USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 171 ASN : amide:sc= -3.62 K(o=-4.9,f=-12!) USER MOD Set 1.2: A 181 MET CE :methyl -147:sc= -1.27 (180deg=0) 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=-0.00673 X(o=-0.0067,f=-0.069) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot -60:sc= 0.757 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 136 4.864 3.715 -0.224 1.00 0.00 N ATOM 27 CA TYR A 136 6.057 4.012 0.551 1.00 0.00 C ATOM 28 C TYR A 136 6.492 2.799 1.374 1.00 0.00 C ATOM 29 O TYR A 136 5.655 2.039 1.860 1.00 0.00 O ATOM 30 CB TYR A 136 5.669 5.146 1.503 1.00 0.00 C ATOM 31 CG TYR A 136 4.163 5.407 1.578 1.00 0.00 C ATOM 32 CD1 TYR A 136 3.318 4.435 2.072 1.00 0.00 C ATOM 33 CD2 TYR A 136 3.651 6.615 1.153 1.00 0.00 C ATOM 34 CE1 TYR A 136 1.901 4.681 2.143 1.00 0.00 C ATOM 35 CE2 TYR A 136 2.234 6.862 1.223 1.00 0.00 C ATOM 36 CZ TYR A 136 1.429 5.883 1.715 1.00 0.00 C ATOM 37 OH TYR A 136 0.090 6.115 1.782 1.00 0.00 O ATOM 0 HA TYR A 136 6.884 4.281 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 136 6.037 4.910 2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 136 6.171 6.060 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 136 3.719 3.489 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 136 4.313 7.376 0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 136 1.228 3.929 2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.820 7.803 0.892 1.00 0.00 H new ATOM 0 HH TYR A 136 -0.104 7.014 1.444 1.00 0.00 H new ATOM 47 N VAL A 137 7.803 2.652 1.506 1.00 0.00 N ATOM 48 CA VAL A 137 8.360 1.543 2.262 1.00 0.00 C ATOM 49 C VAL A 137 9.670 1.986 2.917 1.00 0.00 C ATOM 50 O VAL A 137 10.437 2.746 2.328 1.00 0.00 O ATOM 51 CB VAL A 137 8.528 0.324 1.354 1.00 0.00 C ATOM 52 CG1 VAL A 137 7.177 -0.328 1.054 1.00 0.00 C ATOM 53 CG2 VAL A 137 9.256 0.698 0.062 1.00 0.00 C ATOM 0 H VAL A 137 8.495 3.283 1.102 1.00 0.00 H new ATOM 0 HA VAL A 137 7.681 1.245 3.061 1.00 0.00 H new ATOM 0 HB VAL A 137 9.141 -0.405 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 137 7.326 -1.192 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.713 -0.649 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 137 6.528 0.392 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 137 9.362 -0.187 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.682 1.455 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 137 10.243 1.093 0.302 1.00 0.00 H new ATOM 63 N ARG A 138 9.886 1.493 4.128 1.00 0.00 N ATOM 64 CA ARG A 138 11.089 1.827 4.870 1.00 0.00 C ATOM 65 C ARG A 138 12.047 0.634 4.896 1.00 0.00 C ATOM 66 O ARG A 138 11.610 -0.516 4.925 1.00 0.00 O ATOM 67 CB ARG A 138 10.755 2.235 6.306 1.00 0.00 C ATOM 68 CG ARG A 138 12.022 2.329 7.158 1.00 0.00 C ATOM 69 CD ARG A 138 12.842 3.567 6.788 1.00 0.00 C ATOM 70 NE ARG A 138 11.955 4.613 6.231 1.00 0.00 N ATOM 71 CZ ARG A 138 11.888 5.868 6.696 1.00 0.00 C ATOM 72 NH1 ARG A 138 12.655 6.241 7.729 1.00 0.00 N ATOM 73 NH2 ARG A 138 11.054 6.750 6.128 1.00 0.00 N ATOM 0 H ARG A 138 9.247 0.864 4.614 1.00 0.00 H new ATOM 0 HA ARG A 138 11.565 2.668 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 138 10.241 3.196 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.071 1.509 6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.752 2.369 8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 138 12.626 1.433 7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 138 13.359 3.948 7.669 1.00 0.00 H new ATOM 0 HD3 ARG A 138 13.608 3.302 6.059 1.00 0.00 H new ATOM 0 HE ARG A 138 11.357 4.363 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 138 13.290 5.570 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 138 12.604 7.196 8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 138 10.470 6.466 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 138 11.003 7.705 6.482 1.00 0.00 H new ATOM 87 N ALA A 139 13.333 0.949 4.883 1.00 0.00 N ATOM 88 CA ALA A 139 14.356 -0.084 4.904 1.00 0.00 C ATOM 89 C ALA A 139 15.157 0.025 6.203 1.00 0.00 C ATOM 90 O ALA A 139 16.073 0.840 6.306 1.00 0.00 O ATOM 91 CB ALA A 139 15.239 0.046 3.662 1.00 0.00 C ATOM 0 H ALA A 139 13.691 1.904 4.858 1.00 0.00 H new ATOM 0 HA ALA A 139 13.902 -1.075 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.006 -0.729 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.627 -0.068 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.714 1.027 3.654 1.00 0.00 H new ATOM 97 N LEU A 140 14.782 -0.807 7.163 1.00 0.00 N ATOM 98 CA LEU A 140 15.455 -0.815 8.452 1.00 0.00 C ATOM 99 C LEU A 140 16.286 -2.093 8.582 1.00 0.00 C ATOM 100 O LEU A 140 16.475 -2.606 9.683 1.00 0.00 O ATOM 101 CB LEU A 140 14.445 -0.621 9.585 1.00 0.00 C ATOM 102 CG LEU A 140 12.969 -0.700 9.188 1.00 0.00 C ATOM 103 CD1 LEU A 140 12.592 -2.119 8.759 1.00 0.00 C ATOM 104 CD2 LEU A 140 12.070 -0.183 10.313 1.00 0.00 C ATOM 0 H LEU A 140 14.021 -1.480 7.075 1.00 0.00 H new ATOM 0 HA LEU A 140 16.147 0.024 8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.636 -1.375 10.349 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.626 0.351 10.044 1.00 0.00 H new ATOM 0 HG LEU A 140 12.812 -0.051 8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.538 -2.148 8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.200 -2.414 7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 140 12.769 -2.808 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.027 -0.250 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 140 12.224 -0.786 11.208 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.318 0.856 10.529 1.00 0.00 H new ATOM 116 N PHE A 141 16.760 -2.571 7.440 1.00 0.00 N ATOM 117 CA PHE A 141 17.566 -3.780 7.412 1.00 0.00 C ATOM 118 C PHE A 141 18.807 -3.591 6.537 1.00 0.00 C ATOM 119 O PHE A 141 19.765 -4.355 6.639 1.00 0.00 O ATOM 120 CB PHE A 141 16.696 -4.884 6.809 1.00 0.00 C ATOM 121 CG PHE A 141 16.862 -6.247 7.484 1.00 0.00 C ATOM 122 CD1 PHE A 141 18.095 -6.814 7.575 1.00 0.00 C ATOM 123 CD2 PHE A 141 15.778 -6.890 7.993 1.00 0.00 C ATOM 124 CE1 PHE A 141 18.250 -8.078 8.202 1.00 0.00 C ATOM 125 CE2 PHE A 141 15.933 -8.155 8.621 1.00 0.00 