USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 448 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 135 CYS SG : rot 75:sc= 1.65 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 146 ASN : amide:sc= -0.836 K(o=-0.84,f=-0.15) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= -2.58! C(o=-2.6!,f=-4.9!) USER MOD Single : A 171 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.39) USER MOD Single : A 175 SER OG : rot 125:sc= 0.326 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 MET CE :methyl 166:sc= -1.54 (180deg=-2.47!) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 135 1.147 0.043 -0.036 1.00 0.00 N ATOM 2 CA CYS A 135 2.106 -0.081 -1.120 1.00 0.00 C ATOM 3 C CYS A 135 2.043 -1.513 -1.656 1.00 0.00 C ATOM 4 O CYS A 135 3.036 -2.036 -2.157 1.00 0.00 O ATOM 5 CB CYS A 135 3.519 0.298 -0.671 1.00 0.00 C ATOM 6 SG CYS A 135 3.965 -0.628 0.842 1.00 0.00 S ATOM 0 HA CYS A 135 1.849 0.616 -1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 135 4.233 0.079 -1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 135 3.574 1.370 -0.481 1.00 0.00 H new ATOM 0 HG CYS A 135 4.236 -1.861 0.532 1.00 0.00 H new ATOM 12 N TYR A 136 0.864 -2.105 -1.533 1.00 0.00 N ATOM 13 CA TYR A 136 0.658 -3.466 -1.999 1.00 0.00 C ATOM 14 C TYR A 136 -0.819 -3.723 -2.307 1.00 0.00 C ATOM 15 O TYR A 136 -1.684 -2.943 -1.909 1.00 0.00 O ATOM 16 CB TYR A 136 1.092 -4.376 -0.848 1.00 0.00 C ATOM 17 CG TYR A 136 2.606 -4.574 -0.749 1.00 0.00 C ATOM 18 CD1 TYR A 136 3.221 -5.566 -1.486 1.00 0.00 C ATOM 19 CD2 TYR A 136 3.356 -3.762 0.077 1.00 0.00 C ATOM 20 CE1 TYR A 136 4.647 -5.753 -1.392 1.00 0.00 C ATOM 21 CE2 TYR A 136 4.781 -3.949 0.170 1.00 0.00 C ATOM 22 CZ TYR A 136 5.356 -4.935 -0.569 1.00 0.00 C ATOM 23 OH TYR A 136 6.701 -5.111 -0.481 1.00 0.00 O ATOM 0 H TYR A 136 0.042 -1.667 -1.117 1.00 0.00 H new ATOM 0 HA TYR A 136 1.224 -3.648 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 136 0.729 -3.957 0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 136 0.616 -5.349 -0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 136 2.634 -6.202 -2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 136 2.874 -2.986 0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 136 5.141 -6.525 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 136 5.380 -3.320 0.812 1.00 0.00 H new ATOM 0 HH TYR A 136 7.077 -4.455 0.143 1.00 0.00 H new ATOM 33 N VAL A 137 -1.061 -4.818 -3.012 1.00 0.00 N ATOM 34 CA VAL A 137 -2.419 -5.186 -3.377 1.00 0.00 C ATOM 35 C VAL A 137 -2.566 -6.707 -3.307 1.00 0.00 C ATOM 36 O VAL A 137 -1.616 -7.439 -3.579 1.00 0.00 O ATOM 37 CB VAL A 137 -2.763 -4.615 -4.755 1.00 0.00 C ATOM 38 CG1 VAL A 137 -2.839 -3.088 -4.712 1.00 0.00 C ATOM 39 CG2 VAL A 137 -1.758 -5.085 -5.810 1.00 0.00 C ATOM 0 H VAL A 137 -0.341 -5.462 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.133 -4.757 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.746 -4.991 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -3.085 -2.708 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.610 -2.782 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.877 -2.685 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.025 -4.665 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.758 -4.752 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.774 -6.173 -5.869 1.00 0.00 H new ATOM 49 N ARG A 138 -3.764 -7.137 -2.939 1.00 0.00 N ATOM 50 CA ARG A 138 -4.048 -8.558 -2.829 1.00 0.00 C ATOM 51 C ARG A 138 -4.859 -9.032 -4.037 1.00 0.00 C ATOM 52 O ARG A 138 -6.020 -8.661 -4.194 1.00 0.00 O ATOM 53 CB ARG A 138 -4.826 -8.867 -1.549 1.00 0.00 C ATOM 54 CG ARG A 138 -4.625 -10.322 -1.122 1.00 0.00 C ATOM 55 CD ARG A 138 -5.709 -10.759 -0.135 1.00 0.00 C ATOM 56 NE ARG A 138 -5.101 -11.076 1.177 1.00 0.00 N ATOM 57 CZ ARG A 138 -4.906 -10.177 2.151 1.00 0.00 C ATOM 58 NH1 ARG A 138 -5.269 -8.900 1.968 1.00 0.00 N ATOM 59 NH2 ARG A 138 -4.347 -10.554 3.309 1.00 0.00 N ATOM 0 H ARG A 138 -4.549 -6.526 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 138 -3.094 -9.085 -2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -4.498 -8.201 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -5.887 -8.675 -1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -4.645 -10.968 -2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -3.643 -10.438 -0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -6.449 -9.967 -0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -6.234 -11.632 -0.522 1.00 0.00 H new ATOM 0 HE ARG A 138 -4.813 -12.039 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -5.694 -8.612 1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -5.120 -8.216 2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -4.070 -11.526 3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -4.199 -9.869 4.050 1.00 0.00 H new ATOM 73 N ALA A 139 -4.213 -9.847 -4.860 1.00 0.00 N ATOM 74 CA ALA A 139 -4.860 -10.376 -6.048 1.00 0.00 C ATOM 75 C ALA A 139 -5.712 -11.587 -5.664 1.00 0.00 C ATOM 76 O ALA A 139 -5.183 -12.669 -5.418 1.00 0.00 O ATOM 77 CB ALA A 139 -3.799 -10.719 -7.097 1.00 0.00 C ATOM 0 H ALA A 139 -3.249 -10.153 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.524 -9.631 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -4.284 -11.116 -7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.241 -9.820 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -3.116 -11.466 -6.693 1.00 0.00 H new ATOM 83 N LEU A 140 -7.017 -11.362 -5.624 1.00 0.00 N ATOM 84 CA LEU A 140 -7.948 -12.421 -5.274 1.00 0.00 C ATOM 85 C LEU A 140 -8.354 -13.177 -6.540 1.00 0.00 C ATOM 86 O LEU A 140 -9.420 -13.789 -6.587 1.00 0.00 O ATOM 87 CB LEU A 140 -9.133 -11.856 -4.488 1.00 0.00 C ATOM 88 CG LEU A 140 -9.538 -10.420 -4.827 1.00 0.00 C ATOM 89 CD1 LEU A 140 -8.592 -9.413 -4.169 1.00 0.00 C ATOM 90 CD2 LEU A 140 -9.625 -10.217 -6.342 1.00 0.00 C ATOM 0 H LEU A 140 -7.452 -10.462 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.471 -13.143 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.994 -12.504 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.895 -11.904 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 140 -10.533 -10.242 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -8.902 -8.400 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -8.623 -9.538 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.576 -9.582 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -9.915 -9.188 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.654 -10.421 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -10.369 -10.897 -6.758 1.00 0.00 H new ATOM 102 N PHE A 141 -7.483 -13.109 -7.537 1.00 0.00 N ATOM 103 CA PHE A 141 -7.739 -13.779 -8.800 1.00 0.00 C ATOM 104 C PHE A 141 -6.435 -14.269 -9.435 1.00 0.00 C ATOM 105 O PHE A 141 -5.396 -13.624 -9.301 1.00 0.00 O ATOM 106 CB PHE A 141 -8.389 -12.751 -9.729 1.00 0.00 C ATOM 107 CG PHE A 141 -9.916 -12.727 -9.657 1.00 0.00 C ATOM 108 CD1 PHE A 141 -10.640 -13.738 -10.208 1.00 0.00 C ATOM 109 CD2 PHE A 141 -10.552 -11.692 -9.042 1.00 0.00 C ATOM 110 CE1 PHE A 141 -12.058 -13.715 -10.141 1.00 0.00 C ATOM 111 CE2 PHE A 141 -11.970 -11.669 -8.976 1.00 0.00 C ATOM 112 CZ PHE A 141 -12.693 -12.681 -9.526 1.00 0.00 C ATOM 0 H PHE A 141 -6.600 -12.600 -7.495 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.381 -14.645 -8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.008 -11.760 -9.481 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.087 -12.961 -10.755 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -10.136 -14.559 -10.697 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -9.978 -10.889 -8.604 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -12.632 -14.518 -10.578 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -12.475 -10.848 -8.489 1.00 0.00 H new ATOM 0 HZ PHE A 141 -13.772 -12.664 -9.475 1.00 0.00 H new ATOM 122 N ASP A 142 -6.533 -15.404 -10.110 1.00 0.00 N ATOM 123 CA ASP A 142 -5.374 -15.988 -10.766 1.00 0.00 C ATOM 124 C ASP A 142 -5.229 -15.387 -12.164 1.00 0.00 C ATOM 125 O ASP A 142 -6.215 -14.972 -12.772 1.00 0.00 O ATOM 126 CB ASP A 142 -5.530 -17.502 -10.914 1.00 0.00 C ATOM 127 CG ASP A 142 -4.812 -18.111 -12.120 1.00 0.00 C ATOM 128 OD1 ASP A 142 -5.275 -17.845 -13.251 1.00 0.00 O ATOM 129 OD2 ASP A 142 -3.815 -18.827 -11.885 1.00 0.00 O ATOM 0 H ASP A 142 -7.397 -15.936 -10.217 1.00 0.00 H new ATOM 0 HA ASP A 142 -4.497 -15.775 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -5.157 -17.981 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -6.592 -17.738 -10.985 1.00 0.00 H new ATOM 134 N PHE A 143 -3.991 -15.359 -12.636 1.00 0.00 N ATOM 135 CA PHE A 143 -3.704 -14.816 -13.953 1.00 0.00 C ATOM 136 C PHE A 143 -2.274 -15.150 -14.383 1.00 0.00 C ATOM 137 O PHE A 143 -1.321 -14.868 -13.658 1.00 0.00 O ATOM 138 CB PHE A 143 -3.853 -13.298 -13.854 1.00 0.00 C ATOM 139 CG PHE A 143 -4.513 -12.655 -15.075 1.00 0.00 C ATOM 140 CD1 PHE A 143 -4.004 -12.877 -16.317 1.00 0.00 C ATOM 141 CD2 PHE A 143 -5.607 -11.864 -14.920 1.00 0.00 C ATOM 142 CE1 PHE A 143 -4.616 -12.280 -17.451 1.00 0.00 C ATOM 143 CE2 PHE A 143 -6.219 -11.267 -16.054 1.00 0.00 C ATOM 144 CZ PHE A 143 -5.711 -11.488 -17.296 1.00 0.00 C ATOM 0 H PHE A 143 -3.175 -15.704 -12.130 1.00 0.00 H new ATOM 0 HA PHE A 143 -4.386 -15.244 -14.688 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -4.441 -13.058 -12.968 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.867 -12.855 -13.712 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -3.135 -13.507 -16.440 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -6.011 -11.689 -13.934 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -4.212 -12.455 -18.437 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -7.088 -10.638 -15.930 1.00 0.00 H new ATOM 0 HZ PHE A 143 -6.177 -11.035 -18.159 1.00 0.00 H new ATOM 154 N ASN A 144 -2.167 -15.744 -15.563 1.00 0.00 N ATOM 155 CA ASN A 144 -0.870 -16.118 -16.098 1.00 0.00 C ATOM 156 C ASN A 144 -0.856 -15.873 -17.609 1.00 0.00 C ATOM 157 O ASN A 144 -1.149 -16.776 -18.391 1.00 0.00 O ATOM 158 CB ASN A 144 -0.582 -17.602 -15.858 1.00 0.00 C ATOM 159 CG ASN A 144 0.895 -17.920 -16.101 1.00 0.00 C ATOM 160 OD1 ASN A 144 1.332 -18.146 -17.218 1.00 0.00 O ATOM 161 ND2 ASN A 144 1.636 -17.925 -14.997 1.00 0.00 N ATOM 0 H ASN A 144 -2.959 -15.975 -16.163 1.00 0.00 H new ATOM 0 HA ASN A 144 -0.112 -15.517 -15.595 1.00 0.00 H new ATOM 0 HB2 ASN A 144 -0.852 -17.868 -14.836 1.00 0.00 H new ATOM 0 HB3 ASN A 144 -1.202 -18.208 -16.519 1.00 0.00 H new ATOM 0 HD21 ASN A 144 2.634 -18.127 -15.054 1.00 0.00 H new ATOM 0 HD22 ASN A 144 1.206 -17.727 -14.093 1.00 0.00 H new ATOM 168 N GLY A 145 -0.512 -14.646 -17.974 1.00 0.00 N ATOM 169 CA GLY A 145 -0.456 -14.270 -19.375 1.00 0.00 C ATOM 170 C GLY A 145 -1.665 -13.416 -19.763 1.00 0.00 C ATOM 171 O GLY A 145 -2.807 -13.847 -19.617 1.00 0.00 O ATOM 0 H GLY A 145 -0.269 -13.900 -17.322 1.00 0.00 H new ATOM 0 HA2 GLY A 145 0.462 -13.716 -19.570 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -0.426 -15.166 -19.995 1.00 0.00 H new ATOM 175 N ASN A 146 -1.371 -12.218 -20.249 1.00 0.00 N ATOM 176 CA ASN A 146 -2.419 -11.299 -20.659 1.00 0.00 C ATOM 177 C ASN A 146 -1.931 -10.474 -21.851 1.00 0.00 C ATOM 178 O ASN A 146 -2.502 -10.549 -22.937 1.00 0.00 O ATOM 179 CB ASN A 146 -2.775 -10.332 -19.528 1.00 0.00 C ATOM 180 CG ASN A 146 -3.988 -9.477 -19.900 1.00 0.00 C ATOM 181 OD1 ASN A 146 -3.901 -8.273 -20.079 1.00 0.00 O ATOM 182 ND2 ASN A 146 -5.122 -10.164 -20.005 1.00 0.00 N ATOM 0 H ASN A 146 -0.422 -11.863 -20.368 1.00 0.00 H new ATOM 0 HA ASN A 146 -3.299 -11.886 -20.923 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -2.986 -10.893 -18.618 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -1.923 -9.687 -19.314 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -5.988 -9.684 -20.249 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -5.125 -11.171 -19.842 1.00 0.00 H new ATOM 189 N ASP A 147 -0.880 -9.706 -21.607 1.00 0.00 N ATOM 190 CA ASP A 147 -0.308 -8.868 -22.647 1.00 0.00 C ATOM 191 C ASP A 147 1.210 -8.809 -22.472 1.00 0.00 C ATOM 192 O ASP A 147 1.765 -9.477 -21.601 1.00 0.00 O ATOM 193 CB ASP A 147 -0.850 -7.439 -22.564 1.00 0.00 C ATOM 194 CG ASP A 147 -1.341 -6.856 -23.890 1.00 0.00 C ATOM 195 OD1 ASP A 147 -1.704 -7.668 -24.768 1.00 0.00 O ATOM 196 OD2 ASP A 147 -1.343 -5.611 -23.995 1.00 0.00 O ATOM 0 H ASP A 147 -0.409 -9.646 -20.704 1.00 0.00 H new ATOM 0 HA ASP A 147 -0.575 -9.299 -23.612 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -1.672 -7.419 -21.849 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -0.067 -6.792 -22.168 1.00 0.00 H new ATOM 201 N GLU A 148 1.841 -8.002 -23.314 1.00 0.00 N ATOM 202 CA GLU A 148 3.284 -7.847 -23.262 1.00 0.00 C ATOM 203 C GLU A 148 3.666 -6.755 -22.261 1.00 0.00 C ATOM 204 O GLU A 148 4.626 -6.017 -22.477 1.00 0.00 O ATOM 205 CB GLU A 148 3.852 -7.541 -24.649 1.00 0.00 C ATOM 206 CG GLU A 148 5.349 -7.854 -24.710 1.00 0.00 C ATOM 207 CD GLU A 148 5.700 -8.609 -25.994 1.00 0.00 C ATOM 208 OE1 GLU A 148 5.642 -9.856 -25.951 1.00 0.00 O ATOM 209 OE2 GLU A 148 6.018 -7.920 -26.988 1.00 0.00 O ATOM 0 H GLU A 148 1.378 -7.449 -24.036 1.00 0.00 H new ATOM 0 HA GLU A 148 3.719 -8.788 -22.926 1.00 0.00 H new ATOM 0 HB2 GLU A 148 3.323 -8.128 -25.400 1.00 0.00 H new ATOM 0 HB3 GLU A 148 3.686 -6.491 -24.890 1.00 0.00 H new ATOM 0 HG2 GLU A 148 5.920 -6.927 -24.661 1.00 0.00 H new ATOM 0 HG3 GLU A 148 5.635 -8.450 -23.844 1.00 0.00 H new ATOM 216 N GLU A 149 2.893 -6.686 -21.186 1.00 0.00 N ATOM 217 CA GLU A 149 3.138 -5.697 -20.151 1.00 0.00 C ATOM 218 C GLU A 149 2.162 -5.893 -18.988 1.00 0.00 C ATOM 219 O GLU A 149 1.762 -4.928 -18.339 1.00 0.00 O ATOM 220 CB GLU A 149 3.040 -4.278 -20.714 1.00 0.00 C ATOM 221 CG GLU A 149 1.649 -4.012 -21.293 1.00 0.00 C ATOM 222 CD GLU A 149 1.656 -2.772 -22.190 1.00 0.00 C ATOM 223 OE1 GLU A 149 2.614 -2.651 -22.984 1.00 0.00 O ATOM 224 OE2 GLU A 149 0.704 -1.973 -22.061 1.00 0.00 O ATOM 0 H GLU A 149 2.097 -7.299 -21.010 1.00 0.00 H new ATOM 0 HA GLU A 149 4.152 -5.835 -19.777 1.00 0.00 H new ATOM 0 HB2 GLU A 149 3.254 -3.555 -19.927 1.00 0.00 H new ATOM 0 HB3 GLU A 