USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 401 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 78:sc= -3.82! USER MOD Single : A 136 TYR OH : rot 180:sc= 0 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= -1.27 K(o=-1.3,f=-6!) USER MOD Single : A 171 ASN : amide:sc=-0.00746 X(o=-0.0075,f=-0.12) USER MOD Single : A 175 SER OG : rot 98:sc= 0.349 USER MOD Single : A 178 LYS NZ :NH3+ 149:sc= -0.172 (180deg=-1.43) USER MOD Single : A 181 MET CE :methyl 177:sc= -3.94 (180deg=-4) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.151) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 135 0.591 0.276 -0.724 1.00 0.00 N ATOM 2 CA CYS A 135 1.908 -0.063 -1.232 1.00 0.00 C ATOM 3 C CYS A 135 1.886 -1.522 -1.695 1.00 0.00 C ATOM 4 O CYS A 135 2.892 -2.041 -2.174 1.00 0.00 O ATOM 5 CB CYS A 135 3.000 0.187 -0.189 1.00 0.00 C ATOM 6 SG CYS A 135 2.855 -1.029 1.171 1.00 0.00 S ATOM 0 HA CYS A 135 2.149 0.582 -2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 135 3.983 0.110 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 135 2.913 1.199 0.206 1.00 0.00 H new ATOM 0 HG CYS A 135 3.342 -2.171 0.786 1.00 0.00 H new ATOM 12 N TYR A 136 0.725 -2.140 -1.535 1.00 0.00 N ATOM 13 CA TYR A 136 0.557 -3.529 -1.931 1.00 0.00 C ATOM 14 C TYR A 136 -0.885 -3.806 -2.361 1.00 0.00 C ATOM 15 O TYR A 136 -1.802 -3.084 -1.972 1.00 0.00 O ATOM 16 CB TYR A 136 0.875 -4.362 -0.687 1.00 0.00 C ATOM 17 CG TYR A 136 2.291 -4.159 -0.147 1.00 0.00 C ATOM 18 CD1 TYR A 136 3.372 -4.223 -1.003 1.00 0.00 C ATOM 19 CD2 TYR A 136 2.489 -3.912 1.196 1.00 0.00 C ATOM 20 CE1 TYR A 136 4.706 -4.032 -0.495 1.00 0.00 C ATOM 21 CE2 TYR A 136 3.823 -3.720 1.704 1.00 0.00 C ATOM 22 CZ TYR A 136 4.865 -3.790 0.834 1.00 0.00 C ATOM 23 OH TYR A 136 6.125 -3.610 1.314 1.00 0.00 O ATOM 0 H TYR A 136 -0.108 -1.706 -1.137 1.00 0.00 H new ATOM 0 HA TYR A 136 1.206 -3.770 -2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 136 0.159 -4.113 0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 136 0.735 -5.417 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 136 3.217 -4.416 -2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 136 1.644 -3.863 1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 136 5.560 -4.080 -1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 136 3.992 -3.525 2.753 1.00 0.00 H new ATOM 0 HH TYR A 136 6.087 -3.445 2.279 1.00 0.00 H new ATOM 33 N VAL A 137 -1.039 -4.853 -3.158 1.00 0.00 N ATOM 34 CA VAL A 137 -2.354 -5.233 -3.646 1.00 0.00 C ATOM 35 C VAL A 137 -2.508 -6.752 -3.549 1.00 0.00 C ATOM 36 O VAL A 137 -1.584 -7.496 -3.875 1.00 0.00 O ATOM 37 CB VAL A 137 -2.561 -4.701 -5.066 1.00 0.00 C ATOM 38 CG1 VAL A 137 -2.383 -3.183 -5.112 1.00 0.00 C ATOM 39 CG2 VAL A 137 -1.619 -5.394 -6.054 1.00 0.00 C ATOM 0 H VAL A 137 -0.276 -5.450 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.134 -4.786 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.585 -4.928 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.535 -2.830 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.111 -2.711 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.376 -2.925 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.787 -4.998 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.585 -5.212 -5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.814 -6.466 -6.051 1.00 0.00 H new ATOM 49 N ARG A 138 -3.684 -7.169 -3.100 1.00 0.00 N ATOM 50 CA ARG A 138 -3.971 -8.585 -2.956 1.00 0.00 C ATOM 51 C ARG A 138 -4.829 -9.074 -4.125 1.00 0.00 C ATOM 52 O ARG A 138 -5.997 -8.706 -4.240 1.00 0.00 O ATOM 53 CB ARG A 138 -4.703 -8.869 -1.643 1.00 0.00 C ATOM 54 CG ARG A 138 -4.399 -10.280 -1.139 1.00 0.00 C ATOM 55 CD ARG A 138 -5.221 -10.606 0.110 1.00 0.00 C ATOM 56 NE ARG A 138 -4.399 -11.375 1.071 1.00 0.00 N ATOM 57 CZ ARG A 138 -4.905 -12.133 2.053 1.00 0.00 C ATOM 58 NH1 ARG A 138 -6.232 -12.228 2.211 1.00 0.00 N ATOM 59 NH2 ARG A 138 -4.083 -12.797 2.878 1.00 0.00 N ATOM 0 H ARG A 138 -4.449 -6.550 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 138 -3.019 -9.117 -2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -4.405 -8.138 -0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -5.777 -8.755 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -4.619 -11.005 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -3.336 -10.368 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -5.572 -9.685 0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -6.105 -11.181 -0.166 1.00 0.00 H new ATOM 0 HE ARG A 138 -3.384 -11.325 0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -6.858 -11.723 1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -6.617 -12.805 2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -3.073 -12.725 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -4.468 -13.374 3.626 1.00 0.00 H new ATOM 73 N ALA A 139 -4.216 -9.897 -4.964 1.00 0.00 N ATOM 74 CA ALA A 139 -4.907 -10.442 -6.119 1.00 0.00 C ATOM 75 C ALA A 139 -5.770 -11.626 -5.681 1.00 0.00 C ATOM 76 O ALA A 139 -5.247 -12.676 -5.312 1.00 0.00 O ATOM 77 CB ALA A 139 -3.886 -10.828 -7.191 1.00 0.00 C ATOM 0 H ALA A 139 -3.247 -10.199 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.570 -9.696 -6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -4.405 -11.237 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.321 -9.945 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -3.203 -11.577 -6.790 1.00 0.00 H new ATOM 83 N LEU A 140 -7.077 -11.417 -5.736 1.00 0.00 N ATOM 84 CA LEU A 140 -8.018 -12.456 -5.349 1.00 0.00 C ATOM 85 C LEU A 140 -8.332 -13.332 -6.564 1.00 0.00 C ATOM 86 O LEU A 140 -9.339 -14.039 -6.580 1.00 0.00 O ATOM 87 CB LEU A 140 -9.258 -11.840 -4.698 1.00 0.00 C ATOM 88 CG LEU A 140 -9.840 -10.608 -5.394 1.00 0.00 C ATOM 89 CD1 LEU A 140 -9.107 -9.337 -4.960 1.00 0.00 C ATOM 90 CD2 LEU A 140 -9.833 -10.784 -6.914 1.00 0.00 C ATOM 0 H LEU A 140 -7.507 -10.544 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.578 -13.106 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -10.034 -12.604 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.009 -11.569 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 140 -10.880 -10.500 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -9.540 -8.476 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -9.207 -9.209 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -8.052 -9.419 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -10.252 -9.895 -7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.809 -10.929 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -10.433 -11.653 -7.182 1.00 0.00 H new ATOM 102 N PHE A 141 -7.452 -13.256 -7.551 1.00 0.00 N ATOM 103 CA PHE A 141 -7.623 -14.032 -8.767 1.00 0.00 C ATOM 104 C PHE A 141 -6.278 -14.555 -9.277 1.00 0.00 C ATOM 105 O PHE A 141 -5.227 -14.185 -8.758 1.00 0.00 O ATOM 106 CB PHE A 141 -8.224 -13.095 -9.816 1.00 0.00 C ATOM 107 CG PHE A 141 -9.459 -13.660 -10.521 1.00 0.00 C ATOM 108 CD1 PHE A 141 -9.317 -14.394 -11.657 1.00 0.00 C ATOM 109 CD2 PHE A 141 -10.698 -13.429 -10.011 1.00 0.00 C ATOM 110 CE1 PHE A 141 -10.464 -14.918 -12.312 1.00 0.00 C ATOM 111 CE2 PHE A 141 -11.844 -13.953 -10.665 1.00 0.00 C ATOM 112 CZ PHE A 141 -11.703 -14.687 -11.802 1.00 0.00 C ATOM 0 H PHE A 141 -6.618 -12.669 -7.533 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.266 -14.890 -8.573 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.491 -12.153 -9.337 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.464 -12.868 -10.563 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.333 -14.579 -12.061 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -10.810 -12.847 -9.108 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -10.352 -15.500 -13.215 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -12.828 -13.769 -10.260 1.00 0.00 H new ATOM 0 HZ PHE A 141 -12.575 -15.086 -12.299 1.00 0.00 H new ATOM 122 N ASP A 142 -6.356 -15.407 -10.290 1.00 0.00 N ATOM 123 CA ASP A 142 -5.159 -15.984 -10.876 1.00 0.00 C ATOM 124 C ASP A 142 -4.950 -15.401 -12.276 1.00 0.00 C ATOM 125 O ASP A 142 -5.900 -14.944 -12.909 1.00 0.00 O ATOM 126 CB ASP A 142 -5.287 -17.502 -11.011 1.00 0.00 C ATOM 127 CG ASP A 142 -4.478 -18.121 -12.152 1.00 0.00 C ATOM 128 OD1 ASP A 142 -3.303 -18.460 -11.896 1.00 0.00 O ATOM 129 OD2 ASP A 142 -5.054 -18.242 -13.256 1.00 0.00 O ATOM 0 H ASP A 142 -7.230 -15.711 -10.719 1.00 0.00 H new ATOM 0 HA ASP A 142 -4.318 -15.750 -10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -4.975 -17.962 -10.073 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -6.338 -17.751 -11.154 1.00 0.00 H new ATOM 134 N PHE A 143 -3.700 -15.436 -12.716 1.00 0.00 N ATOM 135 CA PHE A 143 -3.355 -14.916 -14.027 1.00 0.00 C ATOM 136 C PHE A 143 -1.881 -15.175 -14.349 1.00 0.00 C ATOM 137 O PHE A 143 -0.999 -14.499 -13.823 1.00 0.00 O ATOM 138 CB PHE A 143 -3.598 -13.406 -13.990 1.00 0.00 C ATOM 139 CG PHE A 143 -3.465 -12.720 -15.351 1.00 0.00 C ATOM 140 CD1 PHE A 143 -4.435 -12.881 -16.291 1.00 0.00 C ATOM 141 CD2 PHE A 143 -2.378 -11.949 -15.621 1.00 0.00 C ATOM 142 CE1 PHE A 143 -4.311 -12.244 -17.554 1.00 0.00 C ATOM 143 CE2 PHE A 143 -2.254 -11.313 -16.884 1.00 0.00 C ATOM 144 CZ PHE A 143 -3.224 -11.474 -17.824 1.00 0.00 C ATOM 0 H PHE A 143 -2.915 -15.816 -12.187 1.00 0.00 H new ATOM 0 HA PHE A 143 -3.959 -15.406 -14.791 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -4.597 -13.219 -13.597 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.892 -12.952 -13.295 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -5.299 -13.493 -16.077 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -1.609 -11.820 -14.874 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -5.081 -12.371 -18.301 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -1.390 -10.702 -17.099 1.00 0.00 H new ATOM 0 HZ PHE A 143 -3.130 -10.990 -18.785 1.00 0.00 H new ATOM 243 N LEU A 151 0.987 -8.295 -15.649 1.00 0.00 N ATOM 244 CA LEU A 151 1.652 -8.872 -14.494 1.00 0.00 C ATOM 245 C LEU A 151 0.902 -10.132 -14.055 1.00 0.00 C ATOM 246 O LEU A 151 -0.252 -10.057 -13.635 1.00 0.00 O ATOM 247 CB LEU A 151 1.802 -7.829 -13.384 1.00 0.00 C ATOM 248 CG LEU A 151 2.715 -8.214 -12.219 1.00 0.00 C ATOM 249 CD1 LEU A 151 4.170 -8.329 -12.678 1.00 0.00 C ATOM 250 CD2 LEU A 151 2.558 -7.237 -11.052 1.00 0.00 C ATOM 0 HA LEU A 151 2.666 -9.177 -14.753 1.00 0.00 H new ATOM 0 HB2 LEU A 151 2.181 -6.908 -13.827 1.00 0.00 H new ATOM 0 HB3 LEU A 151 0.812 -7.607 -12.985 1.00 0.00 H new ATOM 0 HG LEU A 151 2.412 -9.197 -11.858 1.00 0.00 H new ATOM 0 HD11 LEU A 151 4.798 -8.604 -11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 151 4.248 -9.094 -13.451 1.00 0.00 H new ATOM 0 HD13 LEU A 151 4.501 -7.372 -13.080 1.00 0.00 H new ATOM 0 HD21 LEU A 151 3.218 -7.534 -10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 151 2.819 -6.231 -11.382 1.00 0.00 H new ATOM 0 HD23 LEU A 151 1.525 -7.249 -10.704 1.00 0.00 H new ATOM 262 N PRO A 152 1.606 -11.289 -14.171 1.00 0.00 N ATOM 263 CA PRO A 152 1.019 -12.564 -13.791 1.00 0.00 C ATOM 264 C PRO A 152 0.964 -12.709 -12.269 1.00 0.00 C ATOM 265 O PRO A 152 1.713 -12.051 -11.550 1.00 0.00 O ATOM 266 CB PRO A 152 1.894 -13.614 -14.456 1.00 0.00 C ATOM 267 CG PRO A 152 3.200 -12.913 -14.796 1.00 0.00 C ATOM 268 CD PRO A 152 2.975 -11.416 -14.664 1.00 0.00 C ATOM 0 HA PRO A 152 -0.017 -12.664 -14.116 1.00 0.00 H new ATOM 0 HB2 PRO A 152 2.066 -14.459 -13.789 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.417 -14.009 -15.353 1.00 0.00 H new ATOM 0 HG2 PRO A 152 3.994 -13.240 -14.125 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.515 -13.164 -15.809 1.00 0.00 H new ATOM 0 HD2 PRO A 152 3.688 -10.968 -13.972 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.099 -10.911 -15.622 1.00 0.00 H new ATOM 276 N PHE A 153 0.066 -13.577 -11.822 1.00 0.00 N ATOM 277 CA PHE A 153 -0.097 -13.817 -10.398 1.00 0.00 C ATOM 278 C PHE A 153 -0.933 -15.075 -10.147 1.00 0.00 C ATOM 279 O PHE A 153 -1.298 -15.779 -11.088 1.00 0.00 O ATOM 280 CB PHE A 153 -0.835 -12.607 -9.822 1.00 0.00 C ATOM 281 CG PHE A 153 -2.100 -12.223 -10.593 1.00 0.00 C ATOM 282 CD1 PHE A 153 -3.267 -12.878 -10.351 1.00 0.00 C ATOM 283 CD2 PHE A 153 -2.056 -11.228 -11.518 1.00 0.00 C ATOM 284 CE1 PHE A 153 -4.441 -12.522 -11.067 1.00 0.00 C ATOM 285 CE2 PHE A 153 -3.229 -10.872 -12.234 1.00 0.00 C ATOM 286 CZ PHE A 153 -4.398 -11.526 -11.993 1.00 0.00 C ATOM 0 H PHE A 153 -0.555 -14.122 -12.421 1.00 0.00 