C ATOM 126 CZ PHE A 141 17.166 -8.723 8.711 1.00 0.00 C ATOM 0 H PHE A 141 16.601 -2.143 6.528 1.00 0.00 H new ATOM 0 HA PHE A 141 17.899 -4.029 8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.650 -4.584 6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 141 16.935 -4.983 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 141 18.956 -6.303 7.170 1.00 0.00 H new ATOM 0 HD2 PHE A 141 14.799 -6.439 7.920 1.00 0.00 H new ATOM 0 HE1 PHE A 141 19.229 -8.528 8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.072 -8.666 9.027 1.00 0.00 H new ATOM 0 HZ PHE A 141 17.284 -9.686 9.186 1.00 0.00 H new ATOM 136 N ASP A 142 18.751 -2.566 5.698 1.00 0.00 N ATOM 137 CA ASP A 142 19.859 -2.267 4.807 1.00 0.00 C ATOM 138 C ASP A 142 20.201 -3.515 3.990 1.00 0.00 C ATOM 139 O ASP A 142 19.855 -4.629 4.376 1.00 0.00 O ATOM 140 CB ASP A 142 21.105 -1.861 5.594 1.00 0.00 C ATOM 141 CG ASP A 142 22.434 -2.147 4.894 1.00 0.00 C ATOM 142 OD1 ASP A 142 22.782 -1.355 3.991 1.00 0.00 O ATOM 143 OD2 ASP A 142 23.074 -3.150 5.277 1.00 0.00 O ATOM 0 H ASP A 142 17.956 -1.933 5.617 1.00 0.00 H new ATOM 0 HA ASP A 142 19.558 -1.443 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.048 -0.794 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 142 21.097 -2.381 6.552 1.00 0.00 H new ATOM 148 N PHE A 143 20.877 -3.284 2.874 1.00 0.00 N ATOM 149 CA PHE A 143 21.271 -4.376 1.999 1.00 0.00 C ATOM 150 C PHE A 143 22.338 -3.920 1.000 1.00 0.00 C ATOM 151 O PHE A 143 23.265 -4.669 0.693 1.00 0.00 O ATOM 152 CB PHE A 143 20.020 -4.805 1.230 1.00 0.00 C ATOM 153 CG PHE A 143 20.297 -5.795 0.096 1.00 0.00 C ATOM 154 CD1 PHE A 143 20.972 -5.389 -1.013 1.00 0.00 C ATOM 155 CD2 PHE A 143 19.866 -7.082 0.196 1.00 0.00 C ATOM 156 CE1 PHE A 143 21.228 -6.307 -2.065 1.00 0.00 C ATOM 157 CE2 PHE A 143 20.123 -8.000 -0.855 1.00 0.00 C ATOM 158 CZ PHE A 143 20.798 -7.594 -1.964 1.00 0.00 C ATOM 0 H PHE A 143 21.162 -2.358 2.556 1.00 0.00 H new ATOM 0 HA PHE A 143 21.688 -5.193 2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 143 19.314 -5.255 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.539 -3.919 0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 143 21.313 -4.368 -1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 143 19.328 -7.405 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 143 21.764 -5.984 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 143 19.782 -9.022 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 143 20.993 -8.293 -2.764 1.00 0.00 H new ATOM 245 N ASP A 150 19.197 -5.677 -7.479 1.00 0.00 N ATOM 246 CA ASP A 150 18.263 -5.245 -6.453 1.00 0.00 C ATOM 247 C ASP A 150 18.596 -3.811 -6.038 1.00 0.00 C ATOM 248 O ASP A 150 19.736 -3.371 -6.175 1.00 0.00 O ATOM 249 CB ASP A 150 18.361 -6.131 -5.211 1.00 0.00 C ATOM 250 CG ASP A 150 19.713 -6.096 -4.495 1.00 0.00 C ATOM 251 OD1 ASP A 150 20.029 -5.026 -3.933 1.00 0.00 O ATOM 252 OD2 ASP A 150 20.400 -7.140 -4.528 1.00 0.00 O ATOM 0 HA ASP A 150 17.256 -5.311 -6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 150 17.586 -5.829 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 150 18.147 -7.160 -5.500 1.00 0.00 H new ATOM 257 N LEU A 151 17.581 -3.121 -5.540 1.00 0.00 N ATOM 258 CA LEU A 151 17.752 -1.746 -5.104 1.00 0.00 C ATOM 259 C LEU A 151 18.519 -1.727 -3.780 1.00 0.00 C ATOM 260 O LEU A 151 18.043 -2.252 -2.776 1.00 0.00 O ATOM 261 CB LEU A 151 16.401 -1.031 -5.042 1.00 0.00 C ATOM 262 CG LEU A 151 16.407 0.362 -4.409 1.00 0.00 C ATOM 263 CD1 LEU A 151 17.528 1.224 -4.991 1.00 0.00 C ATOM 264 CD2 LEU A 151 15.039 1.032 -4.545 1.00 0.00 C ATOM 0 H LEU A 151 16.636 -3.489 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 151 18.348 -1.189 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 151 16.011 -0.946 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 151 15.706 -1.659 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 151 16.607 0.252 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 151 17.510 2.209 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 151 18.490 0.749 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 151 17.385 1.330 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 151 15.071 2.021 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 151 14.785 1.129 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 151 14.285 0.424 -4.045 1.00 0.00 H new ATOM 276 N PRO A 152 19.725 -1.099 -3.824 1.00 0.00 N ATOM 277 CA PRO A 152 20.563 -1.005 -2.641 1.00 0.00 C ATOM 278 C PRO A 152 20.016 0.039 -1.664 1.00 0.00 C ATOM 279 O PRO A 152 19.941 1.223 -1.992 1.00 0.00 O ATOM 280 CB PRO A 152 21.947 -0.660 -3.166 1.00 0.00 C ATOM 281 CG PRO A 152 21.737 -0.118 -4.571 1.00 0.00 C ATOM 282 CD PRO A 152 20.321 -0.465 -4.997 1.00 0.00 C ATOM 0 HA PRO A 152 20.589 -1.932 -2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 152 22.432 0.080 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 152 22.590 -1.540 -3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 152 21.888 0.961 -4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 152 22.461 -0.553 -5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 152 19.766 0.426 -5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 152 20.319 -1.138 -5.855 1.00 0.00 H new ATOM 290 N PHE A 153 19.648 -0.437 -0.484 1.00 0.00 N ATOM 291 CA PHE A 153 19.111 0.440 0.543 1.00 0.00 C ATOM 292 C PHE A 153 19.894 0.299 1.850 1.00 0.00 C ATOM 293 O PHE A 153 20.824 -0.503 1.937 1.00 0.00 O ATOM 294 CB PHE A 153 17.662 0.014 0.781 1.00 0.00 C ATOM 295 CG PHE A 153 17.504 -1.452 1.191 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.591 -1.805 2.501 1.00 0.00 C ATOM 297 CD2 PHE A 153 17.276 -2.403 0.244 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.443 -3.166 2.882 1.00 0.00 C ATOM 299 CE2 PHE A 153 17.130 -3.762 0.624 1.00 0.00 C ATOM 300 CZ PHE A 153 17.216 -4.115 1.935 1.00 0.00 C ATOM 0 H PHE A 153 19.711 -1.419 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 153 19.182 1.479 0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 153 17.231 0.646 1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 153 17.088 