149 3.793 -4.138 -21.489 1.00 0.00 H new ATOM 0 HG2 GLU A 149 1.318 -4.878 -21.866 1.00 0.00 H new ATOM 0 HG3 GLU A 149 0.934 -3.874 -20.482 1.00 0.00 H new ATOM 231 N ASP A 150 1.808 -7.149 -18.761 1.00 0.00 N ATOM 232 CA ASP A 150 0.887 -7.484 -17.687 1.00 0.00 C ATOM 233 C ASP A 150 1.600 -8.374 -16.668 1.00 0.00 C ATOM 234 O ASP A 150 2.368 -9.260 -17.042 1.00 0.00 O ATOM 235 CB ASP A 150 -0.324 -8.253 -18.221 1.00 0.00 C ATOM 236 CG ASP A 150 -1.256 -8.818 -17.147 1.00 0.00 C ATOM 237 OD1 ASP A 150 -0.780 -9.683 -16.381 1.00 0.00 O ATOM 238 OD2 ASP A 150 -2.422 -8.369 -17.115 1.00 0.00 O ATOM 0 H ASP A 150 2.142 -7.947 -19.302 1.00 0.00 H new ATOM 0 HA ASP A 150 0.551 -6.554 -17.228 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -0.899 -7.591 -18.868 1.00 0.00 H new ATOM 0 HB3 ASP A 150 0.032 -9.076 -18.841 1.00 0.00 H new ATOM 243 N LEU A 151 1.322 -8.109 -15.400 1.00 0.00 N ATOM 244 CA LEU A 151 1.928 -8.875 -14.324 1.00 0.00 C ATOM 245 C LEU A 151 0.926 -9.914 -13.818 1.00 0.00 C ATOM 246 O LEU A 151 -0.046 -9.570 -13.147 1.00 0.00 O ATOM 247 CB LEU A 151 2.452 -7.941 -13.231 1.00 0.00 C ATOM 248 CG LEU A 151 2.738 -8.590 -11.875 1.00 0.00 C ATOM 249 CD1 LEU A 151 3.643 -9.814 -12.033 1.00 0.00 C ATOM 250 CD2 LEU A 151 3.317 -7.571 -10.891 1.00 0.00 C ATOM 0 H LEU A 151 0.685 -7.374 -15.093 1.00 0.00 H new ATOM 0 HA LEU A 151 2.798 -9.422 -14.687 1.00 0.00 H new ATOM 0 HB2 LEU A 151 3.370 -7.474 -13.589 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.725 -7.143 -13.083 1.00 0.00 H new ATOM 0 HG LEU A 151 1.794 -8.940 -11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 151 3.831 -10.256 -11.055 1.00 0.00 H new ATOM 0 HD12 LEU A 151 3.155 -10.547 -12.675 1.00 0.00 H new ATOM 0 HD13 LEU A 151 4.589 -9.511 -12.482 1.00 0.00 H new ATOM 0 HD21 LEU A 151 3.511 -8.058 -9.935 1.00 0.00 H new ATOM 0 HD22 LEU A 151 4.249 -7.169 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 151 2.604 -6.759 -10.746 1.00 0.00 H new ATOM 262 N PRO A 152 1.206 -11.199 -14.166 1.00 0.00 N ATOM 263 CA PRO A 152 0.340 -12.290 -13.753 1.00 0.00 C ATOM 264 C PRO A 152 0.534 -12.614 -12.271 1.00 0.00 C ATOM 265 O PRO A 152 1.354 -11.990 -11.597 1.00 0.00 O ATOM 266 CB PRO A 152 0.706 -13.449 -14.666 1.00 0.00 C ATOM 267 CG PRO A 152 2.073 -13.113 -15.239 1.00 0.00 C ATOM 268 CD PRO A 152 2.348 -11.644 -14.958 1.00 0.00 C ATOM 0 HA PRO A 152 -0.718 -12.045 -13.845 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.734 -14.388 -14.113 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.031 -13.569 -15.460 1.00 0.00 H new ATOM 0 HG2 PRO A 152 2.841 -13.739 -14.785 1.00 0.00 H new ATOM 0 HG3 PRO A 152 2.096 -13.307 -16.311 1.00 0.00 H new ATOM 0 HD2 PRO A 152 3.283 -11.513 -14.413 1.00 0.00 H new ATOM 0 HD3 PRO A 152 2.435 -11.073 -15.883 1.00 0.00 H new ATOM 276 N PHE A 153 -0.234 -13.587 -11.804 1.00 0.00 N ATOM 277 CA PHE A 153 -0.157 -14.001 -10.413 1.00 0.00 C ATOM 278 C PHE A 153 -1.097 -15.177 -10.137 1.00 0.00 C ATOM 279 O PHE A 153 -1.679 -15.741 -11.063 1.00 0.00 O ATOM 280 CB PHE A 153 -0.594 -12.804 -9.566 1.00 0.00 C ATOM 281 CG PHE A 153 -1.793 -12.044 -10.135 1.00 0.00 C ATOM 282 CD1 PHE A 153 -2.956 -12.701 -10.392 1.00 0.00 C ATOM 283 CD2 PHE A 153 -1.697 -10.709 -10.383 1.00 0.00 C ATOM 284 CE1 PHE A 153 -4.069 -11.995 -10.920 1.00 0.00 C ATOM 285 CE2 PHE A 153 -2.811 -10.004 -10.911 1.00 0.00 C ATOM 286 CZ PHE A 153 -3.973 -10.662 -11.169 1.00 0.00 C ATOM 0 H PHE A 153 -0.913 -14.101 -12.365 1.00 0.00 H new ATOM 0 HA PHE A 153 0.858 -14.319 -10.175 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.840 -13.152 -8.563 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.246 -12.116 -9.467 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -3.033 -13.760 -10.194 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -0.774 -10.186 -10.178 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -4.992 -12.517 -11.124 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.735 -8.945 -11.108 1.00 0.00 H new ATOM 0 HZ PHE A 153 -4.819 -10.126 -11.572 1.00 0.00 H new ATOM 296 N LYS A 154 -1.218 -15.509 -8.861 1.00 0.00 N ATOM 297 CA LYS A 154 -2.078 -16.607 -8.452 1.00 0.00 C ATOM 298 C LYS A 154 -3.113 -16.092 -7.450 1.00 0.00 C ATOM 299 O LYS A 154 -2.793 -15.279 -6.584 1.00 0.00 O ATOM 300 CB LYS A 154 -1.241 -17.776 -7.926 1.00 0.00 C ATOM 301 CG LYS A 154 -1.760 -18.255 -6.569 1.00 0.00 C ATOM 302 CD LYS A 154 -0.792 -19.254 -5.933 1.00 0.00 C ATOM 303 CE LYS A 154 -1.258 -20.693 -6.167 1.00 0.00 C ATOM 304 NZ LYS A 154 -0.277 -21.427 -6.999 1.00 0.00 N ATOM 0 H LYS A 154 -0.735 -15.037 -8.096 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.629 -16.999 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.269 -18.598 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -0.199 -17.469 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -1.895 -17.401 -5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -2.738 -18.720 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 154 0.205 -19.118 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -0.716 -19.062 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -1.385 -21.201 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -2.231 -20.691 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -0.608 -22.401 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -0.176 -20.951 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 0.644 -21.445 -6.516 1.00 0.00 H new ATOM 318 N LYS A 155 -4.333 -16.587 -7.602 1.00 0.00 N ATOM 319 CA LYS A 155 -5.417 -16.187 -6.721 1.00 0.00 C ATOM 320 C LYS A 155 -4.918 -16.183 -5.274 1.00 0.00 C ATOM 321 O LYS A 155 -4.565 -17.230 -4.734 1.00 0.00 O ATOM 322 CB LYS A 155 -6.644 -17.073 -6.947 1.00 0.00 C ATOM 323 CG LYS A 155 -7.917 -16.381 -6.454 1.00 0.00 C ATOM 324 CD LYS A 155 -7.925 -16.265 -4.929 1.00 0.00 C ATOM 325 CE LYS A 155 -7.872 -17.647 -4.274 1.00 0.00 C ATOM 326 NZ LYS A 155 -9.082 -17.878 -3.454 1.00 0.00 N ATOM 0 H LYS A 155 -4.594 -17.261 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.739 -15.171 -6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -6.739 -17.305 -8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -6.515 -18.020 -6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -7.990 -15.388 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -8.791 -16.943 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -7.072 -15.670 -4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -8.823 -15.739 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -7.793 -18.417 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -6.982 -17.726 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -9.030 -18.820 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -9.141 -17.154 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -9.927 -17.823 -4.058 1.00 0.00 H new ATOM 340 N GLY A 156 -4.907 -14.995 -4.690 1.00 0.00 N ATOM 341 CA GLY A 156 -4.457 -14.841 -3.316 1.00 0.00 C ATOM 342 C GLY A 156 -2.970 -14.487 -3.262 1.00 0.00 C ATOM 343 O GLY A 156 -2.226 -15.036 -2.451 1.00 0.00 O ATOM 0 H GLY A 156 -5.202 -14.130 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.038 -14.061 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.635 -15.765 -2.766 1.00 0.00 H new ATOM 347 N ASP A 157 -2.580 -13.571 -4.137 1.00 0.00 N ATOM 348 CA ASP A 157 -1.195 -13.137 -4.199 1.00 0.00 C ATOM 349 C ASP A 157 -1.111 -11.658 -3.816 1.00 0.00 C ATOM 350 O ASP A 157 -2.135 -10.989 -3.682 1.00 0.00 O ATOM 351 CB ASP A 157 -0.632 -13.293 -5.613 1.00 0.00 C ATOM 352 CG ASP A 157 0.890 -13.184 -5.719 1.00 0.00 C ATOM 353 OD1 ASP A 157 1.549 -14.227 -5.515 1.00 0.00 O ATOM 354 OD2 ASP A 157 1.360 -12.060 -6.002 1.00 0.00 O ATOM 0 H ASP A 157 -3.199 -13.118 -4.809 1.00 0.00 H new ATOM 0 HA ASP A 157 -0.617 -13.754 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -0.940 -14.262 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -1.081 -12.533 -6.252 1.00 0.00 H new ATOM 359 N ILE A 158 0.118 -11.191 -3.652 1.00 0.00 N ATOM 360 CA ILE A 158 0.349 -9.804 -3.289 1.00 0.00 C ATOM 361 C ILE A 158 1.199 -9.132 -4.368 1.00 0.00 C ATOM 362 O ILE A 158 2.075 -9.765 -4.956 1.00 0.00 O ATOM 363 CB ILE A 158 0.952 -9.712 -1.884 1.00 0.00 C ATOM 364 CG1 ILE A 158 0.054 -10.402 -0.855 1.00 0.00 C ATOM 365 CG2 ILE A 158 1.244 -8.257 -1.508 1.00 0.00 C ATOM 366 CD1 ILE A 158 -1.319 -9.732 -0.789 1.00 0.00 C ATOM 0 H ILE A 158 0.964 -11.749 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 158 -0.595 -9.260 -3.243 1.00 0.00 H new ATOM 0 HB ILE A 158 1.905 -10.242 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -0.063 -11.454 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 158 0.527 -10.368 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 158 1.671 -8.219 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 158 1.951 -7.832 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 158 0.318 -7.683 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -1.937 -10.242 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 158 -1.200 -8.687 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 158 -1.799 -9.789 -1.766 1.00 0.00 H new ATOM 378 N LEU A 159 0.912 -7.858 -4.596 1.00 0.00 N ATOM 379 CA LEU A 159 1.638 -7.095 -5.595 1.00 0.00 C ATOM 380 C LEU A 159 1.878 -5.677 -5.072 1.00 0.00 C ATOM 381 O LEU A 159 0.963 -5.043 -4.547 1.00 0.00 O ATOM 382 CB LEU A 159 0.910 -7.139 -6.940 1.00 0.00 C ATOM 383 CG LEU A 159 0.206 -8.455 -7.277 1.00 0.00 C ATOM 384 CD1 LEU A 159 -1.044 -8.207 -8.124 1.00 0.00 C ATOM 385 CD2 LEU A 159 1.168 -9.436 -7.950 1.00 0.00 C ATOM 0 H LEU A 159 0.186 -7.336 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 159 2.617 -7.540 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.170 -6.339 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.631 -6.923 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 159 -0.122 -8.914 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.525 -9.159 -8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.737 -7.571 -7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.761 -7.714 -9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.642 -10.363 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.548 -8.998 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.000 -9.648 -7.279 1.00 0.00 H new ATOM 397 N ARG A 160 3.110 -5.220 -5.234 1.00 0.00 N ATOM 398 CA ARG A 160 3.481 -3.889 -4.785 1.00 0.00 C ATOM 399 C ARG A 160 3.246 -2.868 -5.900 1.00 0.00 C ATOM 400 O ARG A 160 3.994 -2.826 -6.876 1.00 0.00 O ATOM 401 CB ARG A 160 4.949 -3.840 -4.359 1.00 0.00 C ATOM 402 CG ARG A 160 5.397 -2.400 -4.102 1.00 0.00 C ATOM 403 CD ARG A 160 6.273 -2.314 -2.849 1.00 0.00 C ATOM 404 NE ARG A 160 7.674 -2.650 -3.187 1.00 0.00 N ATOM 405 CZ ARG A 160 8.572 -1.761 -3.636 1.00 0.00 C ATOM 406 NH1 ARG A 160 8.220 -0.480 -3.805 1.00 0.00 N ATOM 407 NH2 ARG A 160 9.821 -2.156 -3.918 1.00 0.00 N ATOM 0 H ARG A 160 3.865 -5.748 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 160 2.857 -3.644 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.090 -4.435 -3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.572 -4.285 -5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.951 -2.028 -4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.523 -1.759 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.223 -1.310 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 160 5.900 -2.998 -2.087 1.00 0.00 H new ATOM 0 HE ARG A 160 7.975 -3.618 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 160 7.269 -0.180 -3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 160 8.903 0.196 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 160 10.088 -3.132 -3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 160 10.505 -1.480 -4.260 1.00 0.00 H new ATOM 421 N ILE A 161 2.204 -2.070 -5.719 1.00 0.00 N ATOM 422 CA ILE A 161 1.861 -1.052 -6.698 1.00 0.00 C ATOM 423 C ILE A 161 2.710 0.196 -6.447 1.00 0.00 C ATOM 424 O ILE A 161 2.756 0.706 -5.329 1.00 0.00 O ATOM 425 CB ILE A 161 0.356 -0.785 -6.687 1.00 0.00 C ATOM 426 CG1 ILE A 161 0.000 0.309 -5.678 1.00 0.00 C ATOM 427 CG2 ILE A 161 -0.429 -2.073 -6.437 1.00 0.00 C ATOM 428 CD1 ILE A 161 0.313 1.697 -6.240 1.00 0.00 C ATOM 0 H ILE A 161 1.586 -2.108 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 161 2.092 -1.398 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 161 0.068 -0.420 -7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -1.058 0.245 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 161 0.558 0.152 -4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -1.497 -1.854 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -0.208 -2.792 -7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -0.142 -2.492 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 161 0.051 2.456 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 161 1.377 1.766 -6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -0.265 1.860 -7.150 1.00 0.00 H new ATOM 440 N ARG A 162 3.362 0.652 -7.508 1.00 0.00 N ATOM 441 CA ARG A 162 4.206 1.831 -7.416 1.00 0.00 C ATOM 442 C ARG A 162 3.740 2.896 -8.412 1.00 0.00 C ATOM 443 O ARG A 162 4.048 4.076 -8.253 1.00 0.00 O ATOM 444 CB ARG A 162 5.669 1.484 -7.699 1.00 0.00 C ATOM 445 CG ARG A 162 6.593 2.638 -7.304 1.00 0.00 C ATOM 446 CD ARG A 162 7.737 2.792 -8.309 1.00 0.00 C ATOM 447 NE ARG A 162 9.020 2.963 -7.593 1.00 0.00 N ATOM 448 CZ ARG A 162 9.784 1.948 -7.168 1.00 0.00 C ATOM 449 NH1 ARG A 162 9.399 0.683 -7.385 1.00 0.00 N ATOM 450 NH2 ARG A 162 10.934 2.197 -6.526 1.00 0.00 N ATOM 0 H ARG A 162 3.322 0.226 -8.434 1.00 0.00 H new ATOM 0 HA ARG A 162 4.126 2.218 -6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 162 5.947 0.586 -7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 162 5.795 1.259 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 162 6.022 3.565 -7.253 1.00 0.00 H new ATOM 0 HG3 ARG A 162 7.000 2.459 -6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 162 7.785 1.915 -8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.553 3.652 -8.953 1.00 0.00 H new ATOM 0 HE ARG A 162 9.343 3.913 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 162 8.524 0.493 -7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 162 9.981 -0.090 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 162 11.228 3.160 -6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 162 11.515 1.424 -6.203 1.00 0.00 H new ATOM 464 N ASP A 163 3.005 2.441 -9.415 1.00 0.00 N ATOM 465 CA ASP A 163 2.493 3.339 -10.436 1.00 0.00 C ATOM 466 C ASP A 163 1.030 3.000 -10.721 1.00 0.00 C ATOM 467 O ASP A 163 0.623 1.844 -10.612 1.00 0.00 O ATOM 468 CB ASP A 163 3.276 3.192 -11.742 1.00 0.00 C ATOM 469 CG ASP A 163 4.320 4.280 -11.998 1.00 0.00 C ATOM 470 OD1 ASP A 163 4.207 5.340 -11.344 1.00 0.00 O ATOM 471 OD2 ASP A 163 5.209 4.028 -12.839 1.00 0.00 O ATOM 0 H ASP A 163 2.751 1.461 -9.543 1.00 0.00 H new ATOM 0 HA ASP A 163 2.594 4.360 -10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.776 2.223 -11.741 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.570 3.185 -12.572 1.00 0.00 H new ATOM 476 N LYS A 164 0.275 4.028 -11.081 1.00 0.00 N ATOM 477 CA LYS A 164 -1.135 3.854 -11.382 1.00 0.00 C ATOM 478 C LYS A 164 -1.538 4.821 -12.497 1.00 0.00 C ATOM 479 O LYS A 164 -2.173 5.842 -12.238 1.00 0.00 O ATOM 480 CB LYS A 164 -1.976 3.995 -10.112 1.00 0.00 C ATOM 481 CG LYS A 164 -3.401 4.444 -10.444 1.00 0.00 C ATOM 482 CD LYS A 164 -3.644 5.882 -9.983 1.00 0.00 C ATOM 483 CE LYS A 164 -4.943 6.435 -10.574 1.00 0.00 C ATOM 484 NZ LYS A 164 -5.782 7.033 -9.512 1.00 0.00 N ATOM 0 H LYS A 164 0.615 4.986 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.323 2.846 -11.751 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -2.005 3.042 -9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -1.510 4.717 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.569 4.370 -11.518 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -4.117 3.778 -9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.692 5.916 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -2.806 6.511 -10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -4.715 7.185 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -5.492 5.636 -11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -6.659 7.403 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -6.015 6.308 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -5.262 7.809 -9.054 1.00 0.00 H new ATOM 498 N PRO A 165 -1.140 4.457 -13.746 1.00 0.00 N ATOM 499 CA PRO A 165 -1.453 5.280 -14.901 1.00 0.00 C ATOM 500 C PRO A 165 -2.925 5.142 -15.291 1.00 0.00 C ATOM 501 O PRO A 165 -3.606 6.138 -15.527 1.00 0.00 O ATOM 502 CB PRO A 165 -0.502 4.809 -15.989 1.00 0.00 C ATOM 503 CG PRO A 165 -0.018 3.435 -15.553 1.00 0.00 C ATOM 504 CD PRO A 165 -0.386 3.255 -14.090 1.00 0.00 C ATOM 0 HA PRO A 165 -1.319 6.344 -14.708 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -1.007 4.757 -16.954 1.00 0.00 H new ATOM 0 HB3 PRO A 165 0.334 5.499 -16.103 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -0.479 2.657 -16.161 1.00 0.00 H new ATOM 0 HG3 PRO A 165 1.060 3.349 -15.689 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -0.984 2.356 -13.940 1.00 0.00 H new ATOM 0 HD3 PRO A 165 0.503 3.154 -13.468 1.00 0.00 H new ATOM 512 N GLU A 166 -3.375 3.896 -15.347 1.00 0.00 N ATOM 513 CA GLU A 166 -4.754 3.613 -15.705 1.00 0.00 C ATOM 514 C GLU A 166 -5.626 3.554 -14.450 1.00 0.00 C ATOM 515 O GLU A 166 -5.118 3.624 -13.333 1.00 0.00 O ATOM 516 CB GLU A 166 -4.858 2.314 -16.506 1.00 0.00 C ATOM 517 CG GLU A 166 -3.852 2.300 -17.660 1.00 0.00 C ATOM 518 CD GLU A 166 -4.163 3.405 -18.671 1.00 0.00 C ATOM 519 OE1 GLU A 166 -5.364 3.586 -18.964 1.00 0.00 O ATOM 520 OE2 GLU A 166 -3.191 4.045 -19.129 1.00 0.00 O ATOM 0 H GLU A 166 -2.808 3.071 -15.150 1.00 0.00 H new ATOM 0 HA GLU A 166 -5.117 4.422 -16.339 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -4.677 1.462 -15.850 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -5.869 2.204 -16.899 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -2.843 2.433 -17.269 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -3.876 1.330 -18.157 1.00 0.00 H new ATOM 527 N GLU A 167 -6.926 3.427 -14.676 1.00 0.00 N ATOM 528 CA GLU A 167 -7.873 3.357 -13.577 1.00 0.00 C ATOM 529 C GLU A 167 -8.351 1.917 -13.377 1.00 0.00 C ATOM 530 O GLU A 167 -9.513 1.685 -13.051 1.00 0.00 O ATOM 531 CB GLU A 167 -9.057 4.299 -13.813 1.00 0.00 C ATOM 532 CG GLU A 167 -8.643 5.759 -13.617 1.00 0.00 C ATOM 533 CD GLU A 167 -9.459 6.415 -12.502 1.00 0.00 C ATOM 534 OE1 GLU A 167 -10.701 6.430 -12.642 1.00 0.00 O ATOM 535 OE2 GLU A 167 -8.823 6.888 -11.536 1.00 0.00 O ATOM 0 H GLU A 167 -7.345 3.371 -15.604 1.00 0.00 H new ATOM 0 HA GLU A 167 -7.367 3.681 -12.667 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.442 4.159 -14.823 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -9.866 4.051 -13.126 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -7.582 5.810 -13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -8.784 6.309 -14.548 1.00 0.00 H new ATOM 542 N GLN A 168 -7.428 0.989 -13.582 1.00 0.00 N ATOM 543 CA GLN A 168 -7.739 -0.423 -13.428 1.00 0.00 C ATOM 544 C GLN A 168 -6.468 -1.263 -13.553 1.00 0.00 C ATOM 545 O GLN A 168 -6.293 -2.241 -12.827 1.00 0.00 O ATOM 546 CB GLN A 168 -8.792 -0.865 -14.446 1.00 0.00 C ATOM 547 CG GLN A 168 -10.204 -0.725 -13.872 1.00 0.00 C ATOM 548 CD GLN A 168 -11.073 -1.925 -14.256 1.00 0.00 C ATOM 549 OE1 GLN A 168 -10.709 -2.749 -15.078 1.00 0.00 O ATOM 550 NE2 GLN A 168 -12.238 -1.974 -13.617 1.00 0.00 N ATOM 0 H GLN A 168 -6.465 1.187 -13.853 1.00 0.00 H new ATOM 0 HA GLN A 168 -8.156 -0.578 -12.433 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -8.702 -0.264 -15.351 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.613 -1.901 -14.732 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.153 -0.641 -12.786 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -10.661 0.193 -14.241 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -12.479 -1.250 -12.940 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.890 -2.736 -13.804 1.00 0.00 H new ATOM 559 N TRP A 169 -5.613 -0.852 -14.479 1.00 0.00 N ATOM 560 CA TRP A 169 -4.363 -1.556 -14.707 1.00 0.00 C ATOM 561 C TRP A 169 -3.222 -0.667 -14.208 1.00 0.00 C ATOM 562 O TRP A 169 -2.787 0.245 -14.909 1.00 0.00 O ATOM 563 CB TRP A 169 -4.215 -1.946 -16.180 1.00 0.00 C ATOM 564 CG TRP A 169 -5.066 -3.149 -16.592 1.00 0.00 C ATOM 565 CD1 TRP A 169 -6.261 -3.145 -17.198 1.00 0.00 C ATOM 566 CD2 TRP A 169 -4.734 -4.541 -16.406 1.00 0.00 C ATOM 567 NE1 TRP A 169 -6.723 -4.428 -17.414 1.00 0.00 N ATOM 568 CE2 TRP A 169 -5.765 -5.303 -16.916 1.00 0.00 C ATOM 569 CE3 TRP A 169 -3.602 -5.136 -15.823 1.00 0.00 C ATOM 570 CZ2 TRP A 169 -5.766 -6.703 -16.897 1.00 0.00 C ATOM 571 CZ3 TRP A 169 -3.618 -6.536 -15.812 1.00 0.00 C ATOM 572 CH2 TRP A 169 -4.647 -7.318 -16.322 1.00 0.00 C ATOM 0 H TRP A 169 -5.762 -0.041 -15.079 1.00 0.00 H new ATOM 0 HA TRP A 169 -4.342 -2.494 -14.153 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -4.486 -1.092 -16.801 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -3.167 -2.168 -16.383 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -6.796 -2.251 -17.482 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -7.605 -4.686 -17.857 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -2.785 -4.559 -15.