H new ATOM 0 HA PHE A 153 0.877 -13.960 -9.931 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -1.103 -12.817 -8.787 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.157 -11.754 -9.809 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -3.301 -13.668 -9.615 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -1.129 -10.708 -11.708 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -5.368 -13.042 -10.876 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -3.194 -10.082 -12.970 1.00 0.00 H new ATOM 0 HZ PHE A 153 -5.291 -11.255 -12.536 1.00 0.00 H new ATOM 296 N LYS A 154 -1.210 -15.318 -8.875 1.00 0.00 N ATOM 297 CA LYS A 154 -1.995 -16.477 -8.489 1.00 0.00 C ATOM 298 C LYS A 154 -2.982 -16.077 -7.390 1.00 0.00 C ATOM 299 O LYS A 154 -2.603 -15.426 -6.419 1.00 0.00 O ATOM 300 CB LYS A 154 -1.079 -17.639 -8.099 1.00 0.00 C ATOM 301 CG LYS A 154 -1.650 -18.414 -6.910 1.00 0.00 C ATOM 302 CD LYS A 154 -0.660 -19.469 -6.415 1.00 0.00 C ATOM 303 CE LYS A 154 -1.313 -20.852 -6.361 1.00 0.00 C ATOM 304 NZ LYS A 154 -1.295 -21.487 -7.699 1.00 0.00 N ATOM 0 H LYS A 154 -0.905 -14.732 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.585 -16.835 -9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -0.955 -18.310 -8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -0.089 -17.258 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -1.885 -17.723 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -2.584 -18.895 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 154 0.207 -19.498 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -0.297 -19.196 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -0.785 -21.482 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -2.340 -20.762 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -1.742 -22.425 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -1.819 -20.892 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -0.312 -21.591 -8.021 1.00 0.00 H new ATOM 318 N LYS A 155 -4.228 -16.484 -7.581 1.00 0.00 N ATOM 319 CA LYS A 155 -5.272 -16.177 -6.618 1.00 0.00 C ATOM 320 C LYS A 155 -4.661 -16.104 -5.218 1.00 0.00 C ATOM 321 O LYS A 155 -3.928 -17.002 -4.809 1.00 0.00 O ATOM 322 CB LYS A 155 -6.422 -17.179 -6.737 1.00 0.00 C ATOM 323 CG LYS A 155 -7.408 -17.021 -5.577 1.00 0.00 C ATOM 324 CD LYS A 155 -8.757 -17.659 -5.914 1.00 0.00 C ATOM 325 CE LYS A 155 -9.811 -16.589 -6.209 1.00 0.00 C ATOM 326 NZ LYS A 155 -11.158 -17.196 -6.286 1.00 0.00 N ATOM 0 H LYS A 155 -4.538 -17.024 -8.389 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.709 -15.201 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -6.942 -17.031 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -6.025 -18.194 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -6.997 -17.484 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -7.547 -15.963 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -8.648 -18.315 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -9.087 -18.281 -5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -9.793 -15.828 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -9.577 -16.089 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -11.861 -16.456 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -11.176 -17.906 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -11.385 -17.653 -5.380 1.00 0.00 H new ATOM 340 N GLY A 156 -4.988 -15.025 -4.520 1.00 0.00 N ATOM 341 CA GLY A 156 -4.481 -14.823 -3.174 1.00 0.00 C ATOM 342 C GLY A 156 -2.996 -14.455 -3.196 1.00 0.00 C ATOM 343 O GLY A 156 -2.218 -14.951 -2.383 1.00 0.00 O ATOM 0 H GLY A 156 -5.598 -14.282 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.048 -14.032 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.626 -15.730 -2.587 1.00 0.00 H new ATOM 347 N ASP A 157 -2.648 -13.589 -4.135 1.00 0.00 N ATOM 348 CA ASP A 157 -1.270 -13.148 -4.274 1.00 0.00 C ATOM 349 C ASP A 157 -1.168 -11.675 -3.876 1.00 0.00 C ATOM 350 O ASP A 157 -2.182 -10.995 -3.731 1.00 0.00 O ATOM 351 CB ASP A 157 -0.792 -13.282 -5.722 1.00 0.00 C ATOM 352 CG ASP A 157 0.605 -12.721 -5.996 1.00 0.00 C ATOM 353 OD1 ASP A 157 1.508 -13.029 -5.190 1.00 0.00 O ATOM 354 OD2 ASP A 157 0.737 -11.997 -7.006 1.00 0.00 O ATOM 0 H ASP A 157 -3.296 -13.180 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 157 -0.650 -13.772 -3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -0.804 -14.337 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -1.505 -12.775 -6.373 1.00 0.00 H new ATOM 359 N ILE A 158 0.068 -11.225 -3.710 1.00 0.00 N ATOM 360 CA ILE A 158 0.317 -9.844 -3.330 1.00 0.00 C ATOM 361 C ILE A 158 1.217 -9.187 -4.379 1.00 0.00 C ATOM 362 O ILE A 158 2.083 -9.841 -4.956 1.00 0.00 O ATOM 363 CB ILE A 158 0.873 -9.771 -1.908 1.00 0.00 C ATOM 364 CG1 ILE A 158 -0.252 -9.845 -0.874 1.00 0.00 C ATOM 365 CG2 ILE A 158 1.741 -8.524 -1.722 1.00 0.00 C ATOM 366 CD1 ILE A 158 -0.887 -11.237 -0.853 1.00 0.00 C ATOM 0 H ILE A 158 0.907 -11.792 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 158 -0.615 -9.279 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 158 1.515 -10.637 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 158 0.141 -9.606 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 158 -1.012 -9.098 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 158 2.124 -8.496 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 158 2.576 -8.554 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 158 1.142 -7.633 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -1.684 -11.262 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 158 -1.301 -11.463 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 158 -0.130 -11.979 -0.599 1.00 0.00 H new ATOM 378 N LEU A 159 0.982 -7.900 -4.592 1.00 0.00 N ATOM 379 CA LEU A 159 1.760 -7.147 -5.559 1.00 0.00 C ATOM 380 C LEU A 159 2.012 -5.738 -5.019 1.00 0.00 C ATOM 381 O LEU A 159 1.119 -5.123 -4.440 1.00 0.00 O ATOM 382 CB LEU A 159 1.079 -7.167 -6.929 1.00 0.00 C ATOM 383 CG LEU A 159 0.367 -8.469 -7.304 1.00 0.00 C ATOM 384 CD1 LEU A 159 -0.844 -8.193 -8.198 1.00 0.00 C ATOM 385 CD2 LEU A 159 1.339 -9.461 -7.944 1.00 0.00 C ATOM 0 H LEU A 159 0.263 -7.360 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 159 2.735 -7.612 