USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=5 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 164 LYS NZ :NH3+ -163:sc= -0.229 (180deg=-0.607) USER MOD Set 1.2: A 189 LYS NZ :NH3+ 180:sc= 0 (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 168 GLN : amide:sc= -0.0672 K(o=-0.067,f=-1.5!) USER MOD Single : A 171 ASN : amide:sc= -0.0112 K(o=-0.011,f=-2.1) 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 181 MET CE :methyl 175:sc= 0 (180deg=-0.0161) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 136 5.089 3.681 -0.197 1.00 0.00 N ATOM 27 CA TYR A 136 6.417 3.876 0.359 1.00 0.00 C ATOM 28 C TYR A 136 6.828 2.686 1.229 1.00 0.00 C ATOM 29 O TYR A 136 5.981 1.899 1.649 1.00 0.00 O ATOM 30 CB TYR A 136 6.329 5.127 1.235 1.00 0.00 C ATOM 31 CG TYR A 136 5.935 6.394 0.474 1.00 0.00 C ATOM 32 CD1 TYR A 136 4.645 6.546 0.009 1.00 0.00 C ATOM 33 CD2 TYR A 136 6.870 7.385 0.253 1.00 0.00 C ATOM 34 CE1 TYR A 136 4.274 7.738 -0.708 1.00 0.00 C ATOM 35 CE2 TYR A 136 6.499 8.577 -0.464 1.00 0.00 C ATOM 36 CZ TYR A 136 5.219 8.695 -0.909 1.00 0.00 C ATOM 37 OH TYR A 136 4.869 9.822 -1.587 1.00 0.00 O ATOM 0 HA TYR A 136 7.155 3.975 -0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 136 5.603 4.952 2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 136 7.294 5.290 1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 136 3.913 5.771 0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 136 7.880 7.266 0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 136 3.268 7.869 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 136 7.221 9.360 -0.645 1.00 0.00 H new ATOM 0 HH TYR A 136 5.644 10.417 -1.654 1.00 0.00 H new ATOM 47 N VAL A 137 8.125 2.592 1.474 1.00 0.00 N ATOM 48 CA VAL A 137 8.658 1.511 2.286 1.00 0.00 C ATOM 49 C VAL A 137 9.862 2.021 3.081 1.00 0.00 C ATOM 50 O VAL A 137 10.591 2.896 2.617 1.00 0.00 O ATOM 51 CB VAL A 137 8.992 0.308 1.402 1.00 0.00 C ATOM 52 CG1 VAL A 137 7.741 -0.524 1.113 1.00 0.00 C ATOM 53 CG2 VAL A 137 9.667 0.752 0.104 1.00 0.00 C ATOM 0 H VAL A 137 8.824 3.247 1.124 1.00 0.00 H new ATOM 0 HA VAL A 137 7.913 1.172 3.006 1.00 0.00 H new ATOM 0 HB VAL A 137 9.695 -0.322 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 137 8.006 -1.373 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 137 7.320 -0.886 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 137 7.004 0.093 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 137 9.894 -0.123 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.998 1.414 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 137 10.591 1.281 0.337 1.00 0.00 H new ATOM 63 N ARG A 138 10.031 1.453 4.266 1.00 0.00 N ATOM 64 CA ARG A 138 11.134 1.839 5.130 1.00 0.00 C ATOM 65 C ARG A 138 12.115 0.676 5.293 1.00 0.00 C ATOM 66 O ARG A 138 11.778 -0.345 5.892 1.00 0.00 O ATOM 67 CB ARG A 138 10.629 2.269 6.509 1.00 0.00 C ATOM 68 CG ARG A 138 11.745 2.184 7.552 1.00 0.00 C ATOM 69 CD ARG A 138 12.249 3.578 7.931 1.00 0.00 C ATOM 70 NE ARG A 138 12.558 4.354 6.709 1.00 0.00 N ATOM 71 CZ ARG A 138 13.399 5.396 6.673 1.00 0.00 C ATOM 72 NH1 ARG A 138 14.019 5.795 7.792 1.00 0.00 N ATOM 73 NH2 ARG A 138 13.619 6.041 5.519 1.00 0.00 N ATOM 0 H ARG A 138 9.423 0.729 4.648 1.00 0.00 H new ATOM 0 HA ARG A 138 11.641 2.683 4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 138 10.250 3.290 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.796 1.634 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.378 1.672 8.441 1.00 0.00 H new ATOM 0 HG3 ARG A 138 12.570 1.589 7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 138 11.495 4.098 8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 138 13.140 3.495 8.554 1.00 0.00 H new ATOM 0 HE ARG A 138 12.102 4.078 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 138 13.850 5.305 8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 138 14.659 6.588 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 138 13.146 5.739 4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 138 14.259 6.834 5.492 1.00 0.00 H new ATOM 87 N ALA A 139 13.306 0.868 4.749 1.00 0.00 N ATOM 88 CA ALA A 139 14.338 -0.153 4.825 1.00 0.00 C ATOM 89 C ALA A 139 15.138 0.033 6.117 1.00 0.00 C ATOM 90 O ALA A 139 15.725 1.092 6.341 1.00 0.00 O ATOM 91 CB ALA A 139 15.220 -0.083 3.577 1.00 0.00 C ATOM 0 H ALA A 139 13.581 1.716 4.253 1.00 0.00 H new ATOM 0 HA ALA A 139 13.893 -1.148 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 139 15.994 -0.849 3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.609 -0.250 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.687 0.900 3.516 1.00 0.00 H new ATOM 97 N LEU A 140 15.137 -1.011 6.932 1.00 0.00 N ATOM 98 CA LEU A 140 15.856 -0.976 8.194 1.00 0.00 C ATOM 99 C LEU A 140 16.842 -2.145 8.247 1.00 0.00 C ATOM 100 O LEU A 140 17.183 -2.624 9.327 1.00 0.00 O ATOM 101 CB LEU A 140 14.875 -0.945 9.367 1.00 0.00 C ATOM 102 CG LEU A 140 13.399 -0.771 9.004 1.00 0.00 C ATOM 103 CD1 LEU A 140 12.834 -2.048 8.380 1.00 0.00 C ATOM 104 CD2 LEU A 140 12.585 -0.317 10.218 1.00 0.00 C ATOM 0 H LEU A 140 14.650 -1.887 6.743 1.00 0.00 H new ATOM 0 HA LEU A 140 16.442 -0.061 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.983 -1.872 9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 140 15.163 -0.132 10.034 1.00 0.00 H new ATOM 0 HG LEU A 140 13.322 0.015 8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.783 -1.897 8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.391 -2.287 7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 140 12.925 -2.871 9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.540 -0.201 9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 140 12.664 -1.063 11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.971 0.637 10.579 1.00 0.00 H new ATOM 116 N PHE A 141 17.271 -2.570 7.068 1.00 0.00 N ATOM 117 CA PHE A 141 18.210 -3.674 6.966 1.00 0.00 C ATOM 118 C PHE A 141 19.340 -3.344 5.988 1.00 0.00 C ATOM 119 O PHE A 141 20.382 -3.996 5.997 1.00 0.00 O ATOM 120 CB PHE A 141 17.429 -4.879 6.438 1.00 0.00 C ATOM 121 CG PHE A 141 17.436 -6.085 7.378 1.00 0.00 C ATOM 122 CD1 PHE A 141 16.494 -6.193 8.354 1.00 0.00 