0.190 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 153 17.773 -1.051 3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 153 17.206 -2.123 -0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 153 17.511 -3.446 3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 153 16.951 -4.516 -0.128 1.00 0.00 H new ATOM 0 HZ PHE A 153 17.104 -5.150 2.224 1.00 0.00 H new ATOM 310 N LYS A 154 19.489 1.088 2.833 1.00 0.00 N ATOM 311 CA LYS A 154 20.141 1.061 4.132 1.00 0.00 C ATOM 312 C LYS A 154 19.092 0.819 5.219 1.00 0.00 C ATOM 313 O LYS A 154 17.905 0.688 4.923 1.00 0.00 O ATOM 314 CB LYS A 154 20.965 2.332 4.343 1.00 0.00 C ATOM 315 CG LYS A 154 22.447 2.079 4.058 1.00 0.00 C ATOM 316 CD LYS A 154 23.268 3.355 4.253 1.00 0.00 C ATOM 317 CE LYS A 154 24.489 3.368 3.330 1.00 0.00 C ATOM 318 NZ LYS A 154 25.589 2.568 3.913 1.00 0.00 N ATOM 0 H LYS A 154 18.717 1.751 2.757 1.00 0.00 H new ATOM 0 HA LYS A 154 20.851 0.236 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 154 20.595 3.122 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 154 20.843 2.683 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 154 22.820 1.297 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 154 22.568 1.717 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 154 22.646 4.227 4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 154 23.592 3.428 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 154 24.218 2.967 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 154 24.822 4.394 3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 26.409 2.588 3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 25.858 2.968 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 25.273 1.585 4.041 1.00 0.00 H new ATOM 332 N LYS A 155 19.568 0.767 6.454 1.00 0.00 N ATOM 333 CA LYS A 155 18.686 0.543 7.587 1.00 0.00 C ATOM 334 C LYS A 155 18.066 1.875 8.016 1.00 0.00 C ATOM 335 O LYS A 155 18.518 2.491 8.981 1.00 0.00 O ATOM 336 CB LYS A 155 19.431 -0.179 8.711 1.00 0.00 C ATOM 337 CG LYS A 155 18.930 0.277 10.083 1.00 0.00 C ATOM 338 CD LYS A 155 20.031 1.007 10.854 1.00 0.00 C ATOM 339 CE LYS A 155 20.644 2.124 10.008 1.00 0.00 C ATOM 340 NZ LYS A 155 22.083 2.278 10.316 1.00 0.00 N ATOM 0 H LYS A 155 20.553 0.876 6.695 1.00 0.00 H new ATOM 0 HA LYS A 155 17.864 -0.116 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 155 19.294 -1.256 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.500 0.016 8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 155 18.070 0.935 9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 155 18.591 -0.586 10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.620 1.425 11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 155 20.807 0.299 11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 155 20.515 1.899 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 155 20.123 3.062 10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 22.483 3.040 9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 22.199 2.514 11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 22.579 1.388 10.110 1.00 0.00 H new ATOM 354 N GLY A 156 17.042 2.280 7.280 1.00 0.00 N ATOM 355 CA GLY A 156 16.356 3.526 7.572 1.00 0.00 C ATOM 356 C GLY A 156 16.127 4.338 6.297 1.00 0.00 C ATOM 357 O GLY A 156 15.930 5.551 6.355 1.00 0.00 O ATOM 0 H GLY A 156 16.671 1.766 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 156 15.399 3.315 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 156 16.943 4.111 8.279 1.00 0.00 H new ATOM 361 N ASP A 157 16.160 3.637 5.172 1.00 0.00 N ATOM 362 CA ASP A 157 15.958 4.277 3.884 1.00 0.00 C ATOM 363 C ASP A 157 14.469 4.249 3.533 1.00 0.00 C ATOM 364 O ASP A 157 13.762 3.307 3.889 1.00 0.00 O ATOM 365 CB ASP A 157 16.719 3.543 2.778 1.00 0.00 C ATOM 366 CG ASP A 157 16.392 3.999 1.356 1.00 0.00 C ATOM 367 OD1 ASP A 157 16.791 5.134 1.017 1.00 0.00 O ATOM 368 OD2 ASP A 157 15.749 3.202 0.638 1.00 0.00 O ATOM 0 H ASP A 157 16.324 2.631 5.127 1.00 0.00 H new ATOM 0 HA ASP A 157 16.325 5.301 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 157 17.788 3.670 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 157 16.508 2.477 2.859 1.00 0.00 H new ATOM 373 N ILE A 158 14.038 5.290 2.838 1.00 0.00 N ATOM 374 CA ILE A 158 12.645 5.396 2.434 1.00 0.00 C ATOM 375 C ILE A 158 12.546 5.241 0.916 1.00 0.00 C ATOM 376 O ILE A 158 13.349 5.808 0.176 1.00 0.00 O ATOM 377 CB ILE A 158 12.032 6.696 2.960 1.00 0.00 C ATOM 378 CG1 ILE A 158 10.519 6.718 2.735 1.00 0.00 C ATOM 379 CG2 ILE A 158 12.722 7.915 2.348 1.00 0.00 C ATOM 380 CD1 ILE A 158 9.855 5.481 3.341 1.00 0.00 C ATOM 0 H ILE A 158 14.628 6.068 2.544 1.00 0.00 H new ATOM 0 HA ILE A 158 12.058 4.591 2.877 1.00 0.00 H new ATOM 0 HB ILE A 158 12.198 6.741 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 158 10.095 7.618 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 158 10.308 6.762 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 158 12.267 8.825 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 158 13.781 7.900 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 158 12.610 7.890 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 158 8.780 5.523 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 158 10.264 4.584 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 158 10.048 5.453 4.414 1.00 0.00 H new ATOM 392 N LEU A 159 11.555 4.469 0.496 1.00 0.00 N ATOM 393 CA LEU A 159 11.340 4.232 -0.922 1.00 0.00 C ATOM 394 C LEU A 159 9.837 4.187 -1.205 1.00 0.00 C ATOM 395 O LEU A 159 9.030 4.100 -0.281 1.00 0.00 O ATOM 396 CB LEU A 159 12.087 2.975 -1.374 1.00 0.00 C ATOM 397 CG LEU A 159 13.424 2.703 -0.679 1.00 0.00 C ATOM 398 CD1 LEU A 159 13.259 1.682 0.447 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.489 2.275 -1.690 1.00 0.00 C ATOM 0 H LEU A 159 10.892 3.999 1.112 1.00 0.00 H new ATOM 0 HA LEU A 159 11.752 5.051 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.437 2.114 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.266 3.049 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 159 13.767 3.631 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 