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.352 -6.355 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.830 -6.955 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 159 -0.006 -8.930 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.332 -9.134 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.547 -7.550 -7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.516 -7.698 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.807 -10.377 -8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.764 -9.023 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.140 -9.691 -7.241 1.00 0.00 H new ATOM 397 N ARG A 160 3.234 -5.269 -5.227 1.00 0.00 N ATOM 398 CA ARG A 160 3.616 -3.944 -4.768 1.00 0.00 C ATOM 399 C ARG A 160 3.363 -2.909 -5.866 1.00 0.00 C ATOM 400 O ARG A 160 4.114 -2.834 -6.838 1.00 0.00 O ATOM 401 CB ARG A 160 5.092 -3.903 -4.367 1.00 0.00 C ATOM 402 CG ARG A 160 5.649 -5.316 -4.186 1.00 0.00 C ATOM 403 CD ARG A 160 6.934 -5.295 -3.355 1.00 0.00 C ATOM 404 NE ARG A 160 8.096 -5.008 -4.227 1.00 0.00 N ATOM 405 CZ ARG A 160 8.835 -5.950 -4.828 1.00 0.00 C ATOM 406 NH1 ARG A 160 8.539 -7.246 -4.656 1.00 0.00 N ATOM 407 NH2 ARG A 160 9.870 -5.597 -5.602 1.00 0.00 N ATOM 0 H ARG A 160 3.972 -5.783 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 160 3.008 -3.708 -3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.666 -3.377 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.205 -3.342 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 160 4.905 -5.944 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.849 -5.760 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.859 -4.539 -2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.071 -6.255 -2.857 1.00 0.00 H new ATOM 0 HE ARG A 160 8.350 -4.032 -4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 160 7.751 -7.515 -4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 160 9.102 -7.963 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 160 10.095 -4.611 -5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 160 10.433 -6.314 -6.060 1.00 0.00 H new ATOM 421 N ILE A 161 2.305 -2.136 -5.675 1.00 0.00 N ATOM 422 CA ILE A 161 1.945 -1.109 -6.637 1.00 0.00 C ATOM 423 C ILE A 161 2.724 0.172 -6.326 1.00 0.00 C ATOM 424 O ILE A 161 2.689 0.665 -5.200 1.00 0.00 O ATOM 425 CB ILE A 161 0.427 -0.912 -6.668 1.00 0.00 C ATOM 426 CG1 ILE A 161 0.032 0.134 -7.712 1.00 0.00 C ATOM 427 CG2 ILE A 161 -0.110 -0.567 -5.278 1.00 0.00 C ATOM 428 CD1 ILE A 161 0.087 1.545 -7.122 1.00 0.00 C ATOM 0 H ILE A 161 1.685 -2.200 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 161 2.225 -1.417 -7.644 1.00 0.00 H new ATOM 0 HB ILE A 161 -0.034 -1.854 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 161 0.702 0.068 -8.570 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -0.974 -0.073 -8.077 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -1.190 -0.432 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 161 0.123 -1.377 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 161 0.354 0.354 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -0.198 2.270 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -0.602 1.614 -6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 161 1.100 1.757 -6.781 1.00 0.00 H new ATOM 440 N ARG A 162 3.408 0.673 -7.344 1.00 0.00 N ATOM 441 CA ARG A 162 4.193 1.885 -7.194 1.00 0.00 C ATOM 442 C ARG A 162 3.678 2.972 -8.139 1.00 0.00 C ATOM 443 O ARG A 162 3.845 4.162 -7.872 1.00 0.00 O ATOM 444 CB ARG A 162 5.672 1.622 -7.487 1.00 0.00 C ATOM 445 CG ARG A 162 6.533 2.821 -7.080 1.00 0.00 C ATOM 446 CD ARG A 162 7.025 2.677 -5.638 1.00 0.00 C ATOM 447 NE ARG A 162 8.491 2.476 -5.623 1.00 0.00 N ATOM 448 CZ ARG A 162 9.388 3.466 -5.733 1.00 0.00 C ATOM 449 NH1 ARG A 162 8.973 4.733 -5.869 1.00 0.00 N ATOM 450 NH2 ARG A 162 10.698 3.189 -5.709 1.00 0.00 N ATOM 0 H ARG A 162 3.434 0.261 -8.277 1.00 0.00 H new ATOM 0 HA ARG A 162 4.092 2.220 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 162 6.001 0.734 -6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 162 5.805 1.418 -8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 162 7.386 2.906 -7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 162 5.955 3.740 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 162 6.766 3.568 -5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 162 6.529 1.834 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 162 8.841 1.523 -5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 162 7.975 4.943 -5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 162 9.655 5.487 -5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 162 11.014 2.224 -5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 162 11.380 3.943 -5.793 1.00 0.00 H new ATOM 464 N ASP A 163 3.062 2.525 -9.223 1.00 0.00 N ATOM 465 CA ASP A 163 2.522 3.446 -10.209 1.00 0.00 C ATOM 466 C ASP A 163 1.140 2.959 -10.652 1.00 0.00 C ATOM 467 O ASP A 163 0.825 1.776 -10.525 1.00 0.00 O ATOM 468 CB ASP A 163 3.417 3.514 -11.448 1.00 0.00 C ATOM 469 CG ASP A 163 4.464 2.403 -11.551 1.00 0.00 C ATOM 470 OD1 ASP A 163 4.944 1.974 -10.480 1.00 0.00 O ATOM 471 OD2 ASP A 163 4.760 2.009 -12.699 1.00 0.00 O ATOM 0 H ASP A 163 2.925 1.538 -9.440 1.00 0.00 H new ATOM 0 HA ASP A 163 2.464 4.433 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.786 3.481 -12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.928 4.477 -11.456 1.00 0.00 H new ATOM 476 N LYS A 164 0.353 3.895 -11.161 1.00 0.00 N ATOM 477 CA LYS A 164 -0.987 3.575 -11.623 1.00 0.00 C ATOM 478 C LYS A 164 -1.297 4.393 -12.879 1.00 0.00 C ATOM 479 O LYS A 164 -1.997 5.402 -12.809 1.00 0.00 O ATOM 480 CB LYS A 164 -2.003 3.771 -10.496 1.00 0.00 C ATOM 481 CG LYS A 164 -1.364 3.508 -9.130 1.00 0.00 C ATOM 482 CD LYS A 164 -2.252 4.031 -7.999 1.00 0.00 C ATOM 483 CE LYS A 164 -1.407 4.556 -6.838 1.00 0.00 C ATOM 484 NZ LYS A 164 -2.170 5.547 -6.047 1.00 0.00 N ATOM 0 H LYS A 164 0.617 4.875 -11.264 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.053 2.523 -11.902 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -2.396 4.787 -10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -2.848 3.098 -10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -1.198 