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -6.585 -7.277 -17.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -2.770 -7.044 -15.376 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -4.584 -8.395 -16.275 1.00 0.00 H new ATOM 583 N TRP A 170 -2.770 -0.965 -12.998 1.00 0.00 N ATOM 584 CA TRP A 170 -1.688 -0.205 -12.396 1.00 0.00 C ATOM 585 C TRP A 170 -0.418 -1.057 -12.459 1.00 0.00 C ATOM 586 O TRP A 170 -0.492 -2.276 -12.609 1.00 0.00 O ATOM 587 CB TRP A 170 -2.047 0.227 -10.973 1.00 0.00 C ATOM 588 CG TRP A 170 -3.422 0.888 -10.851 1.00 0.00 C ATOM 589 CD1 TRP A 170 -4.219 1.321 -11.838 1.00 0.00 C ATOM 590 CD2 TRP A 170 -4.133 1.175 -9.629 1.00 0.00 C ATOM 591 NE1 TRP A 170 -5.387 1.863 -11.342 1.00 0.00 N ATOM 592 CE2 TRP A 170 -5.333 1.772 -9.957 1.00 0.00 C ATOM 593 CE3 TRP A 170 -3.774 0.937 -8.290 1.00 0.00 C ATOM 594 CZ2 TRP A 170 -6.271 2.182 -9.002 1.00 0.00 C ATOM 595 CZ3 TRP A 170 -4.723 1.353 -7.348 1.00 0.00 C ATOM 596 CH2 TRP A 170 -5.935 1.955 -7.662 1.00 0.00 C ATOM 0 H TRP A 170 -3.133 -1.722 -12.419 1.00 0.00 H new ATOM 0 HA TRP A 170 -1.514 0.720 -12.946 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -2.016 -0.646 -10.321 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -1.288 0.922 -10.613 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -3.978 1.254 -12.889 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -6.150 2.258 -11.892 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -2.841 0.471 -8.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -7.204 2.648 -9.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -4.497 1.195 -6.304 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.615 2.247 -6.876 1.00 0.00 H new ATOM 607 N ASN A 171 0.715 -0.383 -12.341 1.00 0.00 N ATOM 608 CA ASN A 171 1.999 -1.062 -12.383 1.00 0.00 C ATOM 609 C ASN A 171 2.424 -1.428 -10.959 1.00 0.00 C ATOM 610 O ASN A 171 2.722 -0.549 -10.152 1.00 0.00 O ATOM 611 CB ASN A 171 3.081 -0.162 -12.983 1.00 0.00 C ATOM 612 CG ASN A 171 3.893 -0.911 -14.041 1.00 0.00 C ATOM 613 OD1 ASN A 171 4.577 -1.882 -13.763 1.00 0.00 O ATOM 614 ND2 ASN A 171 3.780 -0.407 -15.267 1.00 0.00 N ATOM 0 H ASN A 171 0.771 0.628 -12.216 1.00 0.00 H new ATOM 0 HA ASN A 171 1.889 -1.953 -13.002 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.620 0.719 -13.430 1.00 0.00 H new ATOM 0 HB3 ASN A 171 3.744 0.191 -12.193 1.00 0.00 H new ATOM 0 HD21 ASN A 171 4.284 -0.836 -16.043 1.00 0.00 H new ATOM 0 HD22 ASN A 171 3.190 0.409 -15.431 1.00 0.00 H new ATOM 621 N ALA A 172 2.439 -2.727 -10.696 1.00 0.00 N ATOM 622 CA ALA A 172 2.823 -3.219 -9.384 1.00 0.00 C ATOM 623 C ALA A 172 3.782 -4.400 -9.548 1.00 0.00 C ATOM 624 O ALA A 172 3.885 -4.974 -10.630 1.00 0.00 O ATOM 625 CB ALA A 172 1.569 -3.592 -8.591 1.00 0.00 C ATOM 0 H ALA A 172 2.192 -3.453 -11.369 1.00 0.00 H new ATOM 0 HA ALA A 172 3.346 -2.445 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 172 1.857 -3.961 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 172 0.935 -2.712 -8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 172 1.020 -4.369 -9.123 1.00 0.00 H new ATOM 631 N GLU A 173 4.458 -4.729 -8.457 1.00 0.00 N ATOM 632 CA GLU A 173 5.405 -5.831 -8.466 1.00 0.00 C ATOM 633 C GLU A 173 4.730 -7.113 -7.972 1.00 0.00 C ATOM 634 O GLU A 173 3.721 -7.057 -7.272 1.00 0.00 O ATOM 635 CB GLU A 173 6.639 -5.501 -7.624 1.00 0.00 C ATOM 636 CG GLU A 173 7.620 -4.630 -8.410 1.00 0.00 C ATOM 637 CD GLU A 173 7.342 -3.143 -8.175 1.00 0.00 C ATOM 638 OE1 GLU A 173 6.747 -2.836 -7.121 1.00 0.00 O ATOM 639 OE2 GLU A 173 7.733 -2.347 -9.056 1.00 0.00 O ATOM 0 H GLU A 173 4.369 -4.251 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 173 5.739 -5.990 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 173 6.335 -4.983 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 173 7.132 -6.423 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 173 8.641 -4.865 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 173 7.540 -4.855 -9.474 1.00 0.00 H new ATOM 646 N ASP A 174 5.317 -8.237 -8.356 1.00 0.00 N ATOM 647 CA ASP A 174 4.786 -9.531 -7.961 1.00 0.00 C ATOM 648 C ASP A 174 5.428 -9.959 -6.640 1.00 0.00 C ATOM 649 O ASP A 174 5.938 -9.124 -5.895 1.00 0.00 O ATOM 650 CB ASP A 174 5.103 -10.599 -9.009 1.00 0.00 C ATOM 651 CG ASP A 174 3.901 -11.419 -9.480 1.00 0.00 C ATOM 652 OD1 ASP A 174 2.772 -10.895 -9.358 1.00 0.00 O ATOM 653 OD2 ASP A 174 4.135 -12.552 -9.953 1.00 0.00 O ATOM 0 H ASP A 174 6.155 -8.279 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 174 3.705 -9.435 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 174 5.555 -10.114 -9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 174 5.849 -11.279 -8.599 1.00 0.00 H new ATOM 658 N SER A 175 5.382 -11.259 -6.391 1.00 0.00 N ATOM 659 CA SER A 175 5.953 -11.809 -5.172 1.00 0.00 C ATOM 660 C SER A 175 7.457 -12.025 -5.351 1.00 0.00 C ATOM 661 O SER A 175 8.099 -12.662 -4.517 1.00 0.00 O ATOM 662 CB SER A 175 5.270 -13.122 -4.787 1.00 0.00 C ATOM 663 OG SER A 175 3.969 -12.908 -4.245 1.00 0.00 O ATOM 0 H SER A 175 4.958 -11.948 -7.012 1.00 0.00 H new ATOM 0 HA SER A 175 5.788 -11.096 -4.365 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.196 -13.763 -5.665 1.00 0.00 H new ATOM 0 HB3 SER A 175 5.884 -13.650 -4.058 1.00 0.00 H new ATOM 0 HG SER A 175 3.313 -13.428 -4.754 1.00 0.00 H new ATOM 669 N GLU A 176 7.974 -11.484 -6.444 1.00 0.00 N ATOM 670 CA GLU A 176 9.392 -11.610 -6.742 1.00 0.00 C ATOM 671 C GLU A 176 9.969 -10.256 -7.158 1.00 0.00 C ATOM 672 O GLU A 176 11.175 -10.127 -7.359 1.00 0.00 O ATOM 673 CB GLU A 176 9.632 -12.665 -7.825 1.00 0.00 C ATOM 674 CG GLU A 176 9.306 -14.067 -7.306 1.00 0.00 C ATOM 675 CD GLU A 176 9.703 -15.135 -8.327 1.00 0.00 C ATOM 676 OE1 GLU A 176 10.917 -15.228 -8.609 1.00 0.00 O ATOM 677 OE2 GLU A 176 8.782 -15.834 -8.803 1.00 0.00 O ATOM 0 H GLU A 176 7.438 -10.958 -7.134 1.00 0.00 H new ATOM 0 HA GLU A 176 9.906 -11.940 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 176 9.016 -12.444 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 176 10.671 -12.627 -8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 176 9.832 -14.243 -6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 176 8.240 -14.141 -7.093 1.00 0.00 H new ATOM 684 N GLY A 177 9.080 -9.280 -7.274 1.00 0.00 N ATOM 685 CA GLY A 177 9.487 -7.940 -7.663 1.00 0.00 C ATOM 686 C GLY A 177 9.067 -7.636 -9.103 1.00 0.00 C ATOM 687 O GLY A 177 9.026 -6.476 -9.509 1.00 0.00 O ATOM 0 H GLY A 177 8.080 -9.390 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 177 9.040 -7.210 -6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 177 10.568 -7.842 -7.567 1.00 0.00 H new ATOM 691 N LYS A 178 8.766 -8.698 -9.835 1.00 0.00 N ATOM 692 CA LYS A 178 8.350 -8.559 -11.220 1.00 0.00 C ATOM 693 C LYS A 178 7.367 -7.393 -11.339 1.00 0.00 C ATOM 694 O LYS A 178 6.231 -7.485 -10.875 1.00 0.00 O ATOM 695 CB LYS A 178 7.800 -9.885 -11.750 1.00 0.00 C ATOM 696 CG LYS A 178 8.933 -10.871 -12.043 1.00 0.00 C ATOM 697 CD LYS A 178 8.755 -11.517 -13.418 1.00 0.00 C ATOM 698 CE LYS A 178 8.500 -13.020 -13.287 1.00 0.00 C ATOM 699 NZ LYS A 178 9.307 -13.771 -14.275 1.00 0.00 N ATOM 0 H LYS A 178 8.802 -9.659 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 178 9.205 -8.320 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 178 7.117 -10.317 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 178 7.224 -9.707 -12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 178 9.891 -10.352 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 178 8.956 -11.644 -11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 178 7.921 -11.047 -13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 178 9.646 -11.347 -14.022 1.00 0.00 H new ATOM 0 HE2 LYS A 178 8.749 -13.351 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 178 7.441 -13.230 -13.