USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=6 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 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+ -173:sc= 0 (180deg=-0.0728) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.12) 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 160:sc= -0.127 (180deg=-1.12) USER MOD Single : A 186 TYR OH : rot -54:sc= 0.931 USER MOD Single : A 189 LYS NZ :NH3+ -121:sc=-0.00698 (180deg=-0.329) USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 136 5.001 3.818 -0.228 1.00 0.00 N ATOM 27 CA TYR A 136 6.161 4.157 0.578 1.00 0.00 C ATOM 28 C TYR A 136 6.615 2.961 1.417 1.00 0.00 C ATOM 29 O TYR A 136 5.794 2.285 2.034 1.00 0.00 O ATOM 30 CB TYR A 136 5.710 5.281 1.513 1.00 0.00 C ATOM 31 CG TYR A 136 5.109 6.488 0.792 1.00 0.00 C ATOM 32 CD1 TYR A 136 3.762 6.515 0.496 1.00 0.00 C ATOM 33 CD2 TYR A 136 5.915 7.551 0.437 1.00 0.00 C ATOM 34 CE1 TYR A 136 3.197 7.652 -0.184 1.00 0.00 C ATOM 35 CE2 TYR A 136 5.350 8.688 -0.242 1.00 0.00 C ATOM 36 CZ TYR A 136 4.018 8.683 -0.520 1.00 0.00 C ATOM 37 OH TYR A 136 3.485 9.756 -1.161 1.00 0.00 O ATOM 0 HA TYR A 136 6.997 4.451 -0.057 1.00 0.00 H new ATOM 0 HB2 TYR A 136 4.973 4.885 2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 136 6.564 5.612 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 136 3.131 5.684 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 136 6.970 7.530 0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 136 2.144 7.685 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 136 5.970 9.526 -0.524 1.00 0.00 H new ATOM 0 HH TYR A 136 4.189 10.415 -1.337 1.00 0.00 H new ATOM 47 N VAL A 137 7.921 2.739 1.413 1.00 0.00 N ATOM 48 CA VAL A 137 8.493 1.635 2.167 1.00 0.00 C ATOM 49 C VAL A 137 9.658 2.153 3.014 1.00 0.00 C ATOM 50 O VAL A 137 10.201 3.224 2.743 1.00 0.00 O ATOM 51 CB VAL A 137 8.901 0.508 1.216 1.00 0.00 C ATOM 52 CG1 VAL A 137 7.729 -0.442 0.960 1.00 0.00 C ATOM 53 CG2 VAL A 137 9.450 1.069 -0.097 1.00 0.00 C ATOM 0 H VAL A 137 8.599 3.303 0.901 1.00 0.00 H new ATOM 0 HA VAL A 137 7.755 1.215 2.850 1.00 0.00 H new ATOM 0 HB VAL A 137 9.698 -0.062 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 137 8.044 -1.234 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 137 7.403 -0.881 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 137 6.903 0.111 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 137 9.732 0.247 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.685 1.675 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 137 10.325 1.686 0.108 1.00 0.00 H new ATOM 63 N ARG A 138 10.007 1.370 4.024 1.00 0.00 N ATOM 64 CA ARG A 138 11.097 1.735 4.913 1.00 0.00 C ATOM 65 C ARG A 138 12.115 0.597 5.000 1.00 0.00 C ATOM 66 O ARG A 138 11.752 -0.548 5.263 1.00 0.00 O ATOM 67 CB ARG A 138 10.579 2.056 6.316 1.00 0.00 C ATOM 68 CG ARG A 138 11.733 2.404 7.260 1.00 0.00 C ATOM 69 CD ARG A 138 12.241 3.824 7.003 1.00 0.00 C ATOM 70 NE ARG A 138 11.141 4.671 6.492 1.00 0.00 N ATOM 71 CZ ARG A 138 10.393 5.474 7.260 1.00 0.00 C ATOM 72 NH1 ARG A 138 10.620 5.544 8.578 1.00 0.00 N ATOM 73 NH2 ARG A 138 9.415 6.207 6.708 1.00 0.00 N ATOM 0 H ARG A 138 9.554 0.484 4.247 1.00 0.00 H new ATOM 0 HA ARG A 138 11.576 2.624 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 138 9.880 2.891 6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.028 1.201 6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.401 2.314 8.294 1.00 0.00 H new ATOM 0 HG3 ARG A 138 12.547 1.692 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 138 12.640 4.249 7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 138 13.058 3.802 6.282 1.00 0.00 H new ATOM 0 HE ARG A 138 10.940 4.642 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 138 11.363 4.986 8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 138 10.050 6.156 9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.241 6.153 5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.845 6.819 7.292 1.00 0.00 H new ATOM 87 N ALA A 139 13.372 0.951 4.772 1.00 0.00 N ATOM 88 CA ALA A 139 14.446 -0.026 4.823 1.00 0.00 C ATOM 89 C ALA A 139 15.199 0.117 6.146 1.00 0.00 C ATOM 90 O ALA A 139 15.758 1.174 6.436 1.00 0.00 O ATOM 91 CB ALA A 139 15.360 0.157 3.609 1.00 0.00 C ATOM 0 H ALA A 139 13.670 1.901 4.552 1.00 0.00 H new ATOM 0 HA ALA A 139 14.045 -1.039 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.166 -0.576 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.783 0.016 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.782 1.162 3.620 1.00 0.00 H new ATOM 97 N LEU A 140 15.190 -0.962 6.915 1.00 0.00 N ATOM 98 CA LEU A 140 15.865 -0.971 8.202 1.00 0.00 C ATOM 99 C LEU A 140 16.847 -2.143 8.250 1.00 0.00 C ATOM 100 O LEU A 140 17.156 -2.656 9.325 1.00 0.00 O ATOM 101 CB LEU A 140 14.846 -0.976 9.343 1.00 0.00 C ATOM 102 CG LEU A 140 13.375 -1.035 8.926 1.00 0.00 C ATOM 103 CD1 LEU A 140 13.039 -2.384 8.287 1.00 0.00 C ATOM 104 CD2 LEU A 140 12.457 -0.716 10.109 1.00 0.00 C ATOM 0 H LEU A 140 14.726 -1.837 6.671 1.00 0.00 H new ATOM 0 HA LEU A 140 16.449 -0.060 8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 140 15.055 -1.830 9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.998 -0.079 9.943 1.00 0.00 H new ATOM 0 HG LEU A 140 13.204 -0.270 8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.988 -2.399 8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.659 -2.532 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 140 13.231 -3.183 9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.417 -0.765 9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 140 12.624 -1.442 10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.675 0.286 10.479 1.00 0.00 H new ATOM 116 N PHE A 141 17.311 -2.535 7.072 1.00 0.00 N ATOM 117 CA PHE A 141 18.251 -3.636 6.966 1.00 0.00 C ATOM 118 C PHE A 141 19.406 -3.284 6.026 1.00 0.00 C ATOM 119 O PHE A 141 20.474 -3.890 6.093 1.00 0.00 O ATOM 120 CB PHE A 141 17.484 -4.826 6.387 1.00 0.00 C ATOM 121 CG PHE A 141 17.803 -6.162 7.062 1.00 0.00 C ATOM 122 CD1 PHE A 141 19.015 -6.748 6.869 1.00 0.00 C ATOM 123 CD2 PHE A 141 16.876 -6.762 7.856 1.00 0.00 C ATOM 124 CE1 PHE A 141 19.312 -7.987 7.495 1.00 0.00 C ATOM 125 CE2 PHE A 141 17.173 -8.001 8.483 1.00 0.00 C ATOM 126 CZ PHE A 141 18.384 -8.588 8.289 1.00 0.00 C ATOM 0 H PHE A 141 17.052 -2.108 6.182 1.00 0.00 H new ATOM 0 HA PHE A 141 18.671 -3.860 7.946 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.415 -4.633 6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.707 -4.906 5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 141 19.751 -6.271 6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.914 -6.296 8.010 1.00 0.00 H new ATOM 0 HE1 PHE A 141 20.274 -8.453 7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 141 16.437 -8.477 9.114 1.00 0.00 H new ATOM 0 HZ PHE A 141 18.610 -9.531 8.765 1.00 0.00 H new ATOM 136 N ASP A 142 19.152 -2.305 5.170 1.00 0.00 N ATOM 137 CA ASP A 142 20.157 -1.865 4.217 1.00 0.00 C ATOM 138 C ASP A 142 20.569 -3.044 3.335 1.00 0.00 C ATOM 139 O ASP A 142 20.430 -4.200 3.734 1.00 0.00 O ATOM 140 CB ASP A 142 21.407 -1.351 4.933 1.00 0.00 C ATOM 141 CG ASP A 142 22.684 -1.360 4.092 1.00 0.00 C ATOM 142 OD1 ASP A 142 22.800 -0.467 3.225 1.00 0.00 O ATOM 143 OD2 ASP A 142 23.517 -2.261 4.334 1.00 0.00 O ATOM 0 H ASP A 142 18.265 -1.804 5.116 1.00 0.00 H new ATOM 0 HA ASP A 142 19.726 -1.061 3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.220 -0.332 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 142 21.572 -1.957 5.824 1.00 0.00 H new ATOM 148 N PHE A 143 21.067 -2.713 2.152 1.00 0.00 N ATOM 149 CA PHE A 143 21.500 -3.731 1.211 1.00 0.00 C ATOM 150 C PHE A 143 22.461 -3.145 0.174 1.00 0.00 C ATOM 151 O PHE A 143 23.507 -3.728 -0.106 1.00 0.00 O ATOM 152 CB PHE A 143 20.247 -4.241 0.497 1.00 0.00 C ATOM 153 CG PHE A 143 20.506 -4.762 -0.918 1.00 0.00 C ATOM 154 CD1 PHE A 143 21.661 -5.424 -1.199 1.00 0.00 C ATOM 155 CD2 PHE A 143 19.582 -4.564 -1.896 1.00 0.00 C ATOM 156 CE1 PHE A 143 21.901 -5.908 -2.512 1.00 0.00 C ATOM 157 CE2 PHE A 143 19.822 -5.048 -3.209 1.00 0.00 C ATOM 158 CZ PHE A 143 20.977 -5.709 -3.489 1.00 0.00 C ATOM 0 H PHE A 143 21.180 -1.754 1.824 1.00 0.00 H new ATOM 0 HA PHE A 143 22.021 -4.530 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 143 19.802 -5.039 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.515 -3.434 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 143 22.395 -5.581 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 143 18.665 -4.038 -1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 143 22.818 -6.434 -2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 143 19.088 -4.891 -3.985 1.00 0.00 H new ATOM 0 HZ PHE A 143 21.160 -6.076 -4.488 1.00 0.00 H new ATOM 245 N ASP A 150 18.416 -4.020 -8.806 1.00 0.00 N ATOM 246 CA ASP A 150 17.536 -3.842 -7.663 1.00 0.00 C ATOM 247 C ASP A 150 17.715 -2.429 -7.103 1.00 0.00 C ATOM 248 O ASP A 150 18.623 -1.705 -7.512 1.00 0.00 O ATOM 249 CB ASP A 150 17.871 -4.836 -6.550 1.00 0.00 C ATOM 250 CG ASP A 150 19.312 -5.350 -6.553 1.00 0.00 C ATOM 251 OD1 ASP A 150 19.553 -6.362 -7.247 1.00 0.00 O ATOM 252 OD2 ASP A 150 20.141 -4.720 -5.862 1.00 0.00 O ATOM 0 HA ASP A 150 16.512 -4.006 -7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 150 17.672 -4.362 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 150 17.197 -5.689 -6.630 1.00 0.00 H new ATOM 257 N LEU A 151 16.836 -2.078 -6.177 1.00 0.00 N ATOM 258 CA LEU A 151 16.885 -0.764 -5.557 1.00 0.00 C ATOM 259 C LEU A 151 17.697 -0.846 -4.263 1.00 0.00 C ATOM 260 O LEU A 151 17.332 -1.575 -3.342 1.00 0.00 O ATOM 261 CB LEU A 151 15.473 -0.210 -5.362 1.00 0.00 C ATOM 262 CG LEU A 151 15.297 0.790 -4.219 1.00 0.00 C ATOM 263 CD1 LEU A 151 16.331 1.914 -4.308 1.00 0.00 C ATOM 264 CD2 LEU A 151 13.866 1.331 -4.178 1.00 0.00 C ATOM 0 H LEU A 151 16.085 -2.680 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 151 17.393 -0.054 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 151 15.161 0.270 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 151 14.796 -1.047 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 151 15.471 0.266 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 151 16.183 2.611 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 151 17.334 1.491 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 151 16.214 2.442 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 151 13.768 2.040 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 151 13.640 1.833 -5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.169 0.506 -4.030 1.00 0.00 H new ATOM 276 N PRO A 152 18.813 -0.069 -4.234 1.00 0.00 N ATOM 277 CA PRO A 152 19.680 -0.048 -3.068 1.00 0.00 C ATOM 278 C PRO A 152 19.048 0.757 -1.931 1.00 0.00 C ATOM 279 O PRO A 152 18.670 1.913 -2.118 1.00 0.00 O ATOM 280 CB PRO A 152 20.988 0.548 -3.561 1.00 0.00 C ATOM 281 CG PRO A 152 20.657 1.264 -4.861 1.00 0.00 C ATOM 282 CD PRO A 152 19.278 0.806 -5.307 1.00 0.00 C ATOM 0 HA PRO A 152 19.844 -1.040 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 152 21.402 1.241 -2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 152 21.735 -0.229 -3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 152 20.672 2.344 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 152 21.401 1.034 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 152 18.606 1.652 -5.447 1.00 0.00 H new ATOM 0 HD3 PRO A 152 19.325 0.276 -6.258 1.00 0.00 H new ATOM 290 N PHE A 153 18.954 0.115 -0.775 1.00 0.00 N ATOM 291 CA PHE A 153 18.375 0.756 0.392 1.00 0.00 C ATOM 292 C PHE A 153 19.315 0.660 1.595 1.00 0.00 C ATOM 293 O PHE A 153 20.313 -0.059 1.550 1.00 0.00 O ATOM 294 CB PHE A 153 17.077 0.013 0.714 1.00 0.00 C ATOM 295 CG PHE A 153 17.260 -1.490 0.936 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.661 -1.954 2.151 1.00 0.00 C ATOM 297 CD2 PHE A 153 17.022 -2.363 -0.080 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.831 -3.348 2.357 1.00 0.00 C ATOM 299 CE2 PHE A 153 17.192 -3.757 0.127 1.00 0.00 C ATOM 300 CZ PHE A 153 17.592 -4.220 1.341 1.00 0.00 C ATOM 0 H PHE A 153 19.270 -0.843 -0.623 1.00 0.00 H new ATOM 0 HA PHE A 153 18.199 1.812 0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 