159 14.223 1.507 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 159 12.554 2.065 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 159 12.882 0.745 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 159 15.429 2.088 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 159 14.166 1.365 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.632 3.067 -2.425 1.00 0.00 H new ATOM 411 N ARG A 160 9.506 4.251 -2.487 1.00 0.00 N ATOM 412 CA ARG A 160 8.116 4.220 -2.903 1.00 0.00 C ATOM 413 C ARG A 160 7.836 2.961 -3.726 1.00 0.00 C ATOM 414 O ARG A 160 8.706 2.484 -4.454 1.00 0.00 O ATOM 415 CB ARG A 160 7.761 5.454 -3.736 1.00 0.00 C ATOM 416 CG ARG A 160 7.795 5.134 -5.232 1.00 0.00 C ATOM 417 CD ARG A 160 7.666 6.410 -6.067 1.00 0.00 C ATOM 418 NE ARG A 160 9.009 6.915 -6.431 1.00 0.00 N ATOM 419 CZ ARG A 160 9.693 7.815 -5.712 1.00 0.00 C ATOM 420 NH1 ARG A 160 9.164 8.315 -4.587 1.00 0.00 N ATOM 421 NH2 ARG A 160 10.905 8.216 -6.119 1.00 0.00 N ATOM 0 H ARG A 160 10.178 4.324 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 160 7.502 4.215 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.769 5.811 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 160 8.462 6.259 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 160 8.728 4.626 -5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.984 4.449 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.088 6.207 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.123 7.169 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 160 9.441 6.555 -7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 160 8.241 8.010 -4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 160 9.685 9.000 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 160 11.307 7.836 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 160 11.426 8.901 -5.572 1.00 0.00 H new ATOM 435 N ILE A 161 6.618 2.459 -3.585 1.00 0.00 N ATOM 436 CA ILE A 161 6.213 1.264 -4.307 1.00 0.00 C ATOM 437 C ILE A 161 5.653 1.664 -5.673 1.00 0.00 C ATOM 438 O ILE A 161 4.691 2.428 -5.754 1.00 0.00 O ATOM 439 CB ILE A 161 5.245 0.432 -3.465 1.00 0.00 C ATOM 440 CG1 ILE A 161 5.902 -0.869 -2.997 1.00 0.00 C ATOM 441 CG2 ILE A 161 3.940 0.175 -4.222 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.310 -0.608 -2.457 1.00 0.00 C ATOM 0 H ILE A 161 5.898 2.858 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 161 7.073 0.620 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 161 4.992 1.004 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.291 -1.331 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 161 5.952 -1.575 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.270 -0.419 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.465 1.126 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.154 -0.366 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 161 7.755 -1.548 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 161 7.925 -0.168 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 161 7.254 0.079 -1.613 1.00 0.00 H new ATOM 454 N ARG A 162 6.276 1.131 -6.713 1.00 0.00 N ATOM 455 CA ARG A 162 5.851 1.423 -8.071 1.00 0.00 C ATOM 456 C ARG A 162 5.126 0.217 -8.671 1.00 0.00 C ATOM 457 O ARG A 162 4.068 0.365 -9.281 1.00 0.00 O ATOM 458 CB ARG A 162 7.047 1.783 -8.957 1.00 0.00 C ATOM 459 CG ARG A 162 6.608 2.009 -10.404 1.00 0.00 C ATOM 460 CD ARG A 162 7.754 2.579 -11.243 1.00 0.00 C ATOM 461 NE ARG A 162 7.548 4.028 -11.463 1.00 0.00 N ATOM 462 CZ ARG A 162 6.805 4.539 -12.455 1.00 0.00 C ATOM 463 NH1 ARG A 162 6.195 3.721 -13.323 1.00 0.00 N ATOM 464 NH2 ARG A 162 6.674 5.866 -12.579 1.00 0.00 N ATOM 0 H ARG A 162 7.073 0.498 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 162 5.173 2.276 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.530 2.683 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.787 0.983 -8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 162 6.270 1.067 -10.836 1.00 0.00 H new ATOM 0 HG3 ARG A 162 5.760 2.693 -10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 162 8.705 2.411 -10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.807 2.061 -12.201 1.00 0.00 H new ATOM 0 HE ARG A 162 7.999 4.678 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 162 6.296 2.710 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 162 5.629 4.109 -14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 162 7.140 6.488 -11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 162 6.109 6.254 -13.334 1.00 0.00 H new ATOM 478 N ASP A 163 5.722 -0.949 -8.477 1.00 0.00 N ATOM 479 CA ASP A 163 5.146 -2.180 -8.991 1.00 0.00 C ATOM 480 C ASP A 163 5.512 -3.338 -8.060 1.00 0.00 C ATOM 481 O ASP A 163 6.544 -3.300 -7.392 1.00 0.00 O ATOM 482 CB ASP A 163 5.690 -2.503 -10.384 1.00 0.00 C ATOM 483 CG ASP A 163 7.111 -2.005 -10.655 1.00 0.00 C ATOM 484 OD1 ASP A 163 7.343 -0.799 -10.424 1.00 0.00 O ATOM 485 OD2 ASP A 163 7.933 -2.841 -11.086 1.00 0.00 O ATOM 0 H ASP A 163 6.599 -1.068 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 163 4.065 -2.048 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 163 5.667 -3.584 -10.525 1.00 0.00 H new ATOM 0 HB3 ASP A 163 5.021 -2.070 -11.128 1.00 0.00 H new ATOM 490 N LYS A 164 4.646 -4.340 -8.046 1.00 0.00 N ATOM 491 CA LYS A 164 4.864 -5.507 -7.208 1.00 0.00 C ATOM 492 C LYS A 164 4.434 -6.763 -7.967 1.00 0.00 C ATOM 493 O LYS A 164 3.279 -7.176 -7.887 1.00 0.00 O ATOM 494 CB LYS A 164 4.166 -5.335 -5.858 1.00 0.00 C ATOM 495 CG LYS A 164 2.656 -5.170 -6.038 1.00 0.00 C ATOM 496 CD LYS A 164 1.903 -6.390 -5.504 1.00 0.00 C ATOM 497 CE LYS A 164 0.707 -6.730 -6.395 1.00 0.00 C ATOM 498 NZ LYS A 164 -0.374 -5.735 -6.214 1.00 0.00 N ATOM 0 H LYS A 164 3.791 -4.368 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 164 5.924 -5.620 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 164 4.368 -6.201 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 164 4.572 -4.464 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 164 2.320 -4.274 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 164 2.425 -5.030 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 