C ATOM 123 CD2 PHE A 141 18.384 -7.050 7.239 1.00 0.00 C ATOM 124 CE1 PHE A 141 16.500 -7.313 9.226 1.00 0.00 C ATOM 125 CE2 PHE A 141 18.389 -8.171 8.113 1.00 0.00 C ATOM 126 CZ PHE A 141 17.448 -8.278 9.087 1.00 0.00 C ATOM 0 H PHE A 141 16.985 -2.169 6.174 1.00 0.00 H new ATOM 0 HA PHE A 141 18.656 -3.874 7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.397 -4.579 6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.848 -5.178 5.477 1.00 0.00 H new ATOM 0 HD1 PHE A 141 15.742 -5.426 8.465 1.00 0.00 H new ATOM 0 HD2 PHE A 141 19.133 -6.965 6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 141 15.752 -7.399 10.000 1.00 0.00 H new ATOM 0 HE2 PHE A 141 19.141 -8.938 8.003 1.00 0.00 H new ATOM 0 HZ PHE A 141 17.453 -9.130 9.751 1.00 0.00 H new ATOM 136 N ASP A 142 19.094 -2.332 5.170 1.00 0.00 N ATOM 137 CA ASP A 142 20.077 -1.906 4.189 1.00 0.00 C ATOM 138 C ASP A 142 20.488 -3.107 3.332 1.00 0.00 C ATOM 139 O ASP A 142 20.353 -4.253 3.758 1.00 0.00 O ATOM 140 CB ASP A 142 21.334 -1.360 4.868 1.00 0.00 C ATOM 141 CG ASP A 142 22.586 -1.332 3.988 1.00 0.00 C ATOM 142 OD1 ASP A 142 23.239 -2.394 3.897 1.00 0.00 O ATOM 143 OD2 ASP A 142 22.861 -0.249 3.428 1.00 0.00 O ATOM 0 H ASP A 142 18.227 -1.794 5.166 1.00 0.00 H new ATOM 0 HA ASP A 142 19.627 -1.122 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.130 -0.347 5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 142 21.543 -1.964 5.751 1.00 0.00 H new ATOM 148 N PHE A 143 20.980 -2.802 2.141 1.00 0.00 N ATOM 149 CA PHE A 143 21.411 -3.841 1.221 1.00 0.00 C ATOM 150 C PHE A 143 22.290 -3.261 0.111 1.00 0.00 C ATOM 151 O PHE A 143 23.500 -3.119 0.283 1.00 0.00 O ATOM 152 CB PHE A 143 20.148 -4.437 0.596 1.00 0.00 C ATOM 153 CG PHE A 143 20.421 -5.403 -0.559 1.00 0.00 C ATOM 154 CD1 PHE A 143 21.673 -5.900 -0.748 1.00 0.00 C ATOM 155 CD2 PHE A 143 19.412 -5.765 -1.397 1.00 0.00 C ATOM 156 CE1 PHE A 143 21.926 -6.796 -1.819 1.00 0.00 C ATOM 157 CE2 PHE A 143 19.665 -6.661 -2.468 1.00 0.00 C ATOM 158 CZ PHE A 143 20.917 -7.158 -2.657 1.00 0.00 C ATOM 0 H PHE A 143 21.090 -1.850 1.791 1.00 0.00 H new ATOM 0 HA PHE A 143 21.994 -4.591 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 143 19.585 -4.961 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.516 -3.626 0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 143 22.474 -5.613 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 143 18.418 -5.370 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 143 22.920 -7.191 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 143 18.864 -6.948 -3.133 1.00 0.00 H new ATOM 0 HZ PHE A 143 21.110 -7.840 -3.472 1.00 0.00 H new ATOM 245 N ASP A 150 17.243 -4.025 -9.306 1.00 0.00 N ATOM 246 CA ASP A 150 17.229 -3.991 -7.853 1.00 0.00 C ATOM 247 C ASP A 150 17.476 -2.558 -7.378 1.00 0.00 C ATOM 248 O ASP A 150 18.271 -1.831 -7.971 1.00 0.00 O ATOM 249 CB ASP A 150 18.332 -4.879 -7.272 1.00 0.00 C ATOM 250 CG ASP A 150 18.051 -6.381 -7.330 1.00 0.00 C ATOM 251 OD1 ASP A 150 17.955 -6.897 -8.465 1.00 0.00 O ATOM 252 OD2 ASP A 150 17.939 -6.981 -6.239 1.00 0.00 O ATOM 0 HA ASP A 150 16.258 -4.354 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 150 19.260 -4.677 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 150 18.496 -4.595 -6.232 1.00 0.00 H new ATOM 257 N LEU A 151 16.780 -2.195 -6.310 1.00 0.00 N ATOM 258 CA LEU A 151 16.914 -0.862 -5.748 1.00 0.00 C ATOM 259 C LEU A 151 17.730 -0.937 -4.456 1.00 0.00 C ATOM 260 O LEU A 151 17.324 -1.596 -3.499 1.00 0.00 O ATOM 261 CB LEU A 151 15.538 -0.216 -5.570 1.00 0.00 C ATOM 262 CG LEU A 151 15.359 0.647 -4.319 1.00 0.00 C ATOM 263 CD1 LEU A 151 16.308 1.848 -4.341 1.00 0.00 C ATOM 264 CD2 LEU A 151 13.900 1.074 -4.151 1.00 0.00 C ATOM 0 H LEU A 151 16.122 -2.801 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 151 17.460 -0.213 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 151 15.332 0.400 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 151 14.787 -1.006 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 151 15.621 0.045 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 151 16.160 2.445 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 151 17.339 1.496 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 151 16.101 2.459 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 151 13.801 1.686 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 151 13.587 1.651 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.270 0.189 -4.058 1.00 0.00 H new ATOM 276 N PRO A 152 18.894 -0.235 -4.470 1.00 0.00 N ATOM 277 CA PRO A 152 19.771 -0.216 -3.312 1.00 0.00 C ATOM 278 C PRO A 152 19.204 0.681 -2.210 1.00 0.00 C ATOM 279 O PRO A 152 18.832 1.824 -2.466 1.00 0.00 O ATOM 280 CB PRO A 152 21.112 0.267 -3.840 1.00 0.00 C ATOM 281 CG PRO A 152 20.816 0.942 -5.170 1.00 0.00 C ATOM 282 CD PRO A 152 19.405 0.556 -5.585 1.00 0.00 C ATOM 0 HA PRO A 152 19.872 -1.196 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 152 21.578 0.964 -3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 152 21.804 -0.565 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 152 20.904 2.024 -5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 152 21.536 0.628 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 152 18.789 1.438 -5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 152 19.408 -0.020 -6.510 1.00 0.00 H new ATOM 290 N PHE A 153 19.156 0.127 -1.006 1.00 0.00 N ATOM 291 CA PHE A 153 18.641 0.864 0.136 1.00 0.00 C ATOM 292 C PHE A 153 19.556 0.701 1.351 1.00 0.00 C ATOM 293 O PHE A 153 20.534 -0.043 1.300 1.00 0.00 O ATOM 294 CB PHE A 153 17.268 0.274 0.464 1.00 0.00 C ATOM 295 CG PHE A 153 17.277 -1.240 0.685 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.515 -1.744 1.925 1.00 0.00 C ATOM 297 CD2 PHE A 153 17.045 -2.081 -0.359 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.524 -3.150 2.130 1.00 0.00 C ATOM 299 CE2 PHE A 153 17.054 -3.486 -0.153 1.00 0.00 C ATOM 300 CZ PHE A 153 17.293 -3.991 1.087 1.00 0.00 C ATOM 0 H PHE A 153 19.465 -0.822 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 153 18.582 1.926 -0.101 1.00 0.00 H new ATOM 0 HB2 PHE A 153 