM 469 CG LYS A 154 -13.124 1.795 4.268 1.00 0.00 C ATOM 470 CD LYS A 154 -14.635 1.932 4.179 1.00 0.00 C ATOM 471 CE LYS A 154 -15.042 3.020 3.197 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.998 2.514 2.173 1.00 0.00 N ATOM 0 H LYS A 154 -11.614 -1.586 4.319 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.551 -0.660 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.484 1.315 2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.009 1.541 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.861 1.224 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.674 2.782 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.069 0.981 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.039 2.162 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -15.497 3.848 3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.154 3.413 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.871 3.044 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.819 1.504 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -16.972 2.640 2.515 1.00 0.00 H new ATOM 486 N ASN A 155 -12.727 -0.225 0.592 1.00 0.00 N ATOM 487 CA ASN A 155 -13.104 -0.573 -0.774 1.00 0.00 C ATOM 488 C ASN A 155 -11.917 -1.149 -1.539 1.00 0.00 C ATOM 489 O ASN A 155 -11.831 -1.018 -2.760 1.00 0.00 O ATOM 490 CB ASN A 155 -13.649 0.659 -1.503 1.00 0.00 C ATOM 491 CG ASN A 155 -15.163 0.655 -1.593 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.732 0.784 -2.676 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.823 0.506 -0.450 1.00 0.00 N ATOM 0 H ASN A 155 -12.053 0.537 0.663 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.883 -1.334 -0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.321 1.560 -0.984 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.228 0.699 -2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.843 0.495 -0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -15.310 0.402 0.425 1.00 0.00 H new ATOM 500 N GLY A 156 -11.006 -1.789 -0.815 1.00 0.00 N ATOM 501 CA GLY A 156 -9.840 -2.378 -1.445 1.00 0.00 C ATOM 502 C GLY A 156 -8.619 -1.479 -1.374 1.00 0.00 C ATOM 503 O GLY A 156 -7.663 -1.660 -2.129 1.00 0.00 O ATOM 0 H GLY A 156 -11.054 -1.910 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.614 -3.330 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.067 -2.594 -2.489 1.00 0.00 H new ATOM 507 N ARG A 157 -8.650 -0.507 -0.468 1.00 0.00 N ATOM 508 CA ARG A 157 -7.539 0.424 -0.301 1.00 0.00 C ATOM 509 C ARG A 157 -6.353 -0.257 0.373 1.00 0.00 C ATOM 510 O ARG A 157 -6.524 -1.043 1.306 1.00 0.00 O ATOM 511 CB ARG A 157 -7.990 1.634 0.521 1.00 0.00 C ATOM 512 CG ARG A 157 -6.915 2.691 0.692 1.00 0.00 C ATOM 513 CD ARG A 157 -7.485 3.985 1.255 1.00 0.00 C ATOM 514 NE ARG A 157 -7.279 5.111 0.349 1.00 0.00 N ATOM 515 CZ ARG A 157 -7.971 6.247 0.408 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.914 6.410 1.327 1.00 0.00 N ATOM 517 NH2 ARG A 157 -7.719 7.221 -0.455 1.00 0.00 N ATOM 0 H ARG A 157 -9.434 -0.343 0.163 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.221 0.760 -1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.858 2.086 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.312 1.294 1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.138 2.316 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.443 2.889 -0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.552 3.860 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -7.016 4.201 2.215 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.563 5.022 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.112 5.663 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.441 7.282 1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -6.995 7.100 -1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.249 8.092 -0.410 1.00 0.00 H new ATOM 531 N VAL A 158 -5.151 0.043 -0.112 1.00 0.00 N ATOM 532 