153 16.632 0.450 1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 153 16.370 0.166 -0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 153 17.850 -1.262 2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 153 16.704 -1.995 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 153 18.150 -3.716 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 153 17.004 -4.450 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 153 17.720 -5.281 1.499 1.00 0.00 H new ATOM 310 N LYS A 154 18.965 1.393 2.641 1.00 0.00 N ATOM 311 CA LYS A 154 19.766 1.398 3.854 1.00 0.00 C ATOM 312 C LYS A 154 18.899 0.954 5.034 1.00 0.00 C ATOM 313 O LYS A 154 17.708 0.694 4.871 1.00 0.00 O ATOM 314 CB LYS A 154 20.425 2.764 4.054 1.00 0.00 C ATOM 315 CG LYS A 154 21.950 2.648 4.014 1.00 0.00 C ATOM 316 CD LYS A 154 22.538 2.651 5.426 1.00 0.00 C ATOM 317 CE LYS A 154 23.971 3.189 5.422 1.00 0.00 C ATOM 318 NZ LYS A 154 24.801 2.460 6.407 1.00 0.00 N ATOM 0 H LYS A 154 18.137 1.988 2.674 1.00 0.00 H new ATOM 0 HA LYS A 154 20.585 0.683 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 154 20.088 3.451 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 154 20.114 3.186 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 154 22.235 1.730 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 154 22.366 3.477 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 154 21.918 3.263 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 154 22.527 1.639 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 154 24.402 3.085 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 154 23.967 4.253 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 25.770 2.837 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 24.398 2.581 7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 24.819 1.449 6.165 1.00 0.00 H new ATOM 332 N LYS A 155 19.531 0.882 6.196 1.00 0.00 N ATOM 333 CA LYS A 155 18.833 0.474 7.404 1.00 0.00 C ATOM 334 C LYS A 155 18.057 1.667 7.967 1.00 0.00 C ATOM 335 O LYS A 155 18.188 1.996 9.145 1.00 0.00 O ATOM 336 CB LYS A 155 19.809 -0.152 8.401 1.00 0.00 C ATOM 337 CG LYS A 155 20.906 0.841 8.792 1.00 0.00 C ATOM 338 CD LYS A 155 20.552 1.565 10.092 1.00 0.00 C ATOM 339 CE LYS A 155 20.347 3.061 9.849 1.00 0.00 C ATOM 340 NZ LYS A 155 21.498 3.833 10.368 1.00 0.00 N ATOM 0 H LYS A 155 20.519 1.099 6.327 1.00 0.00 H new ATOM 0 HA LYS A 155 18.103 -0.303 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 155 19.269 -0.472 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.259 -1.043 7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 155 21.853 0.314 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 155 21.045 1.569 7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.645 1.134 10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 155 21.347 1.417 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 155 20.227 3.249 8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 155 19.430 3.392 10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 21.343 4.847 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 21.595 3.667 11.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 22.367 3.528 9.884 1.00 0.00 H new ATOM 354 N GLY A 156 17.269 2.283 7.098 1.00 0.00 N ATOM 355 CA GLY A 156 16.473 3.432 7.495 1.00 0.00 C ATOM 356 C GLY A 156 16.263 4.386 6.317 1.00 0.00 C ATOM 357 O GLY A 156 16.224 5.602 6.498 1.00 0.00 O ATOM 0 H GLY A 156 17.165 2.008 6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 156 15.507 3.097 7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 156 16.969 3.959 8.310 1.00 0.00 H new ATOM 361 N ASP A 157 16.132 3.798 5.136 1.00 0.00 N ATOM 362 CA ASP A 157 15.926 4.579 3.930 1.00 0.00 C ATOM 363 C ASP A 157 14.427 4.674 3.637 1.00 0.00 C ATOM 364 O ASP A 157 13.639 3.886 4.158 1.00 0.00 O ATOM 365 CB ASP A 157 16.603 3.922 2.726 1.00 0.00 C ATOM 366 CG ASP A 157 16.424 4.663 1.399 1.00 0.00 C ATOM 367 OD1 ASP A 157 16.407 5.912 1.444 1.00 0.00 O ATOM 368 OD2 ASP A 157 16.309 3.964 0.369 1.00 0.00 O ATOM 0 H ASP A 157 16.165 2.789 4.990 1.00 0.00 H new ATOM 0 HA ASP A 157 16.357 5.567 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 157 17.669 3.831 2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 157 16.212 2.911 2.616 1.00 0.00 H new ATOM 373 N ILE A 158 14.079 5.643 2.804 1.00 0.00 N ATOM 374 CA ILE A 158 12.689 5.850 2.436 1.00 0.00 C ATOM 375 C ILE A 158 12.532 5.658 0.926 1.00 0.00 C ATOM 376 O ILE A 158 13.184 6.341 0.139 1.00 0.00 O ATOM 377 CB ILE A 158 12.198 7.210 2.937 1.00 0.00 C ATOM 378 CG1 ILE A 158 12.740 7.506 4.338 1.00 0.00 C ATOM 379 CG2 ILE A 158 10.672 7.296 2.883 1.00 0.00 C ATOM 380 CD1 ILE A 158 11.653 7.317 5.397 1.00 0.00 C ATOM 0 H ILE A 158 14.736 6.294 2.373 1.00 0.00 H new ATOM 0 HA ILE A 158 12.053 5.109 2.920 1.00 0.00 H new ATOM 0 HB ILE A 158 12.587 7.980 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 158 13.581 6.847 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 158 13.118 8.528 4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 158 10.350 8.272 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 158 10.336 7.161 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 158 10.241 6.516 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 158 12.064 7.533 6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 158 10.824 7.995 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 158 11.295 6.288 5.371 1.00 0.00 H new ATOM 392 N LEU A 159 11.662 4.724 0.568 1.00 0.00 N ATOM 393 CA LEU A 159 11.411 4.434 -0.833 1.00 0.00 C ATOM 394 C LEU A 159 9.902 4.410 -1.082 1.00 0.00 C ATOM 395 O LEU A 159 9.114 4.625 -0.162 1.00 0.00 O ATOM 396 CB LEU A 159 12.123 3.145 -1.250 1.00 0.00 C ATOM 397 CG LEU A 159 13.352 2.761 -0.422 1.00 0.00 C ATOM 398 CD1 LEU A 159 13.016 1.653 0.577 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.525 2.380 -1.328 1.00 0.00 C ATOM 0 H LEU A 159 11.123 4.159 1.224 1.00 0.00 H new ATOM 0 HA LEU A 159 11.827 5.219 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.406 2.325 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.427 3.242 