164 2.578 -7.245 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 164 1.560 -6.194 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 164 1.018 -6.751 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 164 0.337 -7.726 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -1.178 -5.981 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -0.682 -5.734 -5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -0.022 -4.790 -6.468 1.00 0.00 H new ATOM 512 N PRO A 165 5.413 -7.351 -8.707 1.00 0.00 N ATOM 513 CA PRO A 165 5.147 -8.551 -9.482 1.00 0.00 C ATOM 514 C PRO A 165 5.049 -9.779 -8.573 1.00 0.00 C ATOM 515 O PRO A 165 4.046 -10.489 -8.589 1.00 0.00 O ATOM 516 CB PRO A 165 6.292 -8.640 -10.477 1.00 0.00 C ATOM 517 CG PRO A 165 7.395 -7.753 -9.923 1.00 0.00 C ATOM 518 CD PRO A 165 6.792 -6.889 -8.827 1.00 0.00 C ATOM 0 HA PRO A 165 4.189 -8.513 -10.001 1.00 0.00 H new ATOM 0 HB2 PRO A 165 6.636 -9.669 -10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 165 5.978 -8.302 -11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 165 8.209 -8.359 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 165 7.816 -7.130 -10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.332 -7.007 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 165 6.834 -5.832 -9.088 1.00 0.00 H new ATOM 526 N GLU A 166 6.106 -9.990 -7.802 1.00 0.00 N ATOM 527 CA GLU A 166 6.152 -11.118 -6.888 1.00 0.00 C ATOM 528 C GLU A 166 5.558 -10.729 -5.532 1.00 0.00 C ATOM 529 O GLU A 166 5.078 -9.609 -5.359 1.00 0.00 O ATOM 530 CB GLU A 166 7.582 -11.639 -6.730 1.00 0.00 C ATOM 531 CG GLU A 166 8.276 -11.754 -8.089 1.00 0.00 C ATOM 532 CD GLU A 166 8.902 -13.139 -8.269 1.00 0.00 C ATOM 533 OE1 GLU A 166 9.896 -13.409 -7.561 1.00 0.00 O ATOM 534 OE2 GLU A 166 8.372 -13.895 -9.111 1.00 0.00 O ATOM 0 H GLU A 166 6.937 -9.399 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 166 5.551 -11.924 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.148 -10.968 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.566 -12.613 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.556 -11.570 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 166 9.047 -10.988 -8.174 1.00 0.00 H new ATOM 541 N GLU A 167 5.609 -11.675 -4.606 1.00 0.00 N ATOM 542 CA GLU A 167 5.082 -11.445 -3.271 1.00 0.00 C ATOM 543 C GLU A 167 6.222 -11.383 -2.253 1.00 0.00 C ATOM 544 O GLU A 167 5.982 -11.302 -1.050 1.00 0.00 O ATOM 545 CB GLU A 167 4.065 -12.522 -2.890 1.00 0.00 C ATOM 546 CG GLU A 167 3.075 -11.997 -1.848 1.00 0.00 C ATOM 547 CD GLU A 167 3.138 -12.829 -0.565 1.00 0.00 C ATOM 548 OE1 GLU A 167 3.184 -14.072 -0.696 1.00 0.00 O ATOM 549 OE2 GLU A 167 3.137 -12.203 0.518 1.00 0.00 O ATOM 0 H GLU A 167 6.007 -12.602 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 167 4.565 -10.485 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 167 3.524 -12.848 -3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 167 4.585 -13.395 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 167 3.299 -10.955 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 167 2.064 -12.025 -2.255 1.00 0.00 H new ATOM 556 N GLN A 168 7.441 -11.422 -2.774 1.00 0.00 N ATOM 557 CA GLN A 168 8.619 -11.372 -1.926 1.00 0.00 C ATOM 558 C GLN A 168 9.414 -10.093 -2.198 1.00 0.00 C ATOM 559 O GLN A 168 9.797 -9.388 -1.266 1.00 0.00 O ATOM 560 CB GLN A 168 9.492 -12.613 -2.125 1.00 0.00 C ATOM 561 CG GLN A 168 8.772 -13.873 -1.640 1.00 0.00 C ATOM 562 CD GLN A 168 9.210 -14.242 -0.222 1.00 0.00 C ATOM 563 OE1 GLN A 168 8.866 -13.590 0.751 1.00 0.00 O ATOM 564 NE2 GLN A 168 9.985 -15.321 -0.157 1.00 0.00 N ATOM 0 H GLN A 168 7.637 -11.488 -3.773 1.00 0.00 H new ATOM 0 HA GLN A 168 8.294 -11.361 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 168 9.746 -12.718 -3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 168 10.429 -12.494 -1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 168 7.694 -13.711 -1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.984 -14.701 -2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 168 10.236 -15.821 -1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.329 -15.648 0.746 1.00 0.00 H new ATOM 573 N TRP A 169 9.637 -9.833 -3.477 1.00 0.00 N ATOM 574 CA TRP A 169 10.379 -8.652 -3.883 1.00 0.00 C ATOM 575 C TRP A 169 9.382 -7.634 -4.438 1.00 0.00 C ATOM 576 O TRP A 169 8.411 -8.007 -5.096 1.00 0.00 O ATOM 577 CB TRP A 169 11.482 -9.013 -4.879 1.00 0.00 C ATOM 578 CG TRP A 169 12.780 -9.493 -4.226 1.00 0.00 C ATOM 579 CD1 TRP A 169 13.118 -10.745 -3.886 1.00 0.00 C ATOM 580 CD2 TRP A 169 13.905 -8.675 -3.845 1.00 0.00 C ATOM 581 NE1 TRP A 169 14.374 -10.792 -3.316 1.00 0.00 N ATOM 582 CE2 TRP A 169 14.867 -9.492 -3.290 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.103 -7.288 -3.966 1.00 0.00 C ATOM 584 CZ2 TRP A 169 16.095 -9.018 -2.812 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.334 -6.828 -3.482 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.315 -7.640 -2.921 1.00 0.00 C ATOM 0 H TRP A 169 9.317 -10.421 -4.247 1.00 0.00 H new ATOM 0 HA TRP A 169 10.892 -8.207 -3.030 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.114 -9.792 -5.546 1.00 0.00 H new ATOM 0 HB3 TRP A 169 11.699 -8.141 -5.496 1.00 0.00 H new ATOM 0 HD1 TRP A 169 12.487 -11.608 -4.039 1.00 0.00 H new ATOM 0 HE1 TRP A 169 14.852 -11.626 -2.976 1.00 0.00 H new ATOM 0 HE3 TRP A 169 13.364 -6.630 -4.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 16.832 -9.680 -2.