CA VAL A 158 -3.936 -0.548 0.438 1.00 0.00 C ATOM 533 C VAL A 158 -3.621 0.006 1.821 1.00 0.00 C ATOM 534 O VAL A 158 -3.732 1.207 2.067 1.00 0.00 O ATOM 535 CB VAL A 158 -2.719 -0.323 -0.491 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.409 -0.605 0.231 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.825 -1.197 -1.727 1.00 0.00 C ATOM 0 H VAL A 158 -4.993 0.691 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.124 -1.619 0.519 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.724 0.725 -0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.575 -0.437 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.316 0.060 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.397 -1.640 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.961 -1.026 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.854 -2.245 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.736 -0.949 -2.271 1.00 0.00 H new ATOM 547 N LEU A 159 -3.213 -0.887 2.712 1.00 0.00 N ATOM 548 CA LEU A 159 -2.857 -0.512 4.072 1.00 0.00 C ATOM 549 C LEU A 159 -1.354 -0.646 4.273 1.00 0.00 C ATOM 550 O LEU A 159 -0.680 -1.331 3.505 1.00 0.00 O ATOM 551 CB LEU A 159 -3.597 -1.404 5.072 1.00 0.00 C ATOM 552 CG LEU A 159 -5.120 -1.226 5.116 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.682 -1.765 6.422 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.505 0.237 4.934 1.00 0.00 C ATOM 0 H LEU A 159 -3.120 -1.883 2.514 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.147 0.525 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.377 -2.445 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.198 -1.212 6.068 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.550 -1.794 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.764 -1.630 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.447 -2.826 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.239 -1.226 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.590 0.335 4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.061 0.832 5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.140 0.592 3.970 1.00 0.00 H new ATOM 566 N LYS A 160 -0.823 -0.004 5.307 1.00 0.00 N ATOM 567 CA LYS A 160 0.605 -0.091 5.577 1.00 0.00 C ATOM 568 C LYS A 160 1.015 -1.551 5.711 1.00 0.00 C ATOM 569 O LYS A 160 2.123 -1.937 5.336 1.00 0.00 O ATOM 570 CB LYS A 160 0.974 0.681 6.844 1.00 0.00 C ATOM 571 CG LYS A 160 2.474 0.835 7.044 1.00 0.00 C ATOM 572 CD LYS A 160 2.889 0.470 8.461 1.00 0.00 C ATOM 573 CE LYS A 160 4.225 1.096 8.831 1.00 0.00 C ATOM 574 NZ LYS A 160 4.118 1.956 10.042 1.00 0.00 N ATOM 0 H LYS A 160 -1.350 0.573 5.962 1.00 0.00 H new ATOM 0 HA LYS A 160 1.142 0.359 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.517 1.670 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.551 0.169 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.004 0.200 6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.767 1.863 6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.124 0.803 9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.956 -0.614 8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.958 0.309 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.592 1.691 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.049 2.364 10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.437 2.722 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.793 1.383 10.847 1.00 0.00 H new ATOM 588 N GLU A 161 0.097 -2.365 6.226 1.00 0.00 N ATOM 589 CA GLU A 161 0.348 -3.790 6.381 1.00 0.00 C ATOM 590 C GLU A 161 0.527 -4.420 5.009 1.00 0.00 C ATOM 591 O GLU A 161 1.363 -5.304 4.820 1.00 0.00 O ATOM 592 CB GLU A 161 -0.808 -4.461 7.126 1.00 0.00 C ATOM 593 CG GLU A 161 -1.008 -3.937 8.538 1.00 0.00 C ATOM 594 CD GLU A 161 -1.452 -5.018 9.504 1.00 0.00 C ATOM 595 OE1 GLU A 161 -0.728 -6.027 9.639 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.522 -4.855 10.126 1.00 0.00 O ATOM 0 H GLU A 161 -0.824 -2.061 6.541 1.00 0.00 H new ATOM 0 HA GLU A 161 1.256 -3.932 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.728 -4.315 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.627 -5.535 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.076 -3.497 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.751 -3.140 8.524 1.00 0.00 H new ATOM 603 N ASP A 162 -0.256 -3.938 4.046 1.00 0.00 N ATOM 604 CA ASP A 162 -0.175 -4.431 2.677 1.00 0.00 C ATOM 605 C ASP A 162 1.206 -4.138 2.105 1.00 0.00 C ATOM 606 O ASP A 162 1.875 -5.022 1.569 1.00 0.00 O ATOM 607 CB ASP A 162 -1.250 -3.772 1.811 1.00 0.00 C ATOM 608 CG ASP A 162 -2.570 -4.516 1.855 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.569 -5.744 1.625 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.604 -3.868 2.121 1.00 0.00 O ATOM 0 H ASP A 162 -0.953 -3.207 4.190 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.341 -5.508 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.404 -2.746 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.900 -3.721 0.780 1.00 0.00 H new ATOM 615 N ILE A 163 1.628 -2.886 2.246 1.00 0.00 N ATOM 616 CA ILE A 163 2.938 -2.449 1.768 1.00 0.00 C ATOM 617 C ILE A 163 4.037 -3.353 2.311 1.00 0.00 C ATOM 618 O ILE A 163 4.828 -3.916 1.554 1.00 0.00 O ATOM 619 CB ILE A 163 3.246 -1.003 2.209 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.087 -0.071 1.864 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.542 -0.510 1.570 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.723 -0.092 0.404 1.00 0.00 C ATOM 0 H ILE A 163 1.079 -2.150 2.690 1.00 0.00 H new ATOM 0 HA ILE A 163 2.910 -2.499 0.680 1.00 0.00 H new ATOM 0 HB ILE A 163 3.374 -0.998 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.215 -0.353 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.350 0.947 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.742 0.512 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.366 -1.155 1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.445 -0.534 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.893 0.592 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.583 0.219 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.430 -1.102 0.117 1.00 0.00 H new ATOM 634 N ASP A 164 4.078 -3.488 3.635 1.00 0.00 N ATOM 635 CA ASP A 164 5.075 -4.325 4.288 1.00 0.00 C ATOM 636 C ASP A 164 5.019 -5.750 3.750 1.00 0.00 C ATOM 637 O ASP A 164 6.050 -6.392 3.553 1.00 0.00 O ATOM 638 CB ASP A 164 4.858 -4.328 5.802 1.00 0.00 C ATOM 639 CG ASP A 164 6.162 -4.368 6.574 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.120 -5.008 6.088 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.226 -3.764 7.665 1.00 0.00 O ATOM 0 H ASP A 164 3.431 -3.027 4.275 1.00 0.00 H new ATOM 0 HA ASP A 164 6.060 -3.912 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.297 -3.438 6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.250 -5.190 6.077 1.00 0.00 H new ATOM 646 N ALA A 165 3.805 -6.234 3.506 1.00 0.00 N ATOM 647 CA ALA A 165 3.611 -7.579 2.982 1.00 0.00 C ATOM 648 C ALA A 165 4.285 -7.726 1.624 1.00 0.00 C ATOM 649 O ALA A 165 4.864 -8.768 1.316 1.00 0.00 O ATOM 650 CB ALA A 165 2.127 -7.899 2.877 1.00 0.00 C ATOM 0 H ALA A 165 2.942 -5.714 3.663 1.00 0.00 H new ATOM 0 HA ALA A 165 4.070 -8.287 3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.999 -8.908 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.670 -7.834 3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.647 -7.185 2.207 1.00 0.00 H new ATOM 656 N TRP A 166 4.213 -6.671 0.818 1.00 0.00 N ATOM 657 CA TRP A 166 4.825 -6.678 -0.506 1.00 0.00 C ATOM 658 C TRP A 166 6.328 -6.902 -0.401 1.00 0.00 C ATOM 659 O TRP A 166 6.872 -7.841 -0.981 1.00 0.00 O ATOM 660 CB TRP A 166 4.550 -5.355 -1.221 1.00 0.00 C ATOM 661 CG TRP A 166 4.836 -5.398 -2.691 