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 159 13.661 3.632 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 159 13.907 1.399 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 159 12.233 1.998 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 159 12.668 0.771 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 159 15.386 2.111 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 159 14.243 1.531 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.783 3.226 -1.965 1.00 0.00 H new ATOM 411 N ARG A 160 9.544 4.146 -2.331 1.00 0.00 N ATOM 412 CA ARG A 160 8.143 4.091 -2.712 1.00 0.00 C ATOM 413 C ARG A 160 7.870 2.841 -3.550 1.00 0.00 C ATOM 414 O ARG A 160 8.776 2.306 -4.187 1.00 0.00 O ATOM 415 CB ARG A 160 7.742 5.331 -3.513 1.00 0.00 C ATOM 416 CG ARG A 160 8.870 5.767 -4.450 1.00 0.00 C ATOM 417 CD ARG A 160 8.334 6.643 -5.585 1.00 0.00 C ATOM 418 NE ARG A 160 7.763 7.892 -5.034 1.00 0.00 N ATOM 419 CZ ARG A 160 8.495 8.886 -4.511 1.00 0.00 C ATOM 420 NH1 ARG A 160 9.830 8.781 -4.464 1.00 0.00 N ATOM 421 NH2 ARG A 160 7.892 9.983 -4.034 1.00 0.00 N ATOM 0 H ARG A 160 10.200 3.968 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 160 7.551 4.056 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.844 5.119 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.496 6.145 -2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 160 9.623 6.317 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 160 9.362 4.888 -4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 160 9.137 6.878 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.572 6.101 -6.145 1.00 0.00 H new ATOM 0 HE ARG A 160 6.749 8.004 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 160 10.289 7.945 -4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 160 10.387 9.537 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 160 6.876 10.062 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 160 8.449 10.739 -3.636 1.00 0.00 H new ATOM 435 N ILE A 161 6.617 2.411 -3.521 1.00 0.00 N ATOM 436 CA ILE A 161 6.212 1.233 -4.270 1.00 0.00 C ATOM 437 C ILE A 161 5.670 1.663 -5.634 1.00 0.00 C ATOM 438 O ILE A 161 4.660 2.361 -5.713 1.00 0.00 O ATOM 439 CB ILE A 161 5.229 0.391 -3.455 1.00 0.00 C ATOM 440 CG1 ILE A 161 5.886 -0.904 -2.972 1.00 0.00 C ATOM 441 CG2 ILE A 161 3.947 0.125 -4.247 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.293 -0.639 -2.437 1.00 0.00 C ATOM 0 H ILE A 161 5.869 2.857 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 161 7.070 0.587 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 161 4.946 0.958 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.275 -1.356 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 161 5.934 -1.619 -3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.265 -0.476 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.471 1.073 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.190 -0.412 -5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 161 7.737 -1.576 -2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 161 7.908 -0.210 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 161 7.239 0.058 -1.601 1.00 0.00 H new ATOM 454 N ARG A 162 6.365 1.229 -6.676 1.00 0.00 N ATOM 455 CA ARG A 162 5.965 1.561 -8.033 1.00 0.00 C ATOM 456 C ARG A 162 5.226 0.382 -8.671 1.00 0.00 C ATOM 457 O ARG A 162 4.150 0.555 -9.241 1.00 0.00 O ATOM 458 CB ARG A 162 7.178 1.919 -8.892 1.00 0.00 C ATOM 459 CG ARG A 162 6.765 2.185 -10.342 1.00 0.00 C ATOM 460 CD ARG A 162 7.952 2.013 -11.290 1.00 0.00 C ATOM 461 NE ARG A 162 7.496 2.111 -12.695 1.00 0.00 N ATOM 462 CZ ARG A 162 7.080 3.247 -13.273 1.00 0.00 C ATOM 463 NH1 ARG A 162 7.062 4.388 -12.571 1.00 0.00 N ATOM 464 NH2 ARG A 162 6.684 3.241 -14.553 1.00 0.00 N ATOM 0 H ARG A 162 7.202 0.651 -6.608 1.00 0.00 H new ATOM 0 HA ARG A 162 5.303 2.425 -7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.670 2.801 -8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.903 1.106 -8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 162 5.965 1.502 -10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 162 6.367 3.196 -10.431 1.00 0.00 H new ATOM 0 HD2 ARG A 162 8.703 2.777 -11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 162 8.427 1.047 -11.120 1.00 0.00 H new ATOM 0 HE ARG A 162 7.498 1.261 -13.259 1.00 0.00 H new ATOM 0 HH11 ARG A 162 7.365 4.392 -11.597 1.00 0.00 H new ATOM 0 HH12 ARG A 162 6.746 5.252 -13.011 1.00 0.00 H new ATOM 0 HH21 ARG A 162 6.699 2.372 -15.087 1.00 0.00 H new ATOM 0 HH22 ARG A 162 6.367 4.105 -14.993 1.00 0.00 H new ATOM 478 N ASP A 163 5.834 -0.789 -8.554 1.00 0.00 N ATOM 479 CA ASP A 163 5.247 -1.996 -9.113 1.00 0.00 C ATOM 480 C ASP A 163 5.663 -3.199 -8.264 1.00 0.00 C ATOM 481 O ASP A 163 6.468 -3.067 -7.344 1.00 0.00 O ATOM 482 CB ASP A 163 5.736 -2.234 -10.542 1.00 0.00 C ATOM 483 CG ASP A 163 4.727 -1.881 -11.637 1.00 0.00 C ATOM 484 OD1 ASP A 163 4.506 -0.667 -11.835 1.00 0.00 O ATOM 485 OD2 ASP A 163 4.201 -2.833 -12.253 1.00 0.00 O ATOM 0 H ASP A 163 6.727 -0.928 -8.081 1.00 0.00 H new ATOM 0 HA ASP A 163 4.164 -1.874 -9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 163 6.642 -1.650 -10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 163 6.010 -3.284 -10.646 1.00 0.00 H new ATOM 490 N LYS A 164 5.094 -4.347 -8.604 1.00 0.00 N ATOM 491 CA LYS A 164 5.396 -5.573 -7.885 1.00 0.00 C ATOM 492 C LYS A 164 5.503 -6.729 -8.881 1.00 0.00 C ATOM 493 O LYS A 164 4.537 -7.051 -9.571 1.00 0.00 O ATOM 494 CB LYS A 164 4.368 -5.810 -6.776 1.00 0.00 C ATOM 495 CG LYS A 164 4.496 -4.754 -5.676 1.00 0.00 C ATOM 496 CD LYS A 164 3.310 -3.787 -5.703 1.00 0.00 C ATOM 497 CE LYS A 164 2.189 -4.269 -4.782 1.00 0.00 C ATOM 498 NZ LYS A 164 1.248 -5.140 -5.522 1.00 0.00 N ATOM 0 H LYS A 164 4.426 -4.453 -9.367 1.00 0.00 H new ATOM 0 HA LYS A 164 6.360 -5.493 -7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 164 3.362 -5.783 -7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 164 4.510 -6.803 -6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 164 4.550 -5.242 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 164 5.425 -4.199 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 164 3.638 -2.795 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 164 2.934 -3.695 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 164 2.613 -4.815 -3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 164 1.654 -3.413 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 0.432 -5.362 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 0.921 -4.649 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 1.729 -6.022 -5.791 1.00 0.00 H new ATOM 512 N PRO A 165 6.718 -7.339 -8.925 1.00 0.00 N ATOM 513 CA PRO A 165 6.964 -8.453 -9.825 1.00 0.00 C ATOM 514 C PRO A 165 6.302 -9.733 -9.307 1.00 0.00 C ATOM 515 O PRO A 165 5.559 -10.388 -10.035 1.00 0.00 O ATOM 516 CB PRO A 165 8.478 -8.561 -9.912 1.00 0.00 C ATOM 517 CG PRO A 165 9.019 -7.812 -8.705 1.00 0.00 C ATOM 518 CD PRO A 165 7.885 -6.985 -8.122 1.00 0.00 C ATOM 0 HA PRO A 165 6.531 -8.299 -10.813 1.00 0.00 H new ATOM 0 HB2 PRO A 165 8.797 -9.603 -9.900 1.00 0.00 H new ATOM 0 HB3 PRO A 165 8.848 -8.125 -10.840 1.00 0.00 H new ATOM 0 HG2 PRO A 165 9.402 -8.512 -7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 165 9.850 -7.169 -8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.726 -7.217 -7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 165 8.100 -5.918 -8.184 1.00 0.00 H new ATOM 526 N GLU A 166 6.597 -10.048 -8.055 1.00 0.00 N ATOM 527 CA GLU A 166 6.040 -11.237 -7.432 1.00 0.00 C ATOM 528 C GLU A 166 5.379 -10.878 -6.101 1.00 0.00 C ATOM 529 O GLU A 166 4.241 -10.411 -6.074 1.00 0.00 O ATOM 530 CB GLU A 166 7.114 -12.309 -7.239 1.00 0.00 C ATOM 531 CG GLU A 166 7.565 -12.881 -8.585 1.00 0.00 C ATOM 532 CD GLU A 166 6.456 -13.716 -9.227 1.00 0.00 C ATOM 533 OE1 GLU A 166 6.209 -14.826 -8.708 1.00 0.00 O ATOM 534 OE2 GLU A 166 5.879 -13.224 -10.221 1.00 0.00 O ATOM 0 H GLU A 166 7.214 -9.501 -7.455 1.00 0.00 H new ATOM 0 HA GLU A 166 5.278 -11.648 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.970 -11.882 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 166 6.725 -13.110 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.846 -12.067 -9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 166 8.453 -13.497 -8.443 1.00 0.00 H new ATOM 541 N GLU A 167 6.119 -11.110 -5.026 1.00 0.00 N ATOM 542 CA GLU A 167 5.619 -10.817 -3.694 1.00 0.00 C ATOM 543 C GLU A 167 6.782 -10.643 -2.717 1.00 0.00 C ATOM 544 O GLU A 167 6.787 -9.716 -1.909 1.00 0.00 O ATOM 545 CB GLU A 167 4.659 -11.908 -3.216 1.00 0.00 C ATOM 546 CG GLU A 167 5.343 -13.277 -3.216 1.00 0.00 C ATOM 547 CD GLU A 167 4.353 -14.383 -2.843 1.00 0.00 C ATOM 548 OE1 GLU A 167 3.161 -14.214 -3.177 1.00 0.00 O ATOM 549 OE2 GLU A 167 4.811 -15.373 -2.234 1.00 0.00 O ATOM 0 H GLU A 167 7.062 -11.498 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 167 5.061 -9.881 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 167 4.307 -11.673 -2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 167 3.782 -11.935 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 167 5.764 -13.478 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 167 6.173 -13.273 -2.510 1.00 0.00 H new ATOM 556 N GLN A 168 7.742 -11.552 -2.821 1.00 0.00 N ATOM 557 CA GLN A 168 8.908 -11.512 -1.956 1.00 0.00 C ATOM 558 C GLN A 168 9.628 -10.169 -2.097 1.00 0.00 C ATOM 559 O GLN A 168 10.035 -9.571 -1.102 1.00 0.00 O ATOM 560 CB GLN A 168 9.855 -12.675 -2.256 1.00 0.00 C ATOM 561 CG GLN A 168 9.276 -13.998 -1.749 1.00 0.00 C ATOM 562 CD GLN A 168 10.388 -15.012 -1.471 1.00 0.00 C ATOM 563 OE1 GLN A 168 10.842 -15.728 -2.346 1.00 0.00 O ATOM 564 NE2 GLN A 168 10.798 -15.031 -0.206 1.00 0.00 N ATOM 0 H GLN A 168 7.735 -12.320 -3.492 1.00 0.00 H new ATOM 0 HA GLN A 168 8.573 -11.617 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 168 10.030 -12.738 -3.330 1.00 0.00 H new ATOM 0 HB3 GLN A 168 10.821 -12.493 -1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.702 -13.823 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.585 -14.404 -2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 168 10.374 -14.403 0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 168 11.536 -15.673 0.081 1.00 0.00 H new ATOM 573 N TRP A 169 9.762 -9.733 -3.341 1.00 0.00 N ATOM 574 CA TRP A 169 10.424 -8.473 -3.625 1.00 0.00 C ATOM 575 C TRP A 169 9.414 -7.551 -4.313 1.00 0.00 C ATOM 576 O TRP A 169 8.581 -8.010 -5.093 1.00 0.00 O ATOM 577 CB TRP A 169 11.691 -8.694 -4.455 1.00 0.00 C ATOM 578 CG TRP A 169 12.844 -9.325 -3.672 1.00 0.00 C ATOM 579 CD1 TRP A 169 12.916 -10.563 -3.164 1.00 0.00 C ATOM 580 CD2 TRP A 169 14.096 -8.696 -3.326 1.00 0.00 C ATOM 581 NE1 TRP A 169 14.117 -10.777 -2.520 1.00 0.00 N ATOM 582 CE2 TRP A 169 14.857 -9.605 -2.622 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.569 -7.400 -3.601 1.00 0.00 C ATOM 584 CZ2 TRP A 169 16.137 -9.316 -2.132 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.849 -7.127 -3.105 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.629 -8.032 -2.394 1.00 0.00 C ATOM 0 H TRP A 169 9.423 -10.231 -4.164 1.00 0.00 H new ATOM 0 HA TRP A 169 10.758 -7.998 -2.703 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.450 -9.333 -5.305 1.00 0.00 H new ATOM 0 HB3 TRP A 169 12.020 -7.737 -4.859 1.00 0.00 H new ATOM 0 HD1 TRP A 169 12.132 -11.301 -3.248 1.00 0.00 H new ATOM 0 HE1 TRP A 169 14.408 -11.637 -2.055 1.00 0.00 H new ATOM 0 HE3 TRP A 169 13.990 -6.673 -4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 16.713 -10.045 -1.