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 15.536 -5.769 -3.549 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.242 -7.209 -2.571 1.00 0.00 H new ATOM 597 N TRP A 170 9.653 -6.369 -4.151 1.00 0.00 N ATOM 598 CA TRP A 170 8.791 -5.295 -4.614 1.00 0.00 C ATOM 599 C TRP A 170 9.661 -4.272 -5.346 1.00 0.00 C ATOM 600 O TRP A 170 10.744 -3.924 -4.876 1.00 0.00 O ATOM 601 CB TRP A 170 8.002 -4.687 -3.453 1.00 0.00 C ATOM 602 CG TRP A 170 6.728 -5.456 -3.095 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.176 -6.487 -3.749 1.00 0.00 C ATOM 604 CD2 TRP A 170 5.863 -5.210 -1.966 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.024 -6.923 -3.126 1.00 0.00 N ATOM 606 CE2 TRP A 170 4.828 -6.122 -2.007 1.00 0.00 C ATOM 607 CE3 TRP A 170 5.954 -4.249 -0.943 1.00 0.00 C ATOM 608 CZ2 TRP A 170 3.805 -6.162 -1.053 1.00 0.00 C ATOM 609 CZ3 TRP A 170 4.924 -4.304 0.003 1.00 0.00 C ATOM 610 CH2 TRP A 170 3.873 -5.215 -0.025 1.00 0.00 C ATOM 0 H TRP A 170 10.458 -6.064 -3.603 1.00 0.00 H new ATOM 0 HA TRP A 170 8.042 -5.674 -5.309 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.646 -4.642 -2.574 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.736 -3.661 -3.706 1.00 0.00 H new ATOM 0 HD1 TRP A 170 6.582 -6.922 -4.650 1.00 0.00 H new ATOM 0 HE1 TRP A 170 4.427 -7.692 -3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.755 -3.526 -0.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.005 -6.886 -1.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 4.947 -3.589 0.812 1.00 0.00 H new ATOM 0 HH2 TRP A 170 3.114 -5.191 0.743 1.00 0.00 H new ATOM 621 N ASN A 171 9.156 -3.820 -6.484 1.00 0.00 N ATOM 622 CA ASN A 171 9.875 -2.843 -7.286 1.00 0.00 C ATOM 623 C ASN A 171 9.498 -1.434 -6.824 1.00 0.00 C ATOM 624 O ASN A 171 8.480 -0.889 -7.248 1.00 0.00 O ATOM 625 CB ASN A 171 9.508 -2.969 -8.766 1.00 0.00 C ATOM 626 CG ASN A 171 10.010 -4.294 -9.344 1.00 0.00 C ATOM 627 OD1 ASN A 171 10.971 -4.350 -10.094 1.00 0.00 O ATOM 628 ND2 ASN A 171 9.306 -5.354 -8.956 1.00 0.00 N ATOM 0 H ASN A 171 8.258 -4.112 -6.870 1.00 0.00 H new ATOM 0 HA ASN A 171 10.943 -3.024 -7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 171 8.426 -2.904 -8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 171 9.940 -2.138 -9.324 1.00 0.00 H new ATOM 0 HD21 ASN A 171 9.560 -6.284 -9.288 1.00 0.00 H new ATOM 0 HD22 ASN A 171 8.512 -5.236 -8.326 1.00 0.00 H new ATOM 635 N ALA A 172 10.340 -0.884 -5.961 1.00 0.00 N ATOM 636 CA ALA A 172 10.107 0.451 -5.437 1.00 0.00 C ATOM 637 C ALA A 172 11.149 1.409 -6.016 1.00 0.00 C ATOM 638 O ALA A 172 12.194 0.977 -6.499 1.00 0.00 O ATOM 639 CB ALA A 172 10.138 0.411 -3.907 1.00 0.00 C ATOM 0 H ALA A 172 11.184 -1.338 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 172 9.123 0.815 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 172 9.963 1.412 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.361 -0.262 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 172 11.112 0.054 -3.572 1.00 0.00 H new ATOM 645 N GLU A 173 10.828 2.694 -5.949 1.00 0.00 N ATOM 646 CA GLU A 173 11.722 3.717 -6.461 1.00 0.00 C ATOM 647 C GLU A 173 12.453 4.408 -5.308 1.00 0.00 C ATOM 648 O GLU A 173 11.826 4.850 -4.347 1.00 0.00 O ATOM 649 CB GLU A 173 10.962 4.733 -7.316 1.00 0.00 C ATOM 650 CG GLU A 173 11.240 4.514 -8.805 1.00 0.00 C ATOM 651 CD GLU A 173 10.271 5.323 -9.669 1.00 0.00 C ATOM 652 OE1 GLU A 173 9.091 4.917 -9.730 1.00 0.00 O ATOM 653 OE2 GLU A 173 10.732 6.330 -10.247 1.00 0.00 O ATOM 0 H GLU A 173 9.960 3.049 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 173 12.463 3.237 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.892 4.646 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 173 11.255 5.744 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.266 4.804 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 173 11.148 3.454 -9.044 1.00 0.00 H new ATOM 660 N ASP A 174 13.769 4.480 -5.442 1.00 0.00 N ATOM 661 CA ASP A 174 14.592 5.110 -4.423 1.00 0.00 C ATOM 662 C ASP A 174 14.361 6.623 -4.452 1.00 0.00 C ATOM 663 O ASP A 174 13.853 7.158 -5.435 1.00 0.00 O ATOM 664 CB ASP A 174 16.078 4.854 -4.679 1.00 0.00 C ATOM 665 CG ASP A 174 16.941 4.741 -3.421 1.00 0.00 C ATOM 666 OD1 ASP A 174 16.523 5.316 -2.392 1.00 0.00 O ATOM 667 OD2 ASP A 174 17.998 4.081 -3.515 1.00 0.00 O ATOM 0 H ASP A 174 14.286 4.113 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 174 14.315 4.688 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 174 16.179 3.934 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.469 5.661 -5.298 1.00 0.00 H new ATOM 672 N SER A 175 14.747 7.269 -3.361 1.00 0.00 N ATOM 673 CA SER A 175 14.589 8.709 -3.248 1.00 0.00 C ATOM 674 C SER A 175 15.206 9.399 -4.466 1.00 0.00 C ATOM 675 O SER A 175 14.874 10.544 -4.768 1.00 0.00 O ATOM 676 CB SER A 175 15.226 9.234 -1.960 1.00 0.00 C ATOM 677 OG SER A 175 14.756 10.536 -1.624 1.00 0.00 O ATOM 0 H SER A 175 15.169 6.821 -2.547 1.00 0.00 H new ATOM 0 HA SER A 175 13.523 8.935 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 175 15.008 8.548 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 175 16.310 9.258 -2.075 1.00 0.00 H new ATOM 0 HG SER A 175 15.185 10.835 -0.795 1.00 0.00 H new ATOM 683 N GLU A 176 16.092 8.674 -5.132 1.00 0.00 N ATOM 684 CA GLU A 176 16.759 9.204 -6.309 1.00 0.00 C ATOM 685 C GLU A 176 15.824 9.144 -7.519 1.00 0.00 C ATOM 686 O GLU A 176 15.987 9.905 -8.472 1.00 0.00 O ATOM 687 CB GLU A 176 18.062 8.452 -6.585 1.00 0.00 C ATOM 688 CG GLU A 176 18.999 8.515 -5.377 1.00 0.00 C ATOM 689 CD GLU A 176 19.802 9.817 -5.374 1.00 0.00 C ATOM 690 OE1 GLU A 176 20.699 9.932 -6.237 1.00 0.00 O ATOM 691 OE2 GLU A 176 19.503 10.667 -4.508 1.00 0.00 O ATOM 0 H GLU A 176 16.364 7.724 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 176 17.013 10.247 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.842 7.412 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.557 8.882 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 176 18.418 8.439 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 176 19.680 7.664 -5.395 1.00 0.00 H new ATOM 698 N GLY A 177 14.866 8.232 -7.442 1.00 0.00 N ATOM 699 CA GLY A 177 13.905 8.064 -8.520 1.00 0.00 C ATOM 700 C GLY A 177 14.296 6.892 -9.423 1.00 0.00 C ATOM 701 O GLY A 177 13.999 6.899 -10.617 1.00 0.00 O ATOM 0 H GLY A 177 14.734 7.602 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 177 12.912 7.892 -8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 177 13.850 8.979 -9.109 1.00 0.00 H new ATOM 705 N LYS A 178 14.952 5.913 -8.818 1.00 0.00 N ATOM 706 CA LYS A 178 15.386 4.737 -9.553 1.00 0.00 C ATOM 707 C LYS A 178 14.478 3.557 -9.199 1.00 0.00 C ATOM 708 O LYS A 178 14.323 3.219 -8.027 1.00 0.00 O ATOM 709 CB LYS A 178 16.872 