16.880 0.759 1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 153 16.580 0.508 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 153 17.697 -1.076 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 153 16.854 -1.680 -1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 153 17.714 -3.551 3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 153 16.871 -4.154 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 153 17.299 -5.060 1.243 1.00 0.00 H new ATOM 310 N LYS A 154 19.206 1.410 2.414 1.00 0.00 N ATOM 311 CA LYS A 154 19.984 1.354 3.640 1.00 0.00 C ATOM 312 C LYS A 154 19.050 1.077 4.819 1.00 0.00 C ATOM 313 O LYS A 154 17.849 0.882 4.634 1.00 0.00 O ATOM 314 CB LYS A 154 20.820 2.624 3.802 1.00 0.00 C ATOM 315 CG LYS A 154 21.869 2.736 2.695 1.00 0.00 C ATOM 316 CD LYS A 154 23.281 2.559 3.257 1.00 0.00 C ATOM 317 CE LYS A 154 24.133 3.804 3.004 1.00 0.00 C ATOM 318 NZ LYS A 154 23.969 4.778 4.105 1.00 0.00 N ATOM 0 H LYS A 154 18.394 2.026 2.452 1.00 0.00 H new ATOM 0 HA LYS A 154 20.700 0.533 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 154 20.168 3.498 3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 154 21.312 2.618 4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 154 21.680 1.980 1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 154 21.787 3.708 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 154 23.228 2.362 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 154 23.753 1.691 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 154 25.182 3.522 2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 154 23.844 4.263 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 24.554 5.617 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 22.970 5.061 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 24.267 4.342 5.001 1.00 0.00 H new ATOM 332 N LYS A 155 19.636 1.068 6.008 1.00 0.00 N ATOM 333 CA LYS A 155 18.870 0.818 7.218 1.00 0.00 C ATOM 334 C LYS A 155 18.195 2.116 7.666 1.00 0.00 C ATOM 335 O LYS A 155 18.709 2.821 8.533 1.00 0.00 O ATOM 336 CB LYS A 155 19.758 0.185 8.291 1.00 0.00 C ATOM 337 CG LYS A 155 18.975 -0.042 9.586 1.00 0.00 C ATOM 338 CD LYS A 155 19.162 1.128 10.552 1.00 0.00 C ATOM 339 CE LYS A 155 17.823 1.797 10.869 1.00 0.00 C ATOM 340 NZ LYS A 155 18.037 3.061 11.608 1.00 0.00 N ATOM 0 H LYS A 155 20.632 1.230 6.159 1.00 0.00 H new ATOM 0 HA LYS A 155 18.077 0.096 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 155 20.152 -0.765 7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.614 0.831 8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 155 17.916 -0.164 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 155 19.308 -0.966 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.622 0.773 11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 155 19.843 1.859 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 155 17.282 1.997 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 155 17.204 1.123 11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 17.118 3.502 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 18.534 2.862 12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 18.609 3.709 11.030 1.00 0.00 H new ATOM 354 N GLY A 156 17.053 2.393 7.054 1.00 0.00 N ATOM 355 CA GLY A 156 16.302 3.594 7.379 1.00 0.00 C ATOM 356 C GLY A 156 16.062 4.445 6.131 1.00 0.00 C ATOM 357 O GLY A 156 15.956 5.668 6.220 1.00 0.00 O ATOM 0 H GLY A 156 16.629 1.807 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 156 15.346 3.320 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 156 16.846 4.177 8.122 1.00 0.00 H new ATOM 361 N ASP A 157 15.986 3.767 4.996 1.00 0.00 N ATOM 362 CA ASP A 157 15.762 4.446 3.730 1.00 0.00 C ATOM 363 C ASP A 157 14.287 4.322 3.344 1.00 0.00 C ATOM 364 O ASP A 157 13.729 3.225 3.354 1.00 0.00 O ATOM 365 CB ASP A 157 16.598 3.819 2.613 1.00 0.00 C ATOM 366 CG ASP A 157 15.950 3.848 1.227 1.00 0.00 C ATOM 367 OD1 ASP A 157 15.800 4.969 0.694 1.00 0.00 O ATOM 368 OD2 ASP A 157 15.620 2.749 0.731 1.00 0.00 O ATOM 0 H ASP A 157 16.076 2.753 4.926 1.00 0.00 H new ATOM 0 HA ASP A 157 16.049 5.490 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 157 17.555 4.338 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 157 16.811 2.783 2.877 1.00 0.00 H new ATOM 373 N ILE A 158 13.697 5.460 3.014 1.00 0.00 N ATOM 374 CA ILE A 158 12.297 5.493 2.624 1.00 0.00 C ATOM 375 C ILE A 158 12.197 5.534 1.099 1.00 0.00 C ATOM 376 O ILE A 158 12.712 6.453 0.464 1.00 0.00 O ATOM 377 CB ILE A 158 11.574 6.648 3.320 1.00 0.00 C ATOM 378 CG1 ILE A 158 10.724 6.139 4.485 1.00 0.00 C ATOM 379 CG2 ILE A 158 10.749 7.460 2.320 1.00 0.00 C ATOM 380 CD1 ILE A 158 9.812 4.994 4.042 1.00 0.00 C ATOM 0 H ILE A 158 14.162 6.368 3.008 1.00 0.00 H new ATOM 0 HA ILE A 158 11.789 4.586 2.952 1.00 0.00 H new ATOM 0 HB ILE A 158 12.324 7.319 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 158 11.373 5.799 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 158 10.121 6.955 4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 158 10.245 8.275 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 158 11.407 7.871 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 158 10.006 6.814 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 158 9.219 4.652 4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 158 9.147 5.343 3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 158 10.419 4.170 3.667 1.00 0.00 H new ATOM 392 N LEU A 159 11.530 4.527 0.553 1.00 0.00 N ATOM 393 CA LEU A 159 11.356 4.438 -0.887 1.00 0.00 C ATOM 394 C LEU A 159 9.864 4.496 -1.221 1.00 0.00 C ATOM 395 O LEU A 159 9.036 4.726 -0.340 1.00 0.00 O ATOM 396 CB LEU A 159 12.061 3.196 -1.435 1.00 0.00 C ATOM 397 CG LEU A 159 13.398 2.839 -0.784 1.00 0.00 C ATOM 398 CD1 LEU A 159 13.387 1.404 -0.256 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.560 3.087 -1.747 1.00 0.00 C ATOM 0 H LEU A 159 11.104 3.766 1.082 1.00 0.00 H new ATOM 0 HA LEU A 159 11.826 5.288 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.389 2.345 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.227 3.339 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 