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 16.259 -6.145 -3.287 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.610 -7.746 -2.045 1.00 0.00 H new ATOM 597 N TRP A 170 9.521 -6.269 -3.996 1.00 0.00 N ATOM 598 CA TRP A 170 8.626 -5.279 -4.574 1.00 0.00 C ATOM 599 C TRP A 170 9.472 -4.291 -5.380 1.00 0.00 C ATOM 600 O TRP A 170 10.602 -3.983 -5.002 1.00 0.00 O ATOM 601 CB TRP A 170 7.785 -4.602 -3.490 1.00 0.00 C ATOM 602 CG TRP A 170 6.712 -5.506 -2.880 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.313 -6.712 -3.302 1.00 0.00 C ATOM 604 CD2 TRP A 170 5.912 -5.223 -1.712 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.317 -7.226 -2.495 1.00 0.00 N ATOM 606 CE2 TRP A 170 5.067 -6.292 -1.497 1.00 0.00 C ATOM 607 CE3 TRP A 170 5.905 -4.101 -0.864 1.00 0.00 C ATOM 608 CZ2 TRP A 170 4.151 -6.345 -0.440 1.00 0.00 C ATOM 609 CZ3 TRP A 170 4.984 -4.169 0.188 1.00 0.00 C ATOM 610 CH2 TRP A 170 4.125 -5.238 0.417 1.00 0.00 C ATOM 0 H TRP A 170 10.212 -5.893 -3.347 1.00 0.00 H new ATOM 0 HA TRP A 170 7.909 -5.751 -5.245 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.446 -4.253 -2.696 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.305 -3.721 -3.915 1.00 0.00 H new ATOM 0 HD1 TRP A 170 6.719 -7.219 -4.165 1.00 0.00 H new ATOM 0 HE1 TRP A 170 4.851 -8.126 -2.610 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.558 -3.254 -1.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.500 -7.194 -0.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 4.937 -3.332 0.870 1.00 0.00 H new ATOM 0 HH2 TRP A 170 3.441 -5.215 1.252 1.00 0.00 H new ATOM 621 N ASN A 171 8.893 -3.822 -6.474 1.00 0.00 N ATOM 622 CA ASN A 171 9.578 -2.874 -7.337 1.00 0.00 C ATOM 623 C ASN A 171 9.320 -1.452 -6.834 1.00 0.00 C ATOM 624 O ASN A 171 8.394 -0.786 -7.296 1.00 0.00 O ATOM 625 CB ASN A 171 9.066 -2.968 -8.775 1.00 0.00 C ATOM 626 CG ASN A 171 9.915 -2.109 -9.717 1.00 0.00 C ATOM 627 OD1 ASN A 171 10.987 -2.495 -10.154 1.00 0.00 O ATOM 628 ND2 ASN A 171 9.377 -0.926 -10.000 1.00 0.00 N ATOM 0 H ASN A 171 7.956 -4.081 -6.784 1.00 0.00 H new ATOM 0 HA ASN A 171 10.642 -3.109 -7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 171 9.088 -4.007 -9.105 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.027 -2.642 -8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 171 9.866 -0.278 -10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 171 8.476 -0.667 -9.599 1.00 0.00 H new ATOM 635 N ALA A 172 10.153 -1.030 -5.895 1.00 0.00 N ATOM 636 CA ALA A 172 10.025 0.300 -5.323 1.00 0.00 C ATOM 637 C ALA A 172 11.027 1.239 -5.999 1.00 0.00 C ATOM 638 O ALA A 172 11.920 0.788 -6.714 1.00 0.00 O ATOM 639 CB ALA A 172 10.223 0.227 -3.808 1.00 0.00 C ATOM 0 H ALA A 172 10.920 -1.585 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 172 9.027 0.700 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 172 10.127 1.225 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.468 -0.428 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 172 11.215 -0.167 -3.589 1.00 0.00 H new ATOM 645 N GLU A 173 10.845 2.527 -5.748 1.00 0.00 N ATOM 646 CA GLU A 173 11.723 3.532 -6.322 1.00 0.00 C ATOM 647 C GLU A 173 12.502 4.250 -5.218 1.00 0.00 C ATOM 648 O GLU A 173 11.955 4.542 -4.156 1.00 0.00 O ATOM 649 CB GLU A 173 10.931 4.529 -7.171 1.00 0.00 C ATOM 650 CG GLU A 173 11.176 4.295 -8.663 1.00 0.00 C ATOM 651 CD GLU A 173 10.307 5.222 -9.514 1.00 0.00 C ATOM 652 OE1 GLU A 173 10.330 6.439 -9.230 1.00 0.00 O ATOM 653 OE2 GLU A 173 9.638 4.693 -10.429 1.00 0.00 O ATOM 0 H GLU A 173 10.103 2.898 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 173 12.437 3.032 -6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.867 4.432 -6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 173 11.219 5.546 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.228 4.464 -8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 173 10.958 3.256 -8.912 1.00 0.00 H new ATOM 660 N ASP A 174 13.768 4.513 -5.507 1.00 0.00 N ATOM 661 CA ASP A 174 14.629 5.190 -4.553 1.00 0.00 C ATOM 662 C ASP A 174 14.319 6.689 -4.568 1.00 0.00 C ATOM 663 O ASP A 174 13.746 7.199 -5.529 1.00 0.00 O ATOM 664 CB ASP A 174 16.104 5.009 -4.915 1.00 0.00 C ATOM 665 CG ASP A 174 17.056 4.921 -3.721 1.00 0.00 C ATOM 666 OD1 ASP A 174 16.989 5.835 -2.872 1.00 0.00 O ATOM 667 OD2 ASP A 174 17.832 3.940 -3.685 1.00 0.00 O ATOM 0 H ASP A 174 14.218 4.269 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 174 14.445 4.760 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 174 16.208 4.102 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.413 5.842 -5.546 1.00 0.00 H new ATOM 672 N SER A 175 14.712 7.352 -3.490 1.00 0.00 N ATOM 673 CA SER A 175 14.484 8.782 -3.367 1.00 0.00 C ATOM 674 C SER A 175 14.993 9.502 -4.616 1.00 0.00 C ATOM 675 O SER A 175 14.571 10.620 -4.909 1.00 0.00 O ATOM 676 CB SER A 175 15.164 9.343 -2.117 1.00 0.00 C ATOM 677 OG SER A 175 14.227 9.623 -1.080 1.00 0.00 O ATOM 0 H SER A 175 15.187 6.926 -2.694 1.00 0.00 H new ATOM 0 HA SER A 175 13.411 8.950 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 175 15.903 8.628 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 175 15.702 10.255 -2.375 1.00 0.00 H new ATOM 0 HG SER A 175 14.700 9.978 -0.299 1.00 0.00 H new ATOM 683 N GLU A 176 15.894 8.833 -5.322 1.00 0.00 N ATOM 684 CA GLU A 176 16.466 9.396 -6.533 1.00 0.00 C ATOM 685 C GLU A 176 15.521 9.178 -7.716 1.00 0.00 C ATOM 686 O GLU A 176 15.514 9.963 -8.663 1.00 0.00 O ATOM 687 CB GLU A 176 17.846 8.800 -6.815 1.00 0.00 C ATOM 688 CG GLU A 176 18.748 8.895 -5.582 1.00 0.00 C ATOM 689 CD GLU A 176 20.146 8.351 -5.883 1.00 0.00 C ATOM 690 OE1 GLU A 176 20.584 8.517 -7.041 1.00 0.00 O ATOM 691 OE2 GLU A 176 20.746 7.781 -4.945 1.00 0.00 O ATOM 0 H GLU A 176 16.242 7.906 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 176 16.593 10.469 -6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.741 7.757 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.309 9.326 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 176 18.820 9.933 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 176 18.305 8.334 -4.759 1.00 0.00 H new ATOM 698 N GLY A 177 14.747 8.106 -7.625 1.00 0.00 N ATOM 699 CA GLY A 177 13.800 7.774 -8.676 1.00 0.00 C ATOM 700 C GLY A 177 14.255 6.537 -9.452 1.00 0.00 C ATOM 701 O GLY A 177 13.970 6.405 -10.641 1.00 0.00 O ATOM 0 H GLY A 177 14.757 7.456 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 177 12.817 7.594 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 177 13.697 8.618 -9.358 1.00 0.00 H new ATOM 705 N LYS A 178 14.954 5.658 -8.747 1.00 0.00 N ATOM 706 CA LYS A 178 15.451 4.436 -9.355 1.00 0.00 C ATOM 707 C LYS A 178 14.458 3.302 -9.092 1.00 0.00 C ATOM 708 O LYS A 178 14.221 2.933 -7.943 1.00 0.00 O ATOM 709 CB LYS A 178 16.870 4.136 -8.869 1.00 0.00 C ATOM 710 CG LYS A 178 17.854 5.200 -9.360 1.00 0.00 C ATOM 711 CD LYS A 178 18.884 4.595 -10.317 1.00 0.00 C ATOM 712 CE LYS A 178 20.221 4.363 -9.609 1.00 0.00 C ATOM 713 NZ LYS A 178 21.338 4.438 -10.577 1.00 0.00 N ATOM 0 H LYS A 178 15.187 5.769 -7.760 1.00 0.00 H new ATOM 0 HA LYS A 178 15.527 4.550 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 178 16.885 4.097 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.181 3.155 -9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 178 17.310 5.999 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 178 18.364 5.650 -8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 178 18.509 3.651 -10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 178 19.030 5.260 -11.168 1.00 0.00 H new ATOM 0 HE2 LYS A 178 20.359 5.109 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 178 20.218 3.387 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 22.238 4.279 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 21.212 3.710 -11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 21.349 5.378 -11.022 1.00 0.00 H new ATOM 727 N ARG A 179 13.905 2.779 -10.177 1.00 0.00 N ATOM 728 CA ARG A 179 12.943 1.695 -10.078 1.00 0.00 C ATOM 729 C ARG A 179 13.666 0.349 -10.005 1.00 0.00 C ATOM 730 O ARG A 179 14.285 -0.082 -10.978 1.00 0.00 O ATOM 731 CB ARG A 179 11.993 1.690 -11.277 1.00 0.00 C ATOM 732 CG ARG A 179 11.767 3.110 -11.803 1.00 0.00 C ATOM 733 CD ARG A 179 10.595 3.151 -12.786 1.00 0.00 C ATOM 734 NE ARG A 179 11.062 3.615 -14.111 1.00 0.00 N ATOM 735 CZ ARG A 179 10.437 3.344 -15.266 1.00 0.00 C ATOM 736 NH1 ARG A 179 9.317 2.608 -15.264 1.00 0.00 N ATOM 737 NH2 ARG A 179 10.934 3.807 -16.420 1.00 0.00 N ATOM 0 H ARG A 179 14.105 3.086 -11.129 1.00 0.00 H new ATOM 0 HA ARG A 179 12.362 1.850 -9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.405 1.066 -12.070 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.039 1.249 -10.988 1.00 0.00 H new ATOM 0 HG2 ARG A 179 11.570 3.784 -10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.672 3.468 -12.295 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.149 2.160 -12.875 1.00 0.00 H new ATOM 0 HD3 ARG A 179 9.818 3.818 -12.411 1.00 0.00 H new ATOM 0 HE ARG A 179 11.913 4.176 -14.148 1.00 0.00 H new ATOM 0 HH11 ARG A 179 8.941 2.254 -14.384 1.00 0.00 H new ATOM 0 HH12 ARG A 179 8.841 2.401 -16.142 1.00 0.00 H new ATOM 0 HH21 ARG A 179 11.788 4.365 -16.420 1.00 0.00 H new ATOM 0 HH22 ARG A 179 10.459 3.601 -17.299 1.00 0.00 H new ATOM 751 N GLY A 180 13.566 -0.278 -8.842 1.00 0.00 N ATOM 752 CA GLY A 180 14.204 -1.566 -8.630 1.00 0.00 C ATOM 753 C GLY A 180 13.427 -2.401 -7.609 1.00 0.00 C ATOM 754 O GLY A 180 12.549 -1.885 -6.920 1.00 0.00 O ATOM 0 H GLY A 180 13.053 0.082 -8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.265 -2.105 -9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.226 -1.417 -8.281 1.00 0.00 H new ATOM 758 N MET A 181 13.781 -3.676 -7.543 1.00 0.00 N ATOM 759 CA MET A 181 13.128 -4.586 -6.618 1.00 0.00 C ATOM 760 C MET A 181 13.829 -4.581 -5.258 1.00 0.00 C ATOM 761 O MET A 181 15.057 -4.564 -5.189 1.00 0.00 O ATOM 762 CB MET A 181 13.146 -6.002 -7.196 1.00 0.00 C ATOM 763 CG MET A 181 14.572 -6.435 -7.542 1.00 0.00 C ATOM 764 SD MET A 181 14.688 -8.217 -7.538 1.00 0.00 S ATOM 765 CE MET A 181 13.174 -8.628 -8.389 1.00 0.00 C ATOM 0 H MET A 181 14.511 -4.100 -8.115 1.00 0.00 H new ATOM 0 HA MET A 181 12.099 -4.255 -6.477 1.00 0.00 H new ATOM 0 HB2 MET A 181 12.715 -6.698 -6.476 1.00 0.00 H new ATOM 0 HB3 MET A 181 12.523 -6.042 -8.090 1.00 0.00 H new ATOM 0 HG2 MET A 181 14.851 -6.047 -8.521 1.00 0.00 H new ATOM 0 HG3 MET A 181 15.273 -6.015 -6.821 1.00 0.00 H new ATOM 0 HE1 MET A 181 13.243 -9.641 -8.787 1.00 0.00 H new ATOM 0 HE2 MET A 181 12.337 -8.568 -7.693 1.00 0.00 H new ATOM 0 HE3 MET A 181 13.015 -7.927 -9.208 1.00 0.00 H new ATOM 775 N ILE A 182 13.018 -4.597 -4.210 1.00 0.00 N ATOM 776 CA ILE A 182 13.545 -4.595 -2.856 1.00 0.00 C ATOM 777 C ILE A 182 12.795 -5.632 -2.020 1.00 0.00 C ATOM 778 O ILE A 182 11.728 -6.099 -2.414 1.00 0.00 O ATOM 779 CB ILE A 182 13.503 -3.183 -2.267 1.00 0.00 C ATOM 780 CG1 ILE A 182 12.100 -2.844 -1.756 1.00 0.00 C ATOM 781 CG2 ILE A 182 14.009 -2.152 -3.277 1.00 0.00 C ATOM 782 CD1 ILE A 182 12.095 -1.503 -1.020 1.00 0.00 C ATOM 0 H ILE A 182 12.000 -4.611 -4.271 1.00 0.00 H new ATOM 0 HA ILE A 182 14.596 -4.885 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 182 14.175 -3.150 -1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 182 11.403 -2.806 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 182 11.752 -3.631 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 182 13.969 -1.157 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 182 15.038 -2.386 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 182 13.382 -2.177 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 182 11.087 -1.285 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 182 12.775 -1.552 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 182 12.420 -0.714 -1.699 1.00 0.00 H new ATOM 794 N PRO A 183 13.398 -5.972 -0.849 1.00 0.00 N ATOM 795 CA PRO A 183 12.798 -6.946 0.048 1.00 0.00 C ATOM 796 C PRO A 183 11.607 -6.344 0.795 1.00 0.00 C ATOM 797 O PRO A 183 11.627 -5.168 1.156 1.00 0.00 O ATOM 798 CB PRO A 183 13.924 -7.375 0.973 1.00 0.00 C ATOM 799 CG PRO A 183 14.987 -6.293 0.866 1.00 0.00 C ATOM 800 CD PRO A 183 14.662 -5.439 -0.348 1.00 0.00 C ATOM 0 HA PRO A 183 12.385 -7.805 -0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.570 -7.474 1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.323 -8.345 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 183 15.003 -5.683 1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 183 15.977 -6.739 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.569 -4.387 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.447 -5.507 -1.101 1.00 0.00 H new ATOM 808 N VAL A 184 10.597 -7.176 1.005 1.00 0.00 N ATOM 809 CA VAL A 184 9.400 -6.739 1.703 1.00 0.00 C ATOM 810 C VAL A 