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 9.122 -14.789 -14.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 9.050 -13.467 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 10.317 -13.585 -14.112 1.00 0.00 H new ATOM 713 N ARG A 179 7.838 -6.324 -11.963 1.00 0.00 N ATOM 714 CA ARG A 179 7.014 -5.142 -12.148 1.00 0.00 C ATOM 715 C ARG A 179 6.268 -5.219 -13.482 1.00 0.00 C ATOM 716 O ARG A 179 6.887 -5.354 -14.537 1.00 0.00 O ATOM 717 CB ARG A 179 7.863 -3.868 -12.119 1.00 0.00 C ATOM 718 CG ARG A 179 9.084 -4.045 -11.214 1.00 0.00 C ATOM 719 CD ARG A 179 10.308 -3.341 -11.804 1.00 0.00 C ATOM 720 NE ARG A 179 11.519 -4.166 -11.589 1.00 0.00 N ATOM 721 CZ ARG A 179 12.768 -3.682 -11.593 1.00 0.00 C ATOM 722 NH1 ARG A 179 12.980 -2.376 -11.801 1.00 0.00 N ATOM 723 NH2 ARG A 179 13.806 -4.505 -11.388 1.00 0.00 N ATOM 0 H ARG A 179 8.780 -6.252 -12.347 1.00 0.00 H new ATOM 0 HA ARG A 179 6.297 -5.106 -11.328 1.00 0.00 H new ATOM 0 HB2 ARG A 179 8.187 -3.620 -13.129 1.00 0.00 H new ATOM 0 HB3 ARG A 179 7.260 -3.033 -11.763 1.00 0.00 H new ATOM 0 HG2 ARG A 179 8.870 -3.642 -10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 179 9.296 -5.106 -11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.160 -3.169 -12.870 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.436 -2.364 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 179 11.394 -5.165 -11.428 1.00 0.00 H new ATOM 0 HH11 ARG A 179 12.190 -1.750 -11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 179 13.931 -2.008 -11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 179 13.645 -5.500 -11.229 1.00 0.00 H new ATOM 0 HH22 ARG A 179 14.757 -4.137 -11.391 1.00 0.00 H new ATOM 737 N GLY A 180 4.949 -5.128 -13.392 1.00 0.00 N ATOM 738 CA GLY A 180 4.113 -5.185 -14.578 1.00 0.00 C ATOM 739 C GLY A 180 2.758 -4.521 -14.326 1.00 0.00 C ATOM 740 O GLY A 180 2.601 -3.765 -13.369 1.00 0.00 O ATOM 0 H GLY A 180 4.439 -5.015 -12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 180 4.617 -4.688 -15.407 1.00 0.00 H new ATOM 0 HA3 GLY A 180 3.964 -6.224 -14.873 1.00 0.00 H new ATOM 744 N MET A 181 1.812 -4.827 -15.203 1.00 0.00 N ATOM 745 CA MET A 181 0.475 -4.269 -15.087 1.00 0.00 C ATOM 746 C MET A 181 -0.510 -5.312 -14.559 1.00 0.00 C ATOM 747 O MET A 181 -0.695 -6.363 -15.171 1.00 0.00 O ATOM 748 CB MET A 181 0.009 -3.774 -16.458 1.00 0.00 C ATOM 749 CG MET A 181 0.953 -2.700 -17.004 1.00 0.00 C ATOM 750 SD MET A 181 0.400 -2.163 -18.614 1.00 0.00 S ATOM 751 CE MET A 181 -1.346 -1.976 -18.297 1.00 0.00 C ATOM 0 H MET A 181 1.945 -5.454 -15.996 1.00 0.00 H new ATOM 0 HA MET A 181 0.507 -3.438 -14.382 1.00 0.00 H new ATOM 0 HB2 MET A 181 -0.037 -4.611 -17.155 1.00 0.00 H new ATOM 0 HB3 MET A 181 -1.000 -3.370 -16.379 1.00 0.00 H new ATOM 0 HG2 MET A 181 0.986 -1.852 -16.320 1.00 0.00 H new ATOM 0 HG3 MET A 181 1.967 -3.095 -17.072 1.00 0.00 H new ATOM 0 HE1 MET A 181 -1.806 -1.415 -19.111 1.00 0.00 H new ATOM 0 HE2 MET A 181 -1.810 -2.960 -18.227 1.00 0.00 H new ATOM 0 HE3 MET A 181 -1.490 -1.439 -17.360 1.00 0.00 H new ATOM 761 N ILE A 182 -1.117 -4.986 -13.427 1.00 0.00 N ATOM 762 CA ILE A 182 -2.080 -5.881 -12.809 1.00 0.00 C ATOM 763 C ILE A 182 -3.428 -5.170 -12.688 1.00 0.00 C ATOM 764 O ILE A 182 -3.480 -3.947 -12.565 1.00 0.00 O ATOM 765 CB ILE A 182 -1.542 -6.409 -11.477 1.00 0.00 C ATOM 766 CG1 ILE A 182 -1.175 -5.258 -10.539 1.00 0.00 C ATOM 767 CG2 ILE A 182 -0.366 -7.363 -11.700 1.00 0.00 C ATOM 768 CD1 ILE A 182 -2.312 -4.968 -9.556 1.00 0.00 C ATOM 0 H ILE A 182 -0.960 -4.114 -12.922 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.238 -6.760 -13.434 1.00 0.00 H new ATOM 0 HB ILE A 182 -2.333 -6.980 -10.992 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -0.268 -5.508 -9.988 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -0.957 -4.364 -11.123 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -0.003 -7.724 -10.738 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -0.693 -8.209 -12.304 1.00 0.00 H new ATOM 0 HG23 ILE A 182 0.437 -6.837 -12.217 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -2.025 -4.146 -8.901 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -3.211 -4.695 -10.109 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -2.511 -5.857 -8.957 1.00 0.00 H new ATOM 780 N PRO A 183 -4.515 -5.986 -12.728 1.00 0.00 N ATOM 781 CA PRO A 183 -5.860 -5.448 -12.626 1.00 0.00 C ATOM 782 C PRO A 183 -6.179 -5.038 -11.186 1.00 0.00 C ATOM 783 O PRO A 183 -5.951 -5.808 -10.253 1.00 0.00 O ATOM 784 CB PRO A 183 -6.767 -6.552 -13.144 1.00 0.00 C ATOM 785 CG PRO A 183 -5.945 -7.829 -13.081 1.00 0.00 C ATOM 786 CD PRO A 183 -4.491 -7.439 -12.873 1.00 0.00 C ATOM 0 HA PRO A 183 -5.993 -4.536 -13.208 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.667 -6.636 -12.535 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.091 -6.345 -14.164 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -6.290 -8.465 -12.266 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -6.058 -8.402 -14.002 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -4.075 -7.919 -11.987 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.874 -7.743 -13.719 1.00 0.00 H new ATOM 794 N VAL A 184 -6.699 -3.828 -11.050 1.00 0.00 N ATOM 795 CA VAL A 184 -7.051 -3.307 -9.739 1.00 0.00 C ATOM 796 C VAL A 184 -8.329 -3.990 -9.251 1.00 0.00 C ATOM 797 O VAL A 184 -8.538 -4.138 -8.048 1.00 0.00 O ATOM 798 CB VAL A 184 -7.171 -1.784 -9.797 1.00 0.00 C ATOM 799 CG1 VAL A 184 -7.773 -1.232 -8.503 1.00 0.00 C ATOM 800 CG2 VAL A 184 -5.815 -1.137 -10.089 1.00 0.00 C ATOM 0 H VAL A 184 -6.886 -3.192 -11.826 1.00 0.00 H new ATOM 0 HA VAL A 184 -6.267 -3.530 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 184 -7.846 -1.533 -10.615 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -7.847 -0.147 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -8.766 -1.655 -8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -7.135 -1.500 -7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -5.929 -0.054 -10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -5.109 -1.402 -9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -5.440 -1.494 -11.048 1.00 0.00 H new ATOM 810 N PRO