2.438 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -0.387 3.990 -9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -2.895 4.827 -8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -2.906 3.233 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -1.103 3.728 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -0.495 5.013 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -1.581 5.893 -5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -2.438 6.346 -6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -3.028 5.100 -5.665 1.00 0.00 H new ATOM 498 N PRO A 165 -0.748 3.914 -14.027 1.00 0.00 N ATOM 499 CA PRO A 165 -0.959 4.590 -15.296 1.00 0.00 C ATOM 500 C PRO A 165 -2.372 4.334 -15.825 1.00 0.00 C ATOM 501 O PRO A 165 -2.679 4.665 -16.969 1.00 0.00 O ATOM 502 CB PRO A 165 0.126 4.050 -16.214 1.00 0.00 C ATOM 503 CG PRO A 165 0.611 2.759 -15.573 1.00 0.00 C ATOM 504 CD PRO A 165 0.086 2.722 -14.147 1.00 0.00 C ATOM 0 HA PRO A 165 -0.888 5.674 -15.212 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -0.265 3.866 -17.215 1.00 0.00 H new ATOM 0 HB3 PRO A 165 0.942 4.765 -16.317 1.00 0.00 H new ATOM 0 HG2 PRO A 165 0.253 1.896 -16.134 1.00 0.00 H new ATOM 0 HG3 PRO A 165 1.700 2.715 -15.580 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -0.490 1.816 -13.961 1.00 0.00 H new ATOM 0 HD3 PRO A 165 0.902 2.735 -13.424 1.00 0.00 H new ATOM 512 N GLU A 166 -3.193 3.746 -14.967 1.00 0.00 N ATOM 513 CA GLU A 166 -4.565 3.442 -15.334 1.00 0.00 C ATOM 514 C GLU A 166 -5.462 3.461 -14.094 1.00 0.00 C ATOM 515 O GLU A 166 -4.976 3.607 -12.974 1.00 0.00 O ATOM 516 CB GLU A 166 -4.655 2.096 -16.055 1.00 0.00 C ATOM 517 CG GLU A 166 -3.612 2.001 -17.170 1.00 0.00 C ATOM 518 CD GLU A 166 -3.830 0.748 -18.021 1.00 0.00 C ATOM 519 OE1 GLU A 166 -4.922 0.653 -18.621 1.00 0.00 O ATOM 520 OE2 GLU A 166 -2.900 -0.087 -18.050 1.00 0.00 O ATOM 0 H GLU A 166 -2.934 3.472 -14.019 1.00 0.00 H new ATOM 0 HA GLU A 166 -4.915 4.210 -16.024 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -4.504 1.286 -15.341 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -5.653 1.970 -16.474 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -3.668 2.888 -17.801 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -2.612 1.981 -16.737 1.00 0.00 H new ATOM 527 N GLU A 167 -6.756 3.310 -14.337 1.00 0.00 N ATOM 528 CA GLU A 167 -7.725 3.307 -13.254 1.00 0.00 C ATOM 529 C GLU A 167 -8.105 1.871 -12.886 1.00 0.00 C ATOM 530 O GLU A 167 -9.021 1.653 -12.094 1.00 0.00 O ATOM 531 CB GLU A 167 -8.964 4.125 -13.625 1.00 0.00 C ATOM 532 CG GLU A 167 -8.620 5.609 -13.764 1.00 0.00 C ATOM 533 CD GLU A 167 -9.590 6.474 -12.957 1.00 0.00 C ATOM 534 OE1 GLU A 167 -9.980 6.017 -11.860 1.00 0.00 O ATOM 535 OE2 GLU A 167 -9.920 7.572 -13.454 1.00 0.00 O ATOM 0 H GLU A 167 -7.156 3.189 -15.268 1.00 0.00 H new ATOM 0 HA GLU A 167 -7.269 3.776 -12.382 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.381 3.755 -14.562 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -9.731 3.996 -12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -7.600 5.783 -13.421 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -8.657 5.898 -14.814 1.00 0.00 H new ATOM 542 N GLN A 168 -7.384 0.931 -13.479 1.00 0.00 N ATOM 543 CA GLN A 168 -7.634 -0.476 -13.223 1.00 0.00 C ATOM 544 C GLN A 168 -6.332 -1.273 -13.317 1.00 0.00 C ATOM 545 O GLN A 168 -6.052 -2.116 -12.466 1.00 0.00 O ATOM 546 CB GLN A 168 -8.687 -1.030 -14.185 1.00 0.00 C ATOM 547 CG GLN A 168 -10.072 -0.463 -13.868 1.00 0.00 C ATOM 548 CD GLN A 168 -11.162 -1.221 -14.629 1.00 0.00 C ATOM 549 OE1 GLN A 168 -11.422 -2.389 -14.395 1.00 0.00 O ATOM 550 NE2 GLN A 168 -11.783 -0.492 -15.553 1.00 0.00 N ATOM 0 H GLN A 168 -6.626 1.117 -14.136 1.00 0.00 H new ATOM 0 HA GLN A 168 -8.026 -0.576 -12.211 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -8.414 -0.781 -15.211 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.711 -2.118 -14.116 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.259 -0.529 -12.796 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -10.106 0.594 -14.133 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.516 0.482 -15.698 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.526 -0.907 -16.116 1.00 0.00 H new ATOM 559 N TRP A 169 -5.570 -0.979 -14.360 1.00 0.00 N ATOM 560 CA TRP A 169 -4.303 -1.657 -14.577 1.00 0.00 C ATOM 561 C TRP A 169 -3.187 -0.753 -14.049 1.00 0.00 C ATOM 562 O TRP A 169 -2.737 0.154 -14.746 1.00 0.00 O ATOM 563 CB TRP A 169 -4.126 -2.028 -16.051 1.00 0.00 C ATOM 564 CG TRP A 169 -5.040 -3.161 -16.521 1.00 0.00 C ATOM 565 CD1 TRP A 169 -6.255 -3.064 -17.077 1.00 0.00 C ATOM 566 CD2 TRP A 169 -4.760 -4.576 -16.455 1.00 0.00 C ATOM 567 NE1 TRP A 169 -6.778 -4.306 -17.372 1.00 0.00 N ATOM 568 CE2 TRP A 169 -5.840 -5.255 -16.982 1.00 0.00 C ATOM 569 CE3 TRP A 169 -3.633 -5.259 -15.966 1.00 0.00 C ATOM 570 CZ2 TRP A 169 -5.898 -6.651 -17.071 1.00 0.00 C ATOM 571 CZ3 TRP A 169 -3.706 -6.653 -16.062 1.00 0.00 C ATOM 572 CH2 TRP A 169 -4.785 -7.352 -16.589 1.00 0.00 C ATOM 0 H TRP A 169 -5.806 -0.280 -15.065 1.00 0.00 H new ATOM 0 HA TRP A 169 -4.272 -2.601 -14.034 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -4.314 -1.146 -16.662 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -3.089 -2.318 -16.220 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -6.762 -2.130 -17.270 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -7.686 -4.493 -17.798 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -2.778 -4.748 -15.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -6.754 -7.160 -17.