184 9.666 -6.738 3.210 1.00 0.00 C ATOM 811 O VAL A 184 9.166 -5.875 3.930 1.00 0.00 O ATOM 812 CB VAL A 184 8.214 -7.620 1.306 1.00 0.00 C ATOM 813 CG1 VAL A 184 7.006 -7.349 2.205 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.855 -7.425 -0.169 1.00 0.00 C ATOM 0 H VAL A 184 10.583 -8.150 0.704 1.00 0.00 H new ATOM 0 HA VAL A 184 9.141 -5.719 1.418 1.00 0.00 H new ATOM 0 HB VAL A 184 8.508 -8.660 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.176 -7.988 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.269 -7.562 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.711 -6.304 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 184 7.009 -8.063 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.590 -6.382 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.711 -7.691 -0.790 1.00 0.00 H new ATOM 824 N PRO A 185 10.472 -7.740 3.652 1.00 0.00 N ATOM 825 CA PRO A 185 10.810 -7.861 5.061 1.00 0.00 C ATOM 826 C PRO A 185 11.838 -6.806 5.471 1.00 0.00 C ATOM 827 O PRO A 185 11.530 -5.903 6.249 1.00 0.00 O ATOM 828 CB PRO A 185 11.322 -9.284 5.220 1.00 0.00 C ATOM 829 CG PRO A 185 11.690 -9.754 3.822 1.00 0.00 C ATOM 830 CD PRO A 185 11.081 -8.778 2.828 1.00 0.00 C ATOM 0 HA PRO A 185 9.957 -7.682 5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.187 -9.316 5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.559 -9.927 5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.773 -9.793 3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.314 -10.762 3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.840 -8.363 2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.340 -9.267 2.196 1.00 0.00 H new ATOM 838 N TYR A 186 13.038 -6.952 4.930 1.00 0.00 N ATOM 839 CA TYR A 186 14.114 -6.023 5.230 1.00 0.00 C ATOM 840 C TYR A 186 13.588 -4.588 5.321 1.00 0.00 C ATOM 841 O TYR A 186 14.172 -3.753 6.009 1.00 0.00 O ATOM 842 CB TYR A 186 15.095 -6.121 4.060 1.00 0.00 C ATOM 843 CG TYR A 186 16.321 -6.990 4.348 1.00 0.00 C ATOM 844 CD1 TYR A 186 16.176 -8.189 5.015 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.572 -6.574 3.942 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.329 -9.007 5.286 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.727 -7.391 4.213 1.00 0.00 C ATOM 848 CZ TYR A 186 18.548 -8.568 4.871 1.00 0.00 C ATOM 849 OH TYR A 186 19.638 -9.340 5.127 1.00 0.00 O ATOM 0 H TYR A 186 13.289 -7.701 4.285 1.00 0.00 H new ATOM 0 HA TYR A 186 14.578 -6.268 6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.572 -6.525 3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.428 -5.118 3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 186 15.197 -8.514 5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.686 -5.635 3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 186 17.229 -9.948 5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.712 -7.076 3.901 1.00 0.00 H new ATOM 0 HH TYR A 186 19.676 -9.545 6.085 1.00 0.00 H new ATOM 859 N VAL A 187 12.494 -4.347 4.616 1.00 0.00 N ATOM 860 CA VAL A 187 11.884 -3.028 4.607 1.00 0.00 C ATOM 861 C VAL A 187 10.478 -3.118 5.203 1.00 0.00 C ATOM 862 O VAL A 187 9.960 -4.213 5.421 1.00 0.00 O ATOM 863 CB VAL A 187 11.897 -2.454 3.189 1.00 0.00 C ATOM 864 CG1 VAL A 187 13.249 -2.690 2.515 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.757 -3.037 2.351 1.00 0.00 C ATOM 0 H VAL A 187 12.013 -5.043 4.046 1.00 0.00 H new ATOM 0 HA VAL A 187 12.457 -2.338 5.227 1.00 0.00 H new ATOM 0 HB VAL A 187 11.742 -1.377 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 187 13.232 -2.272 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 187 14.034 -2.206 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.446 -3.761 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.789 -2.612 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.867 -4.120 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.802 -2.795 2.817 1.00 0.00 H new ATOM 875 N GLU A 188 9.898 -1.952 5.449 1.00 0.00 N ATOM 876 CA GLU A 188 8.561 -1.885 6.014 1.00 0.00 C ATOM 877 C GLU A 188 7.650 -1.037 5.126 1.00 0.00 C ATOM 878 O GLU A 188 7.954 -0.811 3.955 1.00 0.00 O ATOM 879 CB GLU A 188 8.598 -1.338 7.443 1.00 0.00 C ATOM 880 CG GLU A 188 9.919 -1.689 8.131 1.00 0.00 C ATOM 881 CD GLU A 188 9.780 -1.617 9.653 1.00 0.00 C ATOM 882 OE1 GLU A 188 9.561 -0.492 10.150 1.00 0.00 O ATOM 883 OE2 GLU A 188 9.897 -2.689 10.285 1.00 0.00 O ATOM 0 H GLU A 188 10.330 -1.046 5.267 1.00 0.00 H new ATOM 0 HA GLU A 188 8.154 -2.895 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 188 8.470 -0.256 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.766 -1.748 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 188 10.231 -2.691 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.699 -1.003 7.801 1.00 0.00 H new ATOM 890 N LYS A 189 6.552 -0.589 5.715 1.00 0.00 N ATOM 891 CA LYS A 189 5.594 0.230 4.991 1.00 0.00 C ATOM 892 C LYS A 189 5.365 1.535 5.756 1.00 0.00 C ATOM 893 O LYS A 189 5.109 1.518 6.959 1.00 0.00 O ATOM 894 CB LYS A 189 4.310 -0.558 4.723 1.00 0.00 C ATOM 895 CG LYS A 189 4.518 -1.576 3.599 1.00 0.00 C ATOM 896 CD LYS A 189 4.333 -0.924 2.227 1.00 0.00 C ATOM 897 CE LYS A 189 2.889 -1.067 1.742 1.00 0.00 C ATOM 898 NZ LYS A 189 2.111 0.152 2.061 1.00 0.00 N ATOM 0 H LYS A 189 6.304 -0.777 6.686 1.00 0.00 H new ATOM 0 HA LYS A 189 5.987 0.499 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 189 3.998 -1.073 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.507 0.128 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 189 5.518 -2.003 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 189 3.812 -2.398 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 189 4.599 0.132 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 189 5.009 -1.385 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 189 2.876 -1.242 0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 189 2.426 -1.935 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 1.303 -0.100 2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 2.719 0.831 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 1.763 0.582 1.180 1.00 0.00 H new