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.758 -4.652 -3.368 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.196 -6.228 -3.668 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.731 -4.968 -4.705 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.781 -5.933 -4.914 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.187 -7.195 -3.610 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.389 -6.566 -6.090 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.799 -7.823 -4.779 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.399 -7.507 -6.004 1.00 0.00 C ATOM 0 H TRP A 166 3.737 -5.801 1.058 1.00 0.00 H new ATOM 0 HA TRP A 166 4.388 -7.494 -1.081 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.506 -5.080 -1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.155 -4.572 -0.764 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.413 -3.920 -2.918 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.322 -4.552 -5.425 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.720 -7.446 -2.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.850 -6.323 -7.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 2.020 -8.570 -4.747 1.00 0.00 H new ATOM 0 HH2 TRP A 166 3.074 -8.016 -6.899 1.00 0.00 H new ATOM 680 N LEU A 167 6.989 -6.028 0.348 1.00 0.00 N ATOM 681 CA LEU A 167 8.432 -6.117 0.542 1.00 0.00 C ATOM 682 C LEU A 167 8.807 -7.391 1.290 1.00 0.00 C ATOM 683 O LEU A 167 9.892 -7.941 1.096 1.00 0.00 O ATOM 684 CB LEU A 167 8.931 -4.895 1.312 1.00 0.00 C ATOM 685 CG LEU A 167 8.559 -3.548 0.690 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.907 -2.639 1.720 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.786 -2.881 0.086 1.00 0.00 C ATOM 0 H LEU A 167 6.547 -5.247 0.833 1.00 0.00 H new ATOM 0 HA LEU A 167 8.906 -6.145 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.532 -4.934 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 167 10.016 -4.954 1.395 1.00 0.00 H new ATOM 0 HG LEU A 167 7.838 -3.729 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.651 -1.687 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.002 -3.112 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.600 -2.466 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.502 -1.924 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.531 -2.717 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.205 -3.524 -0.688 1.00 0.00 H new ATOM 699 N ALA A 168 7.904 -7.854 2.147 1.00 0.00 N ATOM 700 CA ALA A 168 8.141 -9.063 2.928 1.00 0.00 C ATOM 701 C ALA A 168 7.547 -10.292 2.246 1.00 0.00 C ATOM 702 O ALA A 168 7.132 -11.241 2.910 1.00 0.00 O ATOM 703 CB ALA A 168 7.564 -8.905 4.327 1.00 0.00 C ATOM 0 H ALA A 168 7.001 -7.411 2.319 1.00 0.00 H new ATOM 0 HA ALA A 168 9.219 -9.210 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.747 -9.814 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 168 8.041 -8.060 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.491 -8.728 4.260 1.00 0.00 H new ATOM 709 N GLY A 169 7.511 -10.271 0.917 1.00 0.00 N ATOM 710 CA GLY A 169 6.969 -11.392 0.172 1.00 0.00 C ATOM 711 C GLY A 169 6.082 -10.954 -0.977 1.00 0.00 C ATOM 712 O GLY A 169 6.513 -10.933 -2.129 1.00 0.00 O ATOM 0 H GLY A 169 7.848 -9.498 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.789 -11.996 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 169 6.396 -12.029 0.846 1.00 0.00 H new ATOM 716 N GLY A 170 4.839 -10.603 -0.661 1.00 0.00 N ATOM 717 CA GLY A 170 3.909 -10.169 -1.686 1.00 0.00 C ATOM 718 C GLY A 170 2.487 -10.063 -1.171 1.00 0.00 C ATOM 719 O GLY A 170 1.927 -8.946 -1.200 1.00 0.00 O ATOM 720 OXT GLY A 170 1.933 -11.096 -0.740 1.00 0.00 O ATOM 0 H GLY A 170 4.460 -10.612 0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 170 4.225 -9.200 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 170 3.939 -10.870 -2.520 1.00 0.00 H new TER 724 GLY A 170