159 13.545 3.495 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 159 14.350 1.177 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 159 12.597 1.296 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 159 13.206 0.714 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 159 15.499 2.825 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 159 14.431 2.474 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.579 4.139 -2.030 1.00 0.00 H new ATOM 411 N ARG A 160 9.567 4.285 -2.494 1.00 0.00 N ATOM 412 CA ARG A 160 8.188 4.311 -2.955 1.00 0.00 C ATOM 413 C ARG A 160 7.877 3.054 -3.768 1.00 0.00 C ATOM 414 O ARG A 160 8.718 2.577 -4.528 1.00 0.00 O ATOM 415 CB ARG A 160 7.919 5.547 -3.817 1.00 0.00 C ATOM 416 CG ARG A 160 7.831 6.808 -2.954 1.00 0.00 C ATOM 417 CD ARG A 160 8.909 7.819 -3.350 1.00 0.00 C ATOM 418 NE ARG A 160 9.108 8.799 -2.259 1.00 0.00 N ATOM 419 CZ ARG A 160 9.928 8.606 -1.216 1.00 0.00 C ATOM 420 NH1 ARG A 160 10.629 7.469 -1.117 1.00 0.00 N ATOM 421 NH2 ARG A 160 10.045 9.550 -0.273 1.00 0.00 N ATOM 0 H ARG A 160 10.257 4.095 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 160 7.545 4.348 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 160 8.714 5.661 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 160 6.989 5.414 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.845 7.260 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 160 7.945 6.543 -1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 160 9.845 7.302 -3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 160 8.617 8.335 -4.265 1.00 0.00 H new ATOM 0 HE ARG A 160 8.589 9.676 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 160 10.539 6.750 -1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 160 11.253 7.322 -0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 160 9.510 10.415 -0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 160 10.669 9.403 0.521 1.00 0.00 H new ATOM 435 N ILE A 161 6.665 2.551 -3.580 1.00 0.00 N ATOM 436 CA ILE A 161 6.232 1.357 -4.286 1.00 0.00 C ATOM 437 C ILE A 161 5.622 1.759 -5.631 1.00 0.00 C ATOM 438 O ILE A 161 4.598 2.439 -5.673 1.00 0.00 O ATOM 439 CB ILE A 161 5.294 0.526 -3.408 1.00 0.00 C ATOM 440 CG1 ILE A 161 6.072 -0.527 -2.617 1.00 0.00 C ATOM 441 CG2 ILE A 161 4.172 -0.096 -4.242 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.291 0.093 -1.932 1.00 0.00 C ATOM 0 H ILE A 161 5.970 2.949 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 161 7.083 0.711 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 161 4.826 1.191 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.421 -0.980 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 161 6.393 -1.326 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.519 -0.682 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.594 0.694 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.602 -0.744 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 161 7.827 -0.677 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 161 7.952 0.523 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 161 6.965 0.875 -1.246 1.00 0.00 H new ATOM 454 N ARG A 162 6.277 1.321 -6.696 1.00 0.00 N ATOM 455 CA ARG A 162 5.812 1.626 -8.038 1.00 0.00 C ATOM 456 C ARG A 162 5.075 0.424 -8.630 1.00 0.00 C ATOM 457 O ARG A 162 3.973 0.565 -9.158 1.00 0.00 O ATOM 458 CB ARG A 162 6.980 2.002 -8.953 1.00 0.00 C ATOM 459 CG ARG A 162 6.503 2.208 -10.392 1.00 0.00 C ATOM 460 CD ARG A 162 6.562 3.685 -10.784 1.00 0.00 C ATOM 461 NE ARG A 162 5.205 4.180 -11.103 1.00 0.00 N ATOM 462 CZ ARG A 162 4.955 5.241 -11.881 1.00 0.00 C ATOM 463 NH1 ARG A 162 5.970 5.927 -12.425 1.00 0.00 N ATOM 464 NH2 ARG A 162 3.691 5.617 -12.117 1.00 0.00 N ATOM 0 H ARG A 162 7.126 0.757 -6.657 1.00 0.00 H new ATOM 0 HA ARG A 162 5.132 2.475 -7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.453 2.914 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.736 1.217 -8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 162 7.123 1.623 -11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 162 5.482 1.841 -10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 162 6.988 4.269 -9.968 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.217 3.815 -11.646 1.00 0.00 H new ATOM 0 HE ARG A 162 4.409 3.681 -10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 162 6.933 5.641 -12.246 1.00 0.00 H new ATOM 0 HH12 ARG A 162 5.780 6.735 -13.018 1.00 0.00 H new ATOM 0 HH21 ARG A 162 2.918 5.095 -11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 162 3.502 6.425 -12.710 1.00 0.00 H new ATOM 478 N ASP A 163 5.713 -0.733 -8.523 1.00 0.00 N ATOM 479 CA ASP A 163 5.131 -1.959 -9.042 1.00 0.00 C ATOM 480 C ASP A 163 5.591 -3.139 -8.184 1.00 0.00 C ATOM 481 O ASP A 163 6.536 -3.014 -7.406 1.00 0.00 O ATOM 482 CB ASP A 163 5.581 -2.216 -10.481 1.00 0.00 C ATOM 483 CG ASP A 163 4.609 -3.044 -11.324 1.00 0.00 C ATOM 484 OD1 ASP A 163 3.485 -2.544 -11.549 1.00 0.00 O ATOM 485 OD2 ASP A 163 5.012 -4.156 -11.726 1.00 0.00 O ATOM 0 H ASP A 163 6.627 -0.847 -8.085 1.00 0.00 H new ATOM 0 HA ASP A 163 4.046 -1.855 -9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 163 5.739 -1.256 -10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 163 6.544 -2.725 -10.459 1.00 0.00 H new ATOM 490 N LYS A 164 4.904 -4.259 -8.356 1.00 0.00 N ATOM 491 CA LYS A 164 5.231 -5.460 -7.607 1.00 0.00 C ATOM 492 C LYS A 164 5.154 -6.672 -8.538 1.00 0.00 C ATOM 493 O LYS A 164 4.079 -7.233 -8.746 1.00 0.00 O ATOM 494 CB LYS A 164 4.340 -5.578 -6.369 1.00 0.00 C ATOM 495 CG LYS A 164 4.518 -4.370 -5.448 1.00 0.00 C ATOM 496 CD LYS A 164 3.327 -4.224 -4.498 1.00 0.00 C ATOM 497 CE LYS A 164 3.754 -3.582 -3.176 1.00 0.00 C ATOM 498 NZ LYS A 164 2.622 -2.851 -2.565 1.00 0.00 N ATOM 0 H LYS A 164 4.122 -4.360 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 164 6.253 -5.409 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 164 3.296 -5.657 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 164 4.584 -6.492 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 164 5.436 -4.480 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 164 4.624 -3.465 