A 185 -9.176 -4.397 -10.235 1.00 0.00 N ATOM 811 CA PRO A 185 -10.429 -5.060 -9.917 1.00 0.00 C ATOM 812 C PRO A 185 -10.189 -6.506 -9.478 1.00 0.00 C ATOM 813 O PRO A 185 -11.046 -7.116 -8.842 1.00 0.00 O ATOM 814 CB PRO A 185 -11.262 -4.955 -11.184 1.00 0.00 C ATOM 815 CG PRO A 185 -10.280 -4.652 -12.304 1.00 0.00 C ATOM 816 CD PRO A 185 -8.962 -4.237 -11.670 1.00 0.00 C ATOM 0 HA PRO A 185 -10.947 -4.599 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -11.799 -5.884 -11.376 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -12.009 -4.167 -11.096 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -10.140 -5.529 -12.936 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -10.663 -3.856 -12.943 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -8.140 -4.861 -12.020 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -8.709 -3.207 -11.920 1.00 0.00 H new ATOM 824 N TYR A 186 -9.017 -7.011 -9.835 1.00 0.00 N ATOM 825 CA TYR A 186 -8.653 -8.374 -9.487 1.00 0.00 C ATOM 826 C TYR A 186 -7.761 -8.403 -8.243 1.00 0.00 C ATOM 827 O TYR A 186 -7.370 -9.472 -7.780 1.00 0.00 O ATOM 828 CB TYR A 186 -7.863 -8.918 -10.679 1.00 0.00 C ATOM 829 CG TYR A 186 -8.730 -9.291 -11.882 1.00 0.00 C ATOM 830 CD1 TYR A 186 -9.517 -8.332 -12.488 1.00 0.00 C ATOM 831 CD2 TYR A 186 -8.726 -10.585 -12.362 1.00 0.00 C ATOM 832 CE1 TYR A 186 -10.334 -8.683 -13.622 1.00 0.00 C ATOM 833 CE2 TYR A 186 -9.543 -10.935 -13.495 1.00 0.00 C ATOM 834 CZ TYR A 186 -10.306 -9.967 -14.069 1.00 0.00 C ATOM 835 OH TYR A 186 -11.077 -10.298 -15.139 1.00 0.00 O ATOM 0 H TYR A 186 -8.308 -6.501 -10.361 1.00 0.00 H new ATOM 0 HA TYR A 186 -9.543 -8.965 -9.271 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -7.132 -8.171 -10.989 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -7.304 -9.798 -10.360 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -9.520 -7.319 -12.112 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -8.110 -11.335 -11.888 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -10.954 -7.943 -14.106 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -9.550 -11.944 -13.880 1.00 0.00 H new ATOM 0 HH TYR A 186 -10.956 -11.248 -15.348 1.00 0.00 H new ATOM 845 N VAL A 187 -7.466 -7.213 -7.739 1.00 0.00 N ATOM 846 CA VAL A 187 -6.628 -7.088 -6.558 1.00 0.00 C ATOM 847 C VAL A 187 -7.259 -6.080 -5.596 1.00 0.00 C ATOM 848 O VAL A 187 -8.032 -5.219 -6.011 1.00 0.00 O ATOM 849 CB VAL A 187 -5.201 -6.713 -6.967 1.00 0.00 C ATOM 850 CG1 VAL A 187 -4.677 -7.654 -8.053 1.00 0.00 C ATOM 851 CG2 VAL A 187 -5.128 -5.254 -7.422 1.00 0.00 C ATOM 0 H VAL A 187 -7.792 -6.328 -8.127 1.00 0.00 H new ATOM 0 HA VAL A 187 -6.562 -8.041 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 187 -4.561 -6.823 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -3.662 -7.366 -8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.675 -8.677 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.320 -7.590 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.104 -5.013 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.787 -5.106 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -5.441 -4.602 -6.606 1.00 0.00 H new ATOM 861 N GLU A 188 -6.904 -6.221 -4.327 1.00 0.00 N ATOM 862 CA GLU A 188 -7.426 -5.334 -3.301 1.00 0.00 C ATOM 863 C GLU A 188 -6.328 -4.388 -2.809 1.00 0.00 C ATOM 864 O GLU A 188 -5.153 -4.585 -3.112 1.00 0.00 O ATOM 865 CB GLU A 188 -8.025 -6.130 -2.139 1.00 0.00 C ATOM 866 CG GLU A 188 -6.941 -6.548 -1.145 1.00 0.00 C ATOM 867 CD GLU A 188 -6.762 -5.491 -0.053 1.00 0.00 C ATOM 868 OE1 GLU A 188 -7.756 -4.785 0.222 1.00 0.00 O ATOM 869 OE2 GLU A 188 -5.634 -5.412 0.482 1.00 0.00 O ATOM 0 H GLU A 188 -6.261 -6.936 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 188 -8.226 -4.736 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -8.777 -5.527 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -8.532 -7.015 -2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -7.207 -7.503 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -5.998 -6.696 -1.671 1.00 0.00 H new ATOM 876 N LYS A 189 -6.752 -3.382 -2.058 1.00 0.00 N ATOM 877 CA LYS A 189 -5.819 -2.405 -1.522 1.00 0.00 C ATOM 878 C LYS A 189 -5.263 -2.916 -0.190 1.00 0.00 C ATOM 879 O LYS A 189 -6.006 -3.083 0.775 1.00 0.00 O ATOM 880 CB LYS A 189 -6.482 -1.030 -1.423 1.00 0.00 C ATOM 881 CG LYS A 189 -6.309 -0.244 -2.724 1.00 0.00 C ATOM 882 CD LYS A 189 -7.605 -0.237 -3.537 1.00 0.00 C ATOM 883 CE LYS A 189 -7.795 1.100 -4.256 1.00 0.00 C ATOM 884 NZ LYS A 189 -8.359 2.110 -3.332 1.00 0.00 N ATOM 0 H LYS A 189 -7.728 -3.222 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 189 -4.971 -2.278 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -7.543 -1.149 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -6.046 -0.471 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -6.012 0.780 -2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -5.507 -0.685 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -7.585 -1.047 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -8.453 -0.423 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -6.839 1.449 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -8.459 0.969 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -8.482 3.011 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -9.281 1.782 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -7.711 2.247 -2.530 1.00 0.00 H new ATOM 898 N TYR A 190 -3.958 -3.150 -0.182 1.00 0.00 N ATOM 899 CA TYR A 190 -3.293 -3.638 1.014 1.00 0.00 C ATOM 900 C TYR A 190 -2.426 -2.546 1.643 1.00 0.00 C ATOM 901 O TYR A 190 -2.301 -2.477 2.865 1.00 0.00 O ATOM 902 CB TYR A 190 -2.392 -4.787 0.556 1.00 0.00 C ATOM 903 CG TYR A 190 -1.854 -5.650 1.699 1.00 0.00 C ATOM 904 CD1 TYR A 190 -0.962 -5.114 2.606 1.00 0.00 C ATOM 905 CD2 TYR A 190 -2.260 -6.963 1.823 1.00 0.00 C ATOM 906 CE1 TYR A 190 -0.454 -5.925 3.682 1.00 0.00 C ATOM 907 CE2 TYR A 190 -1.753 -7.774 2.899 1.00 0.00 C ATOM 908 CZ TYR A 190 -0.875 -7.216 3.776 1.00 0.00 C ATOM 909 OH TYR A 190 -0.396 -7.982 4.792 1.00 0.00 O ATOM 0 H TYR A 190 -3.344 -3.011 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 190 -4.024 -3.951 1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 190 -2.951 -5.421 -0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 190 -1.551 -4.375 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 190 -0.645 -4.086 2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 190 -2.958 -7.382 1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 190 0.245 -5.518 4.398 1.00 0.00 H new ATOM 0 HE2 TYR A 190 -2.063 -8.803 3.008 1.00 0.00 H new ATOM 0 HH TYR A 190 -0.783 -8.880 4.735 1.00 0.00 H new ATOM 919 N GLY A 191 -1.851 -1.721 0.781 1.00 0.00 N ATOM 920 CA GLY A 191 -1.000 -0.636 1.239 1.00 0.00 C ATOM 921 C GLY A 191 0.468 -0.917 0.915 1.00 0.00 C ATOM 922 O GLY A 191 0.930 -2.050 1.044 1.00 0.00 O ATOM 0 H GLY A 191 -1.957 -1.782 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -1.308 0.297 0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 191 -1.120 -0.504 2.314 1.00 0.00 H new TER 926 GLY A 191