4.467 -9.304 1.00 0.00 C ATOM 710 CG LYS A 178 17.206 4.577 -7.815 1.00 0.00 C ATOM 711 CD LYS A 178 18.558 3.927 -7.508 1.00 0.00 C ATOM 712 CE LYS A 178 18.998 4.231 -6.074 1.00 0.00 C ATOM 713 NZ LYS A 178 20.422 4.633 -6.044 1.00 0.00 N ATOM 0 H LYS A 178 15.194 5.910 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 178 15.292 4.902 -10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 178 17.130 3.472 -9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.474 5.178 -9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 178 17.227 5.626 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 178 16.425 4.096 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 178 18.488 2.849 -7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 178 19.309 4.293 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 178 18.380 5.027 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 178 18.849 3.352 -5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 20.705 4.836 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 21.009 3.861 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 20.555 5.485 -6.626 1.00 0.00 H new ATOM 727 N ARG A 179 13.902 2.964 -10.235 1.00 0.00 N ATOM 728 CA ARG A 179 13.014 1.830 -10.048 1.00 0.00 C ATOM 729 C ARG A 179 13.819 0.532 -9.975 1.00 0.00 C ATOM 730 O ARG A 179 14.440 0.125 -10.956 1.00 0.00 O ATOM 731 CB ARG A 179 12.001 1.729 -11.191 1.00 0.00 C ATOM 732 CG ARG A 179 11.780 3.093 -11.848 1.00 0.00 C ATOM 733 CD ARG A 179 10.464 3.117 -12.630 1.00 0.00 C ATOM 734 NE ARG A 179 10.689 3.680 -13.981 1.00 0.00 N ATOM 735 CZ ARG A 179 9.899 3.439 -15.036 1.00 0.00 C ATOM 736 NH1 ARG A 179 8.828 2.643 -14.903 1.00 0.00 N ATOM 737 NH2 ARG A 179 10.179 3.992 -16.223 1.00 0.00 N ATOM 0 H ARG A 179 14.033 3.248 -11.206 1.00 0.00 H new ATOM 0 HA ARG A 179 12.476 1.982 -9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.356 1.016 -11.935 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.054 1.347 -10.810 1.00 0.00 H new ATOM 0 HG2 ARG A 179 11.768 3.871 -11.085 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.610 3.317 -12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.060 2.108 -12.710 1.00 0.00 H new ATOM 0 HD3 ARG A 179 9.725 3.714 -12.096 1.00 0.00 H new ATOM 0 HE ARG A 179 11.496 4.289 -14.117 1.00 0.00 H new ATOM 0 HH11 ARG A 179 8.615 2.221 -13.999 1.00 0.00 H new ATOM 0 HH12 ARG A 179 8.226 2.459 -15.706 1.00 0.00 H new ATOM 0 HH21 ARG A 179 10.994 4.597 -16.324 1.00 0.00 H new ATOM 0 HH22 ARG A 179 9.577 3.808 -17.026 1.00 0.00 H new ATOM 751 N GLY A 180 13.784 -0.085 -8.802 1.00 0.00 N ATOM 752 CA GLY A 180 14.502 -1.329 -8.588 1.00 0.00 C ATOM 753 C GLY A 180 13.744 -2.240 -7.621 1.00 0.00 C ATOM 754 O GLY A 180 12.701 -1.861 -7.093 1.00 0.00 O ATOM 0 H GLY A 180 13.269 0.255 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.643 -1.840 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.495 -1.116 -8.191 1.00 0.00 H new ATOM 758 N MET A 181 14.299 -3.427 -7.419 1.00 0.00 N ATOM 759 CA MET A 181 13.689 -4.396 -6.525 1.00 0.00 C ATOM 760 C MET A 181 14.137 -4.168 -5.080 1.00 0.00 C ATOM 761 O MET A 181 15.286 -3.805 -4.833 1.00 0.00 O ATOM 762 CB MET A 181 14.077 -5.810 -6.963 1.00 0.00 C ATOM 763 CG MET A 181 12.934 -6.481 -7.727 1.00 0.00 C ATOM 764 SD MET A 181 13.570 -7.304 -9.178 1.00 0.00 S ATOM 765 CE MET A 181 12.288 -6.894 -10.353 1.00 0.00 C ATOM 0 H MET A 181 15.164 -3.739 -7.859 1.00 0.00 H new ATOM 0 HA MET A 181 12.607 -4.275 -6.573 1.00 0.00 H new ATOM 0 HB2 MET A 181 14.965 -5.768 -7.593 1.00 0.00 H new ATOM 0 HB3 MET A 181 14.335 -6.408 -6.089 1.00 0.00 H new ATOM 0 HG2 MET A 181 12.428 -7.200 -7.083 1.00 0.00 H new ATOM 0 HG3 MET A 181 12.193 -5.736 -8.017 1.00 0.00 H new ATOM 0 HE1 MET A 181 12.169 -7.713 -11.062 1.00 0.00 H new ATOM 0 HE2 MET A 181 11.348 -6.732 -9.825 1.00 0.00 H new ATOM 0 HE3 MET A 181 12.563 -5.986 -10.890 1.00 0.00 H new ATOM 775 N ILE A 182 13.206 -4.390 -4.163 1.00 0.00 N ATOM 776 CA ILE A 182 13.491 -4.213 -2.750 1.00 0.00 C ATOM 777 C ILE A 182 12.764 -5.294 -1.949 1.00 0.00 C ATOM 778 O ILE A 182 11.655 -5.696 -2.303 1.00 0.00 O ATOM 779 CB ILE A 182 13.151 -2.787 -2.309 1.00 0.00 C ATOM 780 CG1 ILE A 182 14.219 -2.237 -1.362 1.00 0.00 C ATOM 781 CG2 ILE A 182 11.751 -2.722 -1.695 1.00 0.00 C ATOM 782 CD1 ILE A 182 14.573 -0.792 -1.717 1.00 0.00 C ATOM 0 H ILE A 182 12.254 -4.691 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 182 14.557 -4.336 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 182 13.145 -2.148 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 182 13.859 -2.285 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 182 15.113 -2.858 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 182 11.535 -1.698 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 182 11.015 -3.045 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 182 11.704 -3.377 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 182 15.334 -0.424 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 182 14.955 -0.751 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 182 13.682 -0.169 -1.638 1.00 0.00 H new ATOM 794 N PRO A 183 13.433 -5.746 -0.855 1.00 0.00 N ATOM 795 CA PRO A 183 12.861 -6.774 0.000 1.00 0.00 C ATOM 796 C PRO A 183 11.746 -6.200 0.877 1.00 0.00 C ATOM 797 O PRO A 183 11.868 -5.091 1.395 1.00 0.00 O ATOM 798 CB PRO A 183 14.032 -7.311 0.806 1.00 0.00 C ATOM 799 CG PRO A 183 15.123 -6.256 0.711 1.00 0.00 C ATOM 800 CD PRO A 183 14.745 -5.294 -0.404 1.00 0.00 C ATOM 0 HA PRO A 183 12.383 -7.574 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.745 -7.484 1.843 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.376 -8.265 0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 183 15.223 -5.724 1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 183 16.087 -6.721 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.707 -4.266 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.473 -5.321 -1.214 1.00 0.00 H new ATOM 808 N VAL A 184 10.685 -6.981 1.015 1.00 0.00 N ATOM 809 CA VAL A 184 9.550 -6.564 1.820 1.00 0.00 C ATOM 810 C VAL A 184 9.853 -6.825 3.297 1.00 0.00 C ATOM 811 O VAL A 184 9.397 -6.086 4.168 1.00 0.00 O ATOM 812 CB VAL A 184 8.280 -7.270 1.338 1.00 0.00 C ATOM 813 CG1 VAL A 184 7.096 -6.956 2.256 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.963 -6.897 -0.111 1.00 0.00 C ATOM 0 H VAL A 184 10.587 -7.900 0.583 1.00 0.00 H new ATOM 0 HA VAL A 184 9.376 -5.494 1.708 1.00 0.00 H new ATOM 0 HB VAL A 184 8.458 -8.345 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.207 -7.470 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.321 -7.293 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.917 -5.881 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 184 7.056 -7.412 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.814 -5.820 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.793 -7.193 -0.753 1.00 0.00 H new ATOM 824 N PRO A 185 10.643 -7.906 3.539 1.00 0.00 N ATOM 825 CA PRO A 185 11.014 -8.272 4.896 1.00 0.00 C ATOM 826 C PRO A 185 12.081 -7.325 5.448 1.00 0.00 C ATOM 827 O PRO A 185 12.079 -7.006 6.636 1.00 0.00 O ATOM 828 CB PRO A 185 11.491 -9.712 4.798 1.00 0.00 C ATOM 829 CG PRO A 185 11.808 -9.946 3.330 1.00 0.00 C ATOM 830 CD PRO A 185 11.202 -8.803 2.533 1.00 0.00 C ATOM 0 HA PRO A 185 10.183 -8.188 5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.372 -9.875 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.723 -10.403 5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.886 -9.990 3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.399 -10.901 2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.956 -8.299 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.432 -9.161 1.850 1.00 0.00 H new ATOM 838 N TYR A 186 12.968 -6.902 4.559 1.00 0.00 N ATOM 839 CA TYR A 186 14.038 -5.997 4.942 1.00 0.00 C ATOM 840 C TYR A 186 13.591 -4.538 4.828 1.00 0.00 C ATOM 841 O TYR A 186 14.419 -3.629 4.838 1.00 0.00 O ATOM 842 CB TYR A 186 15.177 -6.249 3.952 1.00 0.00 C ATOM 843 CG TYR A 186 16.310 -7.111 4.513 1.00 0.00 C ATOM 844 CD1 TYR A 186 16.027 -8.333 5.087 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.614 -6.666 4.445 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.092 -9.146 5.614 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.680 -7.478 4.972 1.00 0.00 C ATOM 848 CZ TYR A 186 18.367 -8.678 5.530 1.00 0.00 C ATOM 849 OH TYR A 186 19.373 -9.445 6.030 1.00 0.00 O ATOM 0 H TYR A 186 12.967 -7.169 3.575 1.00 0.00 H new ATOM 0 HA TYR A 186 14.336 -6.171 5.976 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.772 -6.733 3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.587 -5.290 3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 186 15.006 -8.680 5.141 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.835 -5.709 3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 186 16.884 -10.105 6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.705 -7.142 4.925 1.00 0.00 H new ATOM 0 HH TYR A 186 19.226 -9.594 6.987 1.00 0.00 H new ATOM 859 N VAL A 187 12.283 -4.360 4.721 1.00 0.00 N ATOM 860 CA VAL A 187 11.715 -3.027 4.604 1.00 0.00 C ATOM 861 C VAL A 187 10.290 -3.034 5.160 1.00 0.00 C ATOM 862 O VAL A 187 9.694 -4.095 5.338 1.00 0.00 O ATOM 863 CB VAL A 187 11.789 -2.553 3.151 1.00 0.00 C ATOM 864 CG1 VAL A 187 13.136 -2.917 2.523 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.629 -3.120 2.330 1.00 0.00 C ATOM 0 H VAL A 187 11.599 -5.117 4.713 1.00 0.00 H new ATOM 0 HA VAL A 187 12.290 -2.313 5.194 1.00 0.00 H new ATOM 0 HB VAL A 187 11.702 -1.467 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 187 13.162 -2.569 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 187 13.940 -2.443 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.267 -3.999 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.705 -2.768 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.671 -4.209 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.683 -2.787 2.758 1.00 0.00 H new ATOM 875 N GLU A 188 9.784 -1.837 5.417 1.00 0.00 N ATOM 876 CA GLU A 188 8.439 -1.691 5.949 1.00 0.00 C ATOM 877 C GLU A 188 7.574 -0.876 4.985 1.00 0.00 C ATOM 878 O GLU A 188 7.922 -0.714 3.818 1.00 0.00 O ATOM 879 CB GLU A 188 8.465 -1.052 7.338 1.00 0.00 C ATOM 880 CG GLU A 188 9.666 -1.546 8.147 1.00 0.00 C ATOM 881 CD GLU A 188 9.233 -2.035 9.530 1.00 0.00 C ATOM 882 OE1 GLU A 188 9.002 -1.162 10.394 1.00 0.00 O ATOM 883 OE2 GLU A 188 9.143 -3.271 9.693 1.00 0.00 O ATOM 0 H GLU A 188 10.281 -0.959 5.267 1.00 0.00 H new ATOM 0 HA GLU A 188 7.999 -2.683 6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 188 8.508 0.033 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.543 -1.289 7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 188 10.162 -2.355 7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.393 -0.741 8.253 1.00 0.00 H new ATOM 890 N LYS A 189 6.462 -0.382 5.513 1.00 0.00 N ATOM 891 CA LYS A 189 5.545 0.412 4.716 1.00 0.00 C ATOM 892 C LYS A 189 5.469 1.828 5.291 1.00 0.00 C ATOM 893 O LYS A 189 5.643 2.023 6.493 1.00 0.00 O ATOM 894 CB LYS A 189 4.185 -0.283 4.611 1.00 0.00 C ATOM 895 CG LYS A 189 4.297 -1.592 3.827 1.00 0.00 C ATOM 896 CD LYS A 189 4.337 -1.327 2.321 1.00 0.00 C ATOM 897 CE LYS A 189 2.993 -1.665 1.670 1.00 0.00 C ATOM 898 NZ LYS A 189 2.175 -0.442 1.505 1.00 0.00 N ATOM 0 H LYS A 189 6.177 -0.517 6.483 1.00 0.00 H new ATOM 0 HA LYS A 189 5.911 0.502 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 189 3.798 -0.485 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.471 0.379 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 189 5.198 -2.126 4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 189 3.450 -2.236 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 189 4.581 -0.280 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 189 5.127 -1.923 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 189 3.160 -2.132 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 189 2.457 -2.388 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 1.267 -0.689 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 2.001 -0.013 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 2.682 0.236 0.901 1.00 0.00 H new