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -2.865 -7.226 -15.701 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -4.766 -8.431 -16.627 1.00 0.00 H new ATOM 583 N TRP A 170 -2.772 -1.034 -12.823 1.00 0.00 N ATOM 584 CA TRP A 170 -1.717 -0.258 -12.193 1.00 0.00 C ATOM 585 C TRP A 170 -0.423 -1.069 -12.273 1.00 0.00 C ATOM 586 O TRP A 170 -0.459 -2.296 -12.362 1.00 0.00 O ATOM 587 CB TRP A 170 -2.097 0.124 -10.761 1.00 0.00 C ATOM 588 CG TRP A 170 -3.453 0.821 -10.641 1.00 0.00 C ATOM 589 CD1 TRP A 170 -4.225 1.299 -11.627 1.00 0.00 C ATOM 590 CD2 TRP A 170 -4.171 1.102 -9.421 1.00 0.00 C ATOM 591 NE1 TRP A 170 -5.382 1.865 -11.134 1.00 0.00 N ATOM 592 CE2 TRP A 170 -5.349 1.741 -9.749 1.00 0.00 C ATOM 593 CE3 TRP A 170 -3.836 0.824 -8.085 1.00 0.00 C ATOM 594 CZ2 TRP A 170 -6.287 2.157 -8.797 1.00 0.00 C ATOM 595 CZ3 TRP A 170 -4.784 1.246 -7.145 1.00 0.00 C ATOM 596 CH2 TRP A 170 -5.974 1.891 -7.459 1.00 0.00 C ATOM 0 H TRP A 170 -3.147 -1.789 -12.248 1.00 0.00 H new ATOM 0 HA TRP A 170 -1.568 0.687 -12.715 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -2.107 -0.776 -10.147 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -1.326 0.779 -10.354 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -3.973 1.247 -12.676 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -6.125 2.295 -11.684 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -2.920 0.325 -7.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -7.202 2.656 -9.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -4.576 1.057 -6.102 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.655 2.186 -6.674 1.00 0.00 H new ATOM 607 N ASN A 171 0.691 -0.352 -12.238 1.00 0.00 N ATOM 608 CA ASN A 171 1.995 -0.990 -12.304 1.00 0.00 C ATOM 609 C ASN A 171 2.451 -1.357 -10.891 1.00 0.00 C ATOM 610 O ASN A 171 2.751 -0.478 -10.083 1.00 0.00 O ATOM 611 CB ASN A 171 3.038 -0.048 -12.908 1.00 0.00 C ATOM 612 CG ASN A 171 3.636 -0.641 -14.186 1.00 0.00 C ATOM 613 OD1 ASN A 171 4.032 -1.793 -14.241 1.00 0.00 O ATOM 614 ND2 ASN A 171 3.680 0.210 -15.208 1.00 0.00 N ATOM 0 H ASN A 171 0.717 0.665 -12.165 1.00 0.00 H new ATOM 0 HA ASN A 171 1.905 -1.878 -12.930 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.579 0.915 -13.130 1.00 0.00 H new ATOM 0 HB3 ASN A 171 3.830 0.136 -12.183 1.00 0.00 H new ATOM 0 HD21 ASN A 171 4.062 -0.089 -16.105 1.00 0.00 H new ATOM 0 HD22 ASN A 171 3.331 1.162 -15.094 1.00 0.00 H new ATOM 621 N ALA A 172 2.490 -2.656 -10.635 1.00 0.00 N ATOM 622 CA ALA A 172 2.905 -3.150 -9.332 1.00 0.00 C ATOM 623 C ALA A 172 3.880 -4.315 -9.521 1.00 0.00 C ATOM 624 O ALA A 172 4.008 -4.850 -10.621 1.00 0.00 O ATOM 625 CB ALA A 172 1.671 -3.547 -8.520 1.00 0.00 C ATOM 0 H ALA A 172 2.241 -3.382 -11.307 1.00 0.00 H new ATOM 0 HA ALA A 172 3.425 -2.372 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 172 1.982 -3.917 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 172 1.026 -2.678 -8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 172 1.125 -4.329 -9.047 1.00 0.00 H new ATOM 631 N GLU A 173 4.542 -4.672 -8.430 1.00 0.00 N ATOM 632 CA GLU A 173 5.501 -5.763 -8.461 1.00 0.00 C ATOM 633 C GLU A 173 4.843 -7.061 -7.991 1.00 0.00 C ATOM 634 O GLU A 173 3.859 -7.031 -7.252 1.00 0.00 O ATOM 635 CB GLU A 173 6.733 -5.435 -7.615 1.00 0.00 C ATOM 636 CG GLU A 173 7.784 -4.694 -8.444 1.00 0.00 C ATOM 637 CD GLU A 173 7.579 -3.179 -8.363 1.00 0.00 C ATOM 638 OE1 GLU A 173 6.609 -2.705 -8.990 1.00 0.00 O ATOM 639 OE2 GLU A 173 8.397 -2.532 -7.674 1.00 0.00 O ATOM 0 H GLU A 173 4.433 -4.225 -7.520 1.00 0.00 H new ATOM 0 HA GLU A 173 5.834 -5.899 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 173 6.440 -4.824 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 173 7.161 -6.355 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 173 8.781 -4.949 -8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 173 7.727 -5.017 -9.483 1.00 0.00 H new ATOM 646 N ASP A 174 5.412 -8.172 -8.437 1.00 0.00 N ATOM 647 CA ASP A 174 4.892 -9.479 -8.071 1.00 0.00 C ATOM 648 C ASP A 174 5.657 -10.004 -6.854 1.00 0.00 C ATOM 649 O ASP A 174 6.308 -9.236 -6.147 1.00 0.00 O ATOM 650 CB ASP A 174 5.073 -10.482 -9.211 1.00 0.00 C ATOM 651 CG ASP A 174 3.901 -11.445 -9.417 1.00 0.00 C ATOM 652 OD1 ASP A 174 2.801 -10.940 -9.730 1.00 0.00 O ATOM 653 OD2 ASP A 174 4.132 -12.663 -9.258 1.00 0.00 O ATOM 0 H ASP A 174 6.228 -8.194 -9.049 1.00 0.00 H new ATOM 0 HA ASP A 174 3.830 -9.370 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 174 5.238 -9.931 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 174 5.974 -11.065 -9.022 1.00 0.00 H new ATOM 658 N SER A 175 5.551 -11.307 -6.645 1.00 0.00 N ATOM 659 CA SER A 175 6.224 -11.944 -5.526 1.00 0.00 C ATOM 660 C SER A 175 7.702 -12.160 -5.859 1.00 0.00 C ATOM 661 O SER A 175 8.424 -12.806 -5.100 1.00 0.00 O ATOM 662 CB SER A 175 5.560 -13.275 -5.168 1.00 0.00 C ATOM 663 OG SER A 175 4.292 -13.088 -4.544 1.00 0.00 O ATOM 0 H SER A 175 5.008 -11.940 -7.232 1.00 0.00 H new ATOM 0 HA SER A 175 6.145 -11.286 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.435 -13.872 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 175 6.213 -13.838 -4.501 1.00 0.00 H new ATOM 0 HG SER A 175 3.581 -13.191 -5.210 1.00 0.00 H new ATOM 669 N GLU A 176 8.107 -11.609 -6.993 1.00 0.00 N ATOM 670 CA GLU A 176 9.486 -11.734 -7.435 1.00 0.00 C ATOM 671 C GLU A 176 10.083 -10.352 -7.708 1.00 0.00 C ATOM 672 O GLU A 176 11.271 -10.233 -8.006 1.00 0.00 O ATOM 673 CB GLU A 176 9.586 -12.629 -8.672 1.00 0.00 C ATOM 674 CG GLU A 176 9.350 -14.096 -8.308 1.00 0.00 C ATOM 675 CD GLU A 176 10.515 -14.972 -8.777 1.00 0.00 C ATOM 676 OE1 GLU A 176 11.112 -14.612 -9.814 1.00 0.00 O ATOM 677 OE2 GLU A 176 10.780 -15.980 -8.088 1.00 0.00 O ATOM 0 H GLU A 176 7.505 -11.075 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 176 10.061 -12.206 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 176 8.853 -12.312 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 176 10.570 -12.517 -9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 176 9.230 -14.192 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 176 8.423 -14.443 -8.764 1.00 0.00 H new ATOM 684 N GLY A 177 9.233 -9.343 -7.597 1.00 0.00 N ATOM 685 CA GLY A 177 9.661 -7.974 -7.828 1.00 0.00 C ATOM 686 C GLY A 177 9.337 -7.531 -9.256 1.00 0.00 C ATOM 687 O GLY A 177 9.419 -6.347 -9.577 1.00 0.00 O ATOM 0 H GLY A 177 8.249 -9.446 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 177 9.168 -7.311 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 177 10.733 -7.890 -7.652 1.00 0.00 H new ATOM 691 N LYS A 178 8.975 -8.507 -10.076 1.00 0.00 N ATOM 692 CA LYS A 178 8.639 -8.233 -11.463 1.00 0.00 C ATOM 693 C LYS A 178 7.498 -7.216 -11.515 1.00 0.00 C ATOM 694 O LYS A 178 6.385 -7.504 -11.076 1.00 0.00 O ATOM 695 CB LYS A 178 8.336 -9.535 -12.208 1.00 0.00 C ATOM 