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 164 2.555 -3.616 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 164 2.889 -5.203 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 164 4.111 -4.351 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 164 4.585 -2.898 -3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 2.982 -2.195 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 2.118 -2.314 -3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 1.969 -3.529 -2.123 1.00 0.00 H new ATOM 512 N PRO A 165 6.339 -7.051 -9.086 1.00 0.00 N ATOM 513 CA PRO A 165 6.417 -8.186 -9.990 1.00 0.00 C ATOM 514 C PRO A 165 6.311 -9.506 -9.223 1.00 0.00 C ATOM 515 O PRO A 165 5.833 -10.503 -9.760 1.00 0.00 O ATOM 516 CB PRO A 165 7.744 -8.024 -10.712 1.00 0.00 C ATOM 517 CG PRO A 165 8.568 -7.071 -9.862 1.00 0.00 C ATOM 518 CD PRO A 165 7.633 -6.411 -8.862 1.00 0.00 C ATOM 0 HA PRO A 165 5.592 -8.214 -10.702 1.00 0.00 H new ATOM 0 HB2 PRO A 165 8.248 -8.984 -10.822 1.00 0.00 H new ATOM 0 HB3 PRO A 165 7.596 -7.624 -11.715 1.00 0.00 H new ATOM 0 HG2 PRO A 165 9.361 -7.610 -9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 165 9.049 -6.320 -10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.977 -6.561 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 165 7.576 -5.335 -9.024 1.00 0.00 H new ATOM 526 N GLU A 166 6.765 -9.469 -7.979 1.00 0.00 N ATOM 527 CA GLU A 166 6.727 -10.648 -7.132 1.00 0.00 C ATOM 528 C GLU A 166 6.059 -10.322 -5.795 1.00 0.00 C ATOM 529 O GLU A 166 5.502 -9.238 -5.624 1.00 0.00 O ATOM 530 CB GLU A 166 8.132 -11.217 -6.920 1.00 0.00 C ATOM 531 CG GLU A 166 8.876 -11.350 -8.250 1.00 0.00 C ATOM 532 CD GLU A 166 8.739 -12.765 -8.815 1.00 0.00 C ATOM 533 OE1 GLU A 166 9.244 -13.694 -8.148 1.00 0.00 O ATOM 534 OE2 GLU A 166 8.132 -12.887 -9.901 1.00 0.00 O ATOM 0 H GLU A 166 7.162 -8.640 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 166 6.133 -11.412 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.694 -10.568 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 166 8.064 -12.192 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 166 8.481 -10.629 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 166 9.930 -11.112 -8.107 1.00 0.00 H new ATOM 541 N GLU A 167 6.138 -11.278 -4.881 1.00 0.00 N ATOM 542 CA GLU A 167 5.548 -11.105 -3.564 1.00 0.00 C ATOM 543 C GLU A 167 6.644 -10.959 -2.508 1.00 0.00 C ATOM 544 O GLU A 167 6.434 -10.326 -1.474 1.00 0.00 O ATOM 545 CB GLU A 167 4.612 -12.268 -3.227 1.00 0.00 C ATOM 546 CG GLU A 167 3.266 -12.112 -3.936 1.00 0.00 C ATOM 547 CD GLU A 167 2.745 -13.465 -4.427 1.00 0.00 C ATOM 548 OE1 GLU A 167 2.288 -14.243 -3.561 1.00 0.00 O ATOM 549 OE2 GLU A 167 2.814 -13.689 -5.654 1.00 0.00 O ATOM 0 H GLU A 167 6.602 -12.175 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 167 4.952 -10.192 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 167 5.075 -13.209 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 167 4.456 -12.313 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 167 2.542 -11.665 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 167 3.372 -11.431 -4.780 1.00 0.00 H new ATOM 556 N GLN A 168 7.791 -11.554 -2.803 1.00 0.00 N ATOM 557 CA GLN A 168 8.920 -11.498 -1.891 1.00 0.00 C ATOM 558 C GLN A 168 9.663 -10.169 -2.046 1.00 0.00 C ATOM 559 O GLN A 168 10.154 -9.610 -1.068 1.00 0.00 O ATOM 560 CB GLN A 168 9.863 -12.683 -2.112 1.00 0.00 C ATOM 561 CG GLN A 168 9.180 -14.002 -1.748 1.00 0.00 C ATOM 562 CD GLN A 168 10.214 -15.090 -1.449 1.00 0.00 C ATOM 563 OE1 GLN A 168 11.317 -14.827 -1.000 1.00 0.00 O ATOM 564 NE2 GLN A 168 9.796 -16.323 -1.723 1.00 0.00 N ATOM 0 H GLN A 168 7.962 -12.077 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 168 8.541 -11.563 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 168 10.181 -12.710 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 168 10.761 -12.555 -1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.539 -13.856 -0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.537 -14.322 -2.568 1.00 0.00 H new ATOM 0 HE21 GLN A 168 8.859 -16.472 -2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.412 -17.119 -1.558 1.00 0.00 H new ATOM 573 N TRP A 169 9.721 -9.702 -3.285 1.00 0.00 N ATOM 574 CA TRP A 169 10.395 -8.450 -3.582 1.00 0.00 C ATOM 575 C TRP A 169 9.398 -7.534 -4.294 1.00 0.00 C ATOM 576 O TRP A 169 8.575 -7.998 -5.081 1.00 0.00 O ATOM 577 CB TRP A 169 11.669 -8.692 -4.393 1.00 0.00 C ATOM 578 CG TRP A 169 12.796 -9.355 -3.599 1.00 0.00 C ATOM 579 CD1 TRP A 169 12.826 -10.593 -3.085 1.00 0.00 C ATOM 580 CD2 TRP A 169 14.063 -8.761 -3.247 1.00 0.00 C ATOM 581 NE1 TRP A 169 14.016 -10.839 -2.430 1.00 0.00 N ATOM 582 CE2 TRP A 169 14.793 -9.691 -2.532 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.579 -7.483 -3.524 1.00 0.00 C ATOM 584 CZ2 TRP A 169 16.076 -9.438 -2.033 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.863 -7.247 -3.019 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.609 -8.171 -2.297 1.00 0.00 C ATOM 0 H TRP A 169 9.312 -10.169 -4.095 1.00 0.00 H new ATOM 0 HA TRP A 169 10.723 -7.961 -2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.427 -9.318 -5.252 1.00 0.00 H new ATOM 0 HB3 TRP A 169 12.026 -7.739 -4.783 1.00 0.00 H new ATOM 0 HD1 TRP A 169 12.021 -11.307 -3.172 1.00 0.00 H new ATOM 0 HE1 TRP A 169 14.277 -11.705 -1.958 1.00 0.00 H new ATOM 0 HE3 TRP A 169 14.028 -6.741 -4.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 16.625 -10.181 -1.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 16.305 -6.279 -3.203 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.595 -7.913 -1.941 1.00 0.00 H new ATOM 597 N TRP A 170 9.505 -6.248 -3.992 1.00 0.00 N ATOM 598 CA TRP A 170 8.624 -5.262 -4.594 1.00 0.00 C ATOM 599 C TRP A 170 9.488 -4.261 -5.364 1.00 0.00 C ATOM 600 O TRP A 170 10.611 -3.965 -4.957 1.00 0.00 O ATOM 601 CB TRP A 170 7.739 -4.599 -3.535 1.00 0.00 C ATOM 602 CG TRP A 170 6.766 -5.558 -2.848 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.373 -6.771 -3.261 1.00 0.00 C ATOM 604 CD2 TRP A 170 6.076 -5.334 -1.601 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.482 -7.342 -2.375 1.00 0.00 N ATOM 606 CE2 TRP A 170 5.296 -6.440 -1.333 1.00 0.00 C ATOM 607 CE3 TRP A 170 6.108 -4.232 -0.727 1.00 0.00 C ATOM 608 CZ2 TRP A 170 4.491 -6.554 -0.193 1.00 0.00 C ATOM 609 CZ3 TRP A 170 5.298 -4.361 0.407 1.00 0.00 C ATOM 610 CH2 TRP A 170 4.507 -5.468 0.691 1.00 0.00 C ATOM 0 H TRP A 170 10.189 -5.866 -3.338 1.00 0.00 H new ATOM 0 HA TRP A 170 7.936 -5.736 -5.294 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.376 -4.141 -2.779 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.171 -3.795 -4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 170 6.711 -7.242 -4.172 1.00 0.00 H new ATOM 0 HE1 TRP A 170 5.041 -8.257 -2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.710 -3.356 -0.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.890 -7.432 -0.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 5.287 -3.542 1.111 1.00 0.00 H new ATOM 0 HH2 TRP A 170 3.908 -5.491 1.589 1.00 0.00 H new ATOM 621 N ASN A 171 8.932 -3.769 -6.461 1.00 0.00 N ATOM 622 CA ASN A 171 9.638 -2.807 -7.291 1.00 0.00 C ATOM 623 C ASN A 171 9.367 -1.394 -6.771 1.00 0.00 C ATOM 624 O ASN A 171 8.382 -0.767 -7.155 1.00 0.00 O ATOM 625 CB ASN A 171 9.160 -2.877 -8.742 1.00 0.00 C ATOM 626 CG ASN A 171 10.204 -2.288 -9.692 1.00 0.00 C ATOM 627 OD1 ASN A 171 11.026 -1.466 -9.320 1.00 0.00 O ATOM 628 ND2 ASN A 171 10.126 -2.752 -10.936 1.00 0.00 N ATOM 0 H ASN A 171 8.001 -4.018 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 171 10.701 -3.043 -7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 171 8.960 -3.914 -9.013 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.221 -2.334 -8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 171 10.779 -2.420 -11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 171 9.413 -3.440 -11.180 1.00 0.00 H new ATOM 635 N ALA A 172 10.259 -0.936 -5.904 1.00 0.00 N ATOM 636 CA ALA A 172 10.128 0.391 -5.327 1.00 0.00 C ATOM 637 C ALA A 172 11.118 1.338 -6.007 1.00 0.00 C ATOM 638 O ALA A 172 12.046 0.893 -6.681 1.00 0.00 O ATOM 639 CB ALA A 172 10.340 0.314 -3.814 1.00 0.00 C ATOM 0 H ALA A 172 11.075 -1.460 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 172 9.126 0.785 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 172 10.242 1.310 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.593 -0.348 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 172 11.337 -0.075 -3.606 1.00 0.00 H new ATOM 645 N GLU A 173 10.888 2.627 -5.807 1.00 0.00 N ATOM 646 CA GLU A 173 11.749 3.641 -6.393 1.00 0.00 C ATOM 647 C GLU A 173 12.526 4.374 -5.298 1.00 0.00 C ATOM 648 O GLU A 173 11.958 4.751 -4.274 1.00 0.00 O ATOM 649 CB GLU A 173 10.939 4.623 -7.242 1.00 0.00 C ATOM 650 CG GLU A 173 11.238 4.437 -8.731 1.00 0.00 C ATOM 651 CD GLU A 173 10.398 5.392 -9.582 1.00 0.00 C ATOM 652 OE1 GLU A 173 9.204 5.549 -9.248 1.00 0.00 O ATOM 653 OE2 GLU A 173 10.970 5.943 -10.547 1.00 0.00 O ATOM 0 H GLU A 173 10.118 2.993 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 173 12.465 3.147 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.875 4.475 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 173 11.174 5.645 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.297 4.614 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 173 11.031 3.407 -9.021 1.00 0.00 H new ATOM 660 N ASP A 174 13.815 4.554 -5.552 1.00 0.00 N ATOM 661 CA ASP A 174 14.676 5.235 -4.601 1.00 0.00 C ATOM 662 C ASP A 174 14.363 6.733 -4.616 1.00 0.00 C ATOM 663 O ASP A 174 13.816 7.246 -5.591 1.00 0.00 O ATOM 664 CB ASP A 174 16.151 5.057 -4.967 1.00 0.00 C ATOM 665 CG ASP A 174 17.086 4.805 -3.782 1.00 0.00 C ATOM 666 OD1 ASP A 174 16.700 3.988 -2.919 1.00 0.00 O ATOM 667 OD2 ASP A 174 18.165 5.435 -3.768 1.00 0.00 O ATOM 0 H ASP A 174 14.283 4.240 -6.402 1.00 0.00 H new ATOM 0 HA ASP A 174 14.494 4.806 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 174 16.239 4.223 -5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.489 5.949 -5.494 1.00 0.00 H new ATOM 672 N SER A 175 14.723 7.391 -3.525 1.00 0.00 N ATOM 673 CA SER A 175 14.486 8.820 -3.400 1.00 0.00 C ATOM 674 C SER A 175 14.992 9.544 -4.650 1.00 0.00 C ATOM 675 O SER A 175 14.552 10.653 -4.949 1.00 0.00 O ATOM 676 CB SER A 175 15.164 9.384 -2.150 1.00 0.00 C ATOM 677 OG SER A 175 16.537 9.690 -2.380 1.00 0.00 O ATOM 0 H SER A 175 15.177 6.962 -2.719 1.00 0.00 H new ATOM 0 HA SER A 175 13.413 8.982 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 175 14.641 10.285 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 175 15.085 8.662 -1.337 1.00 0.00 H new ATOM 0 HG SER A 175 16.934 10.049 -1.559 1.00 0.00 H new ATOM 683 N GLU A 176 15.908 8.887 -5.346 1.00 0.00 N ATOM 684 CA GLU A 176 16.477 9.454 -6.557 1.00 0.00 C ATOM 685 C GLU A 176 15.557 9.192 -7.750 1.00 0.00 C ATOM 686 O GLU A 176 15.519 9.980 -8.694 1.00 0.00 O ATOM 687 CB GLU A 176 17.880 8.901 -6.814 1.00 0.00 C ATOM 688 CG GLU A 176 18.759 9.031 -5.568 1.00 0.00 C ATOM 689 CD GLU A 176 19.938 8.058 -5.625 1.00 0.00 C ATOM 690 OE1 GLU A 176 20.682 8.125 -6.627 1.00 0.00 O ATOM 691 OE2 GLU A 176 20.069 7.270 -4.664 1.00 0.00 O ATOM 0 H GLU A 176 16.270 7.967 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 176 16.566 10.532 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.813 7.854 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.339 9.437 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 176 19.130 10.053 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 176 18.164 8.835 -4.676 1.00 0.00 H new ATOM 698 N GLY A 177 14.837 8.083 -7.669 1.00 0.00 N ATOM 699 CA GLY A 177 13.919 7.707 -8.730 1.00 0.00 C ATOM 700 C GLY A 177 14.405 6.451 -9.457 1.00 0.00 C ATOM 701 O GLY A 177 14.156 6.284 -10.650 1.00 0.00 O ATOM 0 H GLY A 177 14.871 7.432 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 177 12.928 7.529 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 177 13.823 8.528 -9.440 1.00 0.00 H new ATOM 705 N LYS A 178 15.090 5.600 -8.706 1.00 0.00 N ATOM 706 CA LYS A 178 15.613 4.365 -9.265 1.00 0.00 C ATOM 707 C LYS A 178 14.592 3.244 -9.057 1.00 0.00 C ATOM 708 O LYS A 178 14.281 2.886 -7.922 1.00 0.00 O ATOM 709 CB LYS A 