696 CG LYS A 178 7.576 -10.516 -11.312 1.00 0.00 C ATOM 697 CD LYS A 178 6.466 -11.224 -12.092 1.00 0.00 C ATOM 698 CE LYS A 178 6.936 -12.588 -12.599 1.00 0.00 C ATOM 699 NZ LYS A 178 7.226 -13.491 -11.463 1.00 0.00 N ATOM 0 H LYS A 178 8.907 -9.488 -9.806 1.00 0.00 H new ATOM 0 HA LYS A 178 9.489 -7.787 -11.980 1.00 0.00 H new ATOM 0 HB2 LYS A 178 7.747 -9.319 -13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 178 9.267 -9.991 -12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 178 8.268 -11.254 -10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 178 7.146 -9.982 -10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 178 5.592 -11.351 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 178 6.158 -10.605 -12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 178 6.170 -13.030 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 178 7.829 -12.467 -13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 7.030 -14.474 -11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 8.227 -13.400 -11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 6.625 -13.235 -10.654 1.00 0.00 H new ATOM 713 N ARG A 179 7.813 -6.048 -12.054 1.00 0.00 N ATOM 714 CA ARG A 179 6.828 -4.986 -12.169 1.00 0.00 C ATOM 715 C ARG A 179 6.069 -5.107 -13.491 1.00 0.00 C ATOM 716 O ARG A 179 6.679 -5.185 -14.557 1.00 0.00 O ATOM 717 CB ARG A 179 7.491 -3.609 -12.093 1.00 0.00 C ATOM 718 CG ARG A 179 8.796 -3.672 -11.297 1.00 0.00 C ATOM 719 CD ARG A 179 9.995 -3.319 -12.180 1.00 0.00 C ATOM 720 NE ARG A 179 11.133 -2.886 -11.339 1.00 0.00 N ATOM 721 CZ ARG A 179 12.031 -3.724 -10.802 1.00 0.00 C ATOM 722 NH1 ARG A 179 11.929 -5.043 -11.015 1.00 0.00 N ATOM 723 NH2 ARG A 179 13.031 -3.241 -10.052 1.00 0.00 N ATOM 0 H ARG A 179 8.737 -5.813 -12.416 1.00 0.00 H new ATOM 0 HA ARG A 179 6.132 -5.088 -11.336 1.00 0.00 H new ATOM 0 HB2 ARG A 179 7.692 -3.242 -13.100 1.00 0.00 H new ATOM 0 HB3 ARG A 179 6.809 -2.899 -11.625 1.00 0.00 H new ATOM 0 HG2 ARG A 179 8.745 -2.983 -10.454 1.00 0.00 H new ATOM 0 HG3 ARG A 179 8.926 -4.672 -10.884 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.283 -4.183 -12.779 1.00 0.00 H new ATOM 0 HD3 ARG A 179 9.724 -2.525 -12.876 1.00 0.00 H new ATOM 0 HE ARG A 179 11.241 -1.888 -11.157 1.00 0.00 H new ATOM 0 HH11 ARG A 179 11.168 -5.410 -11.586 1.00 0.00 H new ATOM 0 HH12 ARG A 179 12.613 -5.680 -10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 179 13.108 -2.237 -9.890 1.00 0.00 H new ATOM 0 HH22 ARG A 179 13.715 -3.878 -9.643 1.00 0.00 H new ATOM 737 N GLY A 180 4.749 -5.119 -13.381 1.00 0.00 N ATOM 738 CA GLY A 180 3.900 -5.229 -14.555 1.00 0.00 C ATOM 739 C GLY A 180 2.533 -4.589 -14.305 1.00 0.00 C ATOM 740 O GLY A 180 2.335 -3.911 -13.298 1.00 0.00 O ATOM 0 H GLY A 180 4.246 -5.054 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 180 4.383 -4.745 -15.404 1.00 0.00 H new ATOM 0 HA3 GLY A 180 3.771 -6.279 -14.818 1.00 0.00 H new ATOM 744 N MET A 181 1.623 -4.828 -15.240 1.00 0.00 N ATOM 745 CA MET A 181 0.281 -4.284 -15.132 1.00 0.00 C ATOM 746 C MET A 181 -0.665 -5.284 -14.464 1.00 0.00 C ATOM 747 O MET A 181 -0.912 -6.364 -14.999 1.00 0.00 O ATOM 748 CB MET A 181 -0.244 -3.941 -16.528 1.00 0.00 C ATOM 749 CG MET A 181 0.564 -2.800 -17.152 1.00 0.00 C ATOM 750 SD MET A 181 -0.417 -1.309 -17.193 1.00 0.00 S ATOM 751 CE MET A 181 -0.093 -0.679 -15.555 1.00 0.00 C ATOM 0 H MET A 181 1.790 -5.391 -16.074 1.00 0.00 H new ATOM 0 HA MET A 181 0.323 -3.385 -14.517 1.00 0.00 H new ATOM 0 HB2 MET A 181 -0.190 -4.822 -17.168 1.00 0.00 H new ATOM 0 HB3 MET A 181 -1.294 -3.656 -16.466 1.00 0.00 H new ATOM 0 HG2 MET A 181 1.474 -2.631 -16.577 1.00 0.00 H new ATOM 0 HG3 MET A 181 0.871 -3.071 -18.162 1.00 0.00 H new ATOM 0 HE1 MET A 181 -0.590 0.283 -15.430 1.00 0.00 H new ATOM 0 HE2 MET A 181 -0.472 -1.382 -14.813 1.00 0.00 H new ATOM 0 HE3 MET A 181 0.981 -0.553 -15.420 1.00 0.00 H new ATOM 761 N ILE A 182 -1.168 -4.889 -13.303 1.00 0.00 N ATOM 762 CA ILE A 182 -2.080 -5.738 -12.556 1.00 0.00 C ATOM 763 C ILE A 182 -3.438 -5.041 -12.440 1.00 0.00 C ATOM 764 O ILE A 182 -3.503 -3.827 -12.258 1.00 0.00 O ATOM 765 CB ILE A 182 -1.470 -6.125 -11.208 1.00 0.00 C ATOM 766 CG1 ILE A 182 -2.442 -6.980 -10.391 1.00 0.00 C ATOM 767 CG2 ILE A 182 -1.012 -4.885 -10.438 1.00 0.00 C ATOM 768 CD1 ILE A 182 -2.190 -8.470 -10.625 1.00 0.00 C ATOM 0 H ILE A 182 -0.961 -3.993 -12.862 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.246 -6.677 -13.085 1.00 0.00 H new ATOM 0 HB ILE A 182 -0.585 -6.733 -11.395 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -2.331 -6.751 -9.331 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.468 -6.733 -10.665 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -0.582 -5.188 -9.483 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -0.261 -4.351 -11.021 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -1.866 -4.231 -10.260 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -2.894 -9.055 -10.033 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -2.325 -8.700 -11.682 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -1.171 -8.718 -10.327 1.00 0.00 H new ATOM 780 N PRO A 183 -4.517 -5.862 -12.553 1.00 0.00 N ATOM 781 CA PRO A 183 -5.869 -5.337 -12.463 1.00 0.00 C ATOM 782 C PRO A 183 -6.231 -5.004 -11.014 1.00 0.00 C ATOM 783 O PRO A 183 -6.067 -5.834 -10.122 1.00 0.00 O ATOM 784 CB PRO A 183 -6.751 -6.421 -13.061 1.00 0.00 C ATOM 785 CG PRO A 183 -5.923 -7.694 -13.038 1.00 0.00 C ATOM 786 CD PRO A 183 -4.477 -7.306 -12.769 1.00 0.00 C ATOM 0 HA PRO A 183 -5.994 -4.398 -13.002 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.668 -6.541 -12.483 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.047 -6.166 -14.079 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -6.286 -8.372 -12.265 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -6.006 -8.221 -13.989 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -4.083 -7.827 -11.896 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.834 -7.563 -13.611 1.00 0.00 H new ATOM 794 N VAL A 184 -6.718 -3.786 -10.825 1.00 0.00 N ATOM 795 CA VAL A 184 -7.106 -3.331 -9.501 1.00 0.00 C ATOM 796 C VAL A 184 -8.402 -4.029 -9.087 1.00 0.00 C ATOM 797 O VAL A 184 -8.648 -4.236 -7.899 1.00 0.00 O ATOM 798 CB VAL A 184 -7.215 -1.806 -9.482 1.00 0.00 C ATOM 799 CG1 VAL A 184 -8.064 -1.331 -8.301 1.00 0.00 C ATOM 800 CG2 VAL A 184 -5.830 -1.157 -9.458 1.00 0.00 C ATOM 0 H VAL A 184 -6.853 -3.100 -11.568 1.00 0.00 H new ATOM 0 HA VAL A 184 -6.345 -3.597 -8.767 1.00 0.00 H new ATOM 0 HB VAL A 184 -7.714 -1.495 -10.400 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -8.125 -0.243 -8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -9.066 -1.752 -8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -7.606 -1.660 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -5.937 -0.072 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -5.292 -1.480 -8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -5.273 -1.456 -10.346 1.00 0.00 H new ATOM 810 N PRO A 185 -9.219 -4.382 -10.115 1.00 0.00 N ATOM 811 CA PRO A 185 -10.485 -5.052 -9.869 1.00 0.00 C ATOM 812 C PRO A 185 -10.265 -6.519 -9.495 1.00 0.00 C ATOM 813 O PRO A 185 -11.156 -7.162 -8.943 1.00 0.00 O ATOM 814 CB PRO A 185 -11.277 -4.879 -11.154 1.00 0.00 C ATOM 815 CG PRO A 185 -10.259 -4.529 -12.227 1.00 0.00 C ATOM 816 CD PRO A 185 -8.961 -4.153 -11.534 1.00 0.00 C ATOM 0 HA PRO A 185 -11.027 -4.630 -9.023 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -11.814 -5.793 -11.408 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -12.022 -4.090 -11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -10.103 -5.376 -12.896 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -10.619 -3.702 -12.839 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -8.131 -4.764 -11.889 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -8.696 -3.113 -11.726 1.00 0.00 H new ATOM 824 N TYR A 186 -9.073 -7.004 -9.808 1.00 0.00 N ATOM 825 CA TYR A 186 -8.725 -8.383 -9.511 1.00 0.00 C ATOM 826 C TYR A 186 -7.862 -8.472 -8.251 1.00 0.00 C ATOM 827 O TYR A 186 -7.569 -9.565 -7.772 1.00 0.00 O ATOM 828 CB TYR A 186 -7.911 -8.880 -10.709 1.00 0.00 C ATOM 829 CG TYR A 186 -8.760 -9.263 -11.922 1.00 0.00 C ATOM 830 CD1 TYR A 186 -9.562 -8.319 -12.530 1.00 0.00 C ATOM 831 CD2 TYR A 186 -8.725 -10.554 -12.409 1.00 0.00 C ATOM 832 CE1 TYR A 186 -10.361 -8.680 -13.673 1.00 0.00 C ATOM 833 CE2 TYR A 186 -9.524 -10.916 -13.551 1.00 0.00 C ATOM 834 CZ TYR A 186 -10.303 -9.961 -14.126 1.00 0.00 C ATOM 835 OH TYR A 186 -11.057 -10.301 -15.205 1.00 0.00 O ATOM 0 H TYR A 186 -8.336 -6.467 -10.264 1.00 0.00 H new ATOM 0 HA TYR A 186 -9.623 -8.977 -9.340 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -7.205 -8.103 -11.003 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -7.323 -9.745 -10.402 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -9.591 -7.309 -12.149 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -8.098 -11.293 -11.933 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -10.992 -7.950 -14.159 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -9.505 -11.923 -13.942 1.00 0.00 H new ATOM 0 HH TYR A 186 -10.915 -11.247 -15.418 1.00 0.00 H new ATOM 845 N VAL A 187 -7.480 -7.306 -7.752 1.00 0.00 N ATOM 846 CA VAL A 187 -6.656 -7.238 -6.556 1.00 0.00 C ATOM 847 C VAL A 187 -7.229 -6.185 -5.607 1.00 0.00 C ATOM 848 O VAL A 187 -7.952 -5.286 -6.034 1.00 0.00 O ATOM 849 CB VAL A 187 -5.199 -6.968 -6.940 1.00 0.00 C ATOM 850 CG1 VAL A 187 -4.785 -7.810 -8.148 1.00 0.00 C ATOM 851 CG2 VAL A 187 -4.968 -5.479 -7.203 1.00 0.00 C ATOM 0 H VAL A 187 -7.725 -6.401 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 187 -6.668 -8.192 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 187 -4.571 -7.260 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -3.746 -7.599 -8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.893 -8.868 -7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.421 -7.564 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -3.925 -5.315 -7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.611 -5.150 -8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -5.203 -4.910 -6.304 1.00 0.00 H new ATOM 861 N GLU A 188 -6.885 -6.332 -4.335 1.00 0.00 N ATOM 862 CA GLU A 188 -7.357 -5.403 -3.321 1.00 0.00 C ATOM 863 C GLU A 188 -6.279 -4.362 -3.012 1.00 0.00 C ATOM 864 O GLU A 188 -5.089 -4.631 -3.167 1.00 0.00 O ATOM 865 CB GLU A 188 -7.781 -6.147 -2.053 1.00 0.00 C ATOM 866 CG GLU A 188 -9.236 -5.838 -1.696 1.00 0.00 C ATOM 867 CD GLU A 188 -9.385 -4.398 -1.200 1.00 0.00 C ATOM 868 OE1 GLU A 188 -8.912 -4.135 -0.073 1.00 0.00 O ATOM 869 OE2 GLU A 188 -9.968 -3.594 -1.958 1.00 0.00 O ATOM 0 H GLU A 188 -6.286 -7.079 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 188 -8.234 -4.884 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -7.659 -7.220 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -7.131 -5.862 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -9.869 -5.993 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -9.580 -6.529 -0.926 1.00 0.00 H new ATOM 876 N LYS A 189 -6.736 -3.196 -2.581 1.00 0.00 N ATOM 877 CA LYS A 189 -5.826 -2.112 -2.249 1.00 0.00 C ATOM 878 C LYS A 189 -5.420 -2.226 -0.778 1.00 0.00 C ATOM 879 O LYS A 189 -6.218 -1.941 0.113 1.00 0.00 O ATOM 880 CB LYS A 189 -6.445 -0.762 -2.614 1.00 0.00 C ATOM 881 CG LYS A 189 -6.786 -0.700 -4.104 1.00 0.00 C ATOM 882 CD LYS A 189 -7.879 0.338 -4.374 1.00 0.00 C ATOM 883 CE LYS A 189 -9.271 -0.287 -4.249 1.00 0.00 C ATOM 884 NZ LYS A 189 -9.731 -0.793 -5.561 1.00 0.00 N ATOM 0 H LYS A 189 -7.724 -2.978 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 189 -4.912 -2.187 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -7.347 -0.600 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -5.751 0.040 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -5.892 -0.449 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -7.118 -1.680 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -7.783 1.164 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -7.752 0.754 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -9.246 -1.103 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -9.976 0.453 -3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -10.725 -1.090 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -9.645 -0.040 -6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -9.147 -1.606 -5.844 1.00 0.00 H new