178 16.993 4.056 -8.680 1.00 0.00 C ATOM 710 CG LYS A 178 18.020 5.102 -9.116 1.00 0.00 C ATOM 711 CD LYS A 178 19.136 4.462 -9.944 1.00 0.00 C ATOM 712 CE LYS A 178 19.459 5.308 -11.177 1.00 0.00 C ATOM 713 NZ LYS A 178 20.850 5.807 -11.114 1.00 0.00 N ATOM 0 H LYS A 178 15.294 5.741 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 178 15.762 4.465 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 178 16.933 4.031 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.316 3.067 -9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 178 17.528 5.879 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 178 18.446 5.587 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 178 20.030 4.351 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 178 18.835 3.461 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 178 19.321 4.713 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 178 18.768 6.148 -11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 21.052 6.379 -11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 20.971 6.392 -10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 21.506 5.001 -11.076 1.00 0.00 H new ATOM 727 N ARG A 179 14.100 2.721 -10.170 1.00 0.00 N ATOM 728 CA ARG A 179 13.121 1.649 -10.125 1.00 0.00 C ATOM 729 C ARG A 179 13.823 0.293 -10.030 1.00 0.00 C ATOM 730 O ARG A 179 14.435 -0.162 -10.996 1.00 0.00 O ATOM 731 CB ARG A 179 12.226 1.666 -11.366 1.00 0.00 C ATOM 732 CG ARG A 179 11.885 3.101 -11.776 1.00 0.00 C ATOM 733 CD ARG A 179 11.002 3.119 -13.025 1.00 0.00 C ATOM 734 NE ARG A 179 9.901 2.141 -12.880 1.00 0.00 N ATOM 735 CZ ARG A 179 9.981 0.858 -13.257 1.00 0.00 C ATOM 736 NH1 ARG A 179 11.111 0.389 -13.802 1.00 0.00 N ATOM 737 NH2 ARG A 179 8.931 0.043 -13.086 1.00 0.00 N ATOM 0 H ARG A 179 14.361 3.020 -11.109 1.00 0.00 H new ATOM 0 HA ARG A 179 12.501 1.804 -9.242 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.729 1.159 -12.189 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.308 1.114 -11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 179 11.372 3.605 -10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.803 3.656 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.594 4.118 -13.178 1.00 0.00 H new ATOM 0 HD3 ARG A 179 11.598 2.880 -13.906 1.00 0.00 H new ATOM 0 HE ARG A 179 9.026 2.464 -12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 179 11.911 1.009 -13.930 1.00 0.00 H new ATOM 0 HH12 ARG A 179 11.172 -0.588 -14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 179 8.071 0.400 -12.669 1.00 0.00 H new ATOM 0 HH22 ARG A 179 8.992 -0.934 -13.373 1.00 0.00 H new ATOM 751 N GLY A 180 13.712 -0.315 -8.858 1.00 0.00 N ATOM 752 CA GLY A 180 14.328 -1.610 -8.625 1.00 0.00 C ATOM 753 C GLY A 180 13.545 -2.410 -7.582 1.00 0.00 C ATOM 754 O GLY A 180 12.751 -1.847 -6.831 1.00 0.00 O ATOM 0 H GLY A 180 13.204 0.066 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.372 -2.169 -9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.355 -1.473 -8.287 1.00 0.00 H new ATOM 758 N MET A 181 13.797 -3.710 -7.569 1.00 0.00 N ATOM 759 CA MET A 181 13.126 -4.594 -6.631 1.00 0.00 C ATOM 760 C MET A 181 13.888 -4.669 -5.308 1.00 0.00 C ATOM 761 O MET A 181 15.115 -4.763 -5.298 1.00 0.00 O ATOM 762 CB MET A 181 13.015 -5.994 -7.238 1.00 0.00 C ATOM 763 CG MET A 181 11.732 -6.136 -8.060 1.00 0.00 C ATOM 764 SD MET A 181 12.095 -6.903 -9.630 1.00 0.00 S ATOM 765 CE MET A 181 12.442 -8.568 -9.089 1.00 0.00 C ATOM 0 H MET A 181 14.457 -4.173 -8.194 1.00 0.00 H new ATOM 0 HA MET A 181 12.131 -4.195 -6.433 1.00 0.00 H new ATOM 0 HB2 MET A 181 13.880 -6.189 -7.871 1.00 0.00 H new ATOM 0 HB3 MET A 181 13.027 -6.740 -6.444 1.00 0.00 H new ATOM 0 HG2 MET A 181 11.004 -6.735 -7.513 1.00 0.00 H new ATOM 0 HG3 MET A 181 11.282 -5.156 -8.220 1.00 0.00 H new ATOM 0 HE1 MET A 181 12.603 -9.207 -9.958 1.00 0.00 H new ATOM 0 HE2 MET A 181 13.337 -8.569 -8.467 1.00 0.00 H new ATOM 0 HE3 MET A 181 11.598 -8.946 -8.511 1.00 0.00 H new ATOM 775 N ILE A 182 13.131 -4.627 -4.221 1.00 0.00 N ATOM 776 CA ILE A 182 13.720 -4.689 -2.895 1.00 0.00 C ATOM 777 C ILE A 182 12.944 -5.696 -2.043 1.00 0.00 C ATOM 778 O ILE A 182 11.872 -6.152 -2.438 1.00 0.00 O ATOM 779 CB ILE A 182 13.797 -3.292 -2.276 1.00 0.00 C ATOM 780 CG1 ILE A 182 12.429 -2.847 -1.755 1.00 0.00 C ATOM 781 CG2 ILE A 182 14.389 -2.286 -3.266 1.00 0.00 C ATOM 782 CD1 ILE A 182 12.551 -1.577 -0.909 1.00 0.00 C ATOM 0 H ILE A 182 12.114 -4.551 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 182 14.749 -5.044 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 182 14.469 -3.334 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 182 11.757 -2.666 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 182 11.986 -3.645 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 182 14.433 -1.301 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 182 15.394 -2.600 -3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 182 13.762 -2.240 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 182 11.565 -1.282 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 182 13.204 -1.768 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 182 12.972 -0.775 -1.515 1.00 0.00 H new ATOM 794 N PRO A 183 13.531 -6.022 -0.861 1.00 0.00 N ATOM 795 CA PRO A 183 12.906 -6.967 0.049 1.00 0.00 C ATOM 796 C PRO A 183 11.721 -6.327 0.774 1.00 0.00 C ATOM 797 O PRO A 183 11.775 -5.157 1.148 1.00 0.00 O ATOM 798 CB PRO A 183 14.018 -7.397 0.993 1.00 0.00 C ATOM 799 CG PRO A 183 15.100 -6.338 0.873 1.00 0.00 C ATOM 800 CD PRO A 183 14.800 -5.502 -0.360 1.00 0.00 C ATOM 0 HA PRO A 183 12.482 -7.829 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.654 -7.469 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.402 -8.380 0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 183 15.120 -5.710 1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 183 16.082 -6.804 0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.724 -4.443 -0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.589 -5.598 -1.105 1.00 0.00 H new ATOM 808 N VAL A 184 10.678 -7.125 0.952 1.00 0.00 N ATOM 809 CA VAL A 184 9.480 -6.650 1.625 1.00 0.00 C ATOM 810 C VAL A 184 9.716 -6.656 3.138 1.00 0.00 C ATOM 811 O VAL A 184 9.203 -5.796 3.852 1.00 0.00 O ATOM 812 CB VAL A 184 8.275 -7.494 1.205 1.00 0.00 C ATOM 813 CG1 VAL A 184 7.027 -7.103 2.001 1.00 0.00 C ATOM 814 CG2 VAL A 184 8.023 -7.379 -0.300 1.00 0.00 C ATOM 0 H VAL A 184 10.637 -8.096 0.642 1.00 0.00 H new ATOM 0 HA VAL A 184 9.258 -5.623 1.333 1.00 0.00 H new ATOM 0 HB VAL A 184 8.502 -8.536 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.185 -7.718 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.210 -7.260 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.797 -6.053 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 184 7.161 -7.988 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.827 -6.338 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.901 -7.728 -0.844 1.00 0.00 H new ATOM 824 N PRO A 185 10.511 -7.661 3.592 1.00 0.00 N ATOM 825 CA PRO A 185 10.820 -7.790 5.006 1.00 0.00 C ATOM 826 C PRO A 185 11.842 -6.737 5.441 1.00 0.00 C ATOM 827 O PRO A 185 11.510 -5.816 6.186 1.00 0.00 O ATOM 828 CB PRO A 185 11.327 -9.213 5.170 1.00 0.00 C ATOM 829 CG PRO A 185 11.722 -9.678 3.777 1.00 0.00 C ATOM 830 CD PRO A 185 11.134 -8.697 2.775 1.00 0.00 C ATOM 0 HA PRO A 185 9.954 -7.615 5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.178 -9.248 5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.555 -9.856 5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.807 -9.718 3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.348 -10.685 3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.907 -8.280 2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.404 -9.183 2.127 1.00 0.00 H new ATOM 838 N TYR A 186 13.063 -6.910 4.958 1.00 0.00 N ATOM 839 CA TYR A 186 14.136 -5.986 5.289 1.00 0.00 C ATOM 840 C TYR A 186 13.594 -4.571 5.503 1.00 0.00 C ATOM 841 O TYR A 186 14.089 -3.835 6.356 1.00 0.00 O ATOM 842 CB TYR A 186 15.075 -5.982 4.082 1.00 0.00 C ATOM 843 CG TYR A 186 16.317 -6.860 4.257 1.00 0.00 C ATOM 844 CD1 TYR A 186 16.227 -8.050 4.950 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.524 -6.462 3.722 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.395 -8.877 5.115 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.692 -7.289 3.886 1.00 0.00 C ATOM 848 CZ TYR A 186 18.570 -8.455 4.574 1.00 0.00 C ATOM 849 OH TYR A 186 19.673 -9.236 4.730 1.00 0.00 O ATOM 0 H TYR A 186 13.334 -7.675 4.340 1.00 0.00 H new ATOM 0 HA TYR A 186 14.637 -6.292 6.208 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.524 -6.321 3.205 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.391 -4.958 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 186 15.281 -8.361 5.368 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.594 -5.530 3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 186 17.339 -9.810 5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.643 -6.989 3.472 1.00 0.00 H new ATOM 0 HH TYR A 186 20.439 -8.811 4.292 1.00 0.00 H new ATOM 859 N VAL A 187 12.584 -4.232 4.714 1.00 0.00 N ATOM 860 CA VAL A 187 11.971 -2.919 4.806 1.00 0.00 C ATOM 861 C VAL A 187 10.517 -3.071 5.257 1.00 0.00 C ATOM 862 O VAL A 187 10.004 -4.185 5.344 1.00 0.00 O ATOM 863 CB VAL A 187 12.109 -2.181 3.473 1.00 0.00 C ATOM 864 CG1 VAL A 187 13.378 -2.616 2.736 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.870 -2.388 2.601 1.00 0.00 C ATOM 0 H VAL A 187 12.176 -4.845 4.008 1.00 0.00 H new ATOM 0 HA VAL A 187 12.482 -2.311 5.552 1.00 0.00 H new ATOM 0 HB VAL A 187 12.193 -1.115 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 187 13.453 -2.077 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 187 14.250 -2.394 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.336 -3.687 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.994 -1.853 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.740 -3.451 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.991 -2.007 3.121 1.00 0.00 H new ATOM 875 N GLU A 188 9.894 -1.934 5.532 1.00 0.00 N ATOM 876 CA GLU A 188 8.509 -1.927 5.971 1.00 0.00 C ATOM 877 C GLU A 188 7.662 -1.054 5.043 1.00 0.00 C ATOM 878 O GLU A 188 8.147 -0.580 4.017 1.00 0.00 O ATOM 879 CB GLU A 188 8.397 -1.454 7.422 1.00 0.00 C ATOM 880 CG GLU A 188 9.774 -1.119 7.998 1.00 0.00 C ATOM 881 CD GLU A 188 9.664 -0.662 9.454 1.00 0.00 C ATOM 882 OE1 GLU A 188 9.171 -1.473 10.268 1.00 0.00 O ATOM 883 OE2 GLU A 188 10.073 0.489 9.721 1.00 0.00 O ATOM 0 H GLU A 188 10.323 -1.012 5.459 1.00 0.00 H new ATOM 0 HA GLU A 188 8.128 -2.947 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 188 7.754 -0.575 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.925 -2.230 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 188 10.421 -1.994 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.241 -0.335 7.401 1.00 0.00 H new ATOM 890 N LYS A 189 6.411 -0.868 5.437 1.00 0.00 N ATOM 891 CA LYS A 189 5.492 -0.060 4.653 1.00 0.00 C ATOM 892 C LYS A 189 5.251 1.271 5.369 1.00 0.00 C ATOM 893 O LYS A 189 5.040 1.299 6.580 1.00 0.00 O ATOM 894 CB LYS A 189 4.210 -0.840 4.359 1.00 0.00 C ATOM 895 CG LYS A 189 4.438 -1.872 3.253 1.00 0.00 C ATOM 896 CD LYS A 189 4.078 -1.296 1.882 1.00 0.00 C ATOM 897 CE LYS A 189 2.739 -1.848 1.390 1.00 0.00 C ATOM 898 NZ LYS A 189 2.045 -0.848 0.547 1.00 0.00 N ATOM 0 H LYS A 189 6.012 -1.263 6.289 1.00 0.00 H new ATOM 0 HA LYS A 189 5.926 0.174 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 189 3.869 -1.342 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.421 -0.150 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 189 5.481 -2.189 3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 189 3.835 -2.759 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 189 4.027 -0.209 1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 189 4.861 -1.539 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 189 2.903 -2.762 0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 189 2.112 -2.112 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 1.138 -1.238 0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 1.872 0.014 1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 2.638 -0.616 -0.276 1.00 0.00 H new