USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=7 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+ 165:sc=-0.00453 (180deg=-0.0616) USER MOD Single : A 168 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.13) USER MOD Single : A 171 ASN : amide:sc= -0.0923 K(o=-0.092,f=-3!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0263) USER MOD Single : A 181 MET CE :methyl 157:sc= -5.18! (180deg=-5.99!) USER MOD Single : A 186 TYR OH : rot -74:sc= 1.35 USER MOD Single : A 189 LYS NZ :NH3+ -154:sc= -0.0212 (180deg=-0.307) USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 136 4.930 3.971 -0.174 1.00 0.00 N ATOM 27 CA TYR A 136 6.141 4.379 0.517 1.00 0.00 C ATOM 28 C TYR A 136 6.562 3.331 1.550 1.00 0.00 C ATOM 29 O TYR A 136 5.793 2.999 2.451 1.00 0.00 O ATOM 30 CB TYR A 136 5.796 5.681 1.241 1.00 0.00 C ATOM 31 CG TYR A 136 4.299 5.874 1.495 1.00 0.00 C ATOM 32 CD1 TYR A 136 3.658 5.110 2.448 1.00 0.00 C ATOM 33 CD2 TYR A 136 3.592 6.813 0.772 1.00 0.00 C ATOM 34 CE1 TYR A 136 2.249 5.291 2.687 1.00 0.00 C ATOM 35 CE2 TYR A 136 2.184 6.994 1.011 1.00 0.00 C ATOM 36 CZ TYR A 136 1.582 6.224 1.957 1.00 0.00 C ATOM 37 OH TYR A 136 0.251 6.396 2.184 1.00 0.00 O ATOM 0 HA TYR A 136 6.963 4.499 -0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 136 6.322 5.704 2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 136 6.166 6.521 0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 136 4.212 4.376 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 136 4.095 7.412 0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 136 1.734 4.699 3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.618 7.725 0.452 1.00 0.00 H new ATOM 0 HH TYR A 136 -0.094 7.096 1.591 1.00 0.00 H new ATOM 47 N VAL A 137 7.782 2.841 1.385 1.00 0.00 N ATOM 48 CA VAL A 137 8.314 1.838 2.293 1.00 0.00 C ATOM 49 C VAL A 137 9.689 2.287 2.792 1.00 0.00 C ATOM 50 O VAL A 137 10.256 3.249 2.278 1.00 0.00 O ATOM 51 CB VAL A 137 8.345 0.473 1.603 1.00 0.00 C ATOM 52 CG1 VAL A 137 6.968 -0.193 1.643 1.00 0.00 C ATOM 53 CG2 VAL A 137 8.853 0.596 0.165 1.00 0.00 C ATOM 0 H VAL A 137 8.417 3.119 0.637 1.00 0.00 H new ATOM 0 HA VAL A 137 7.670 1.732 3.166 1.00 0.00 H new ATOM 0 HB VAL A 137 9.041 -0.163 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 137 7.018 -1.162 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.661 -0.333 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 137 6.243 0.440 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 137 8.865 -0.389 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.194 1.257 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 137 9.862 1.008 0.170 1.00 0.00 H new ATOM 63 N ARG A 138 10.185 1.568 3.788 1.00 0.00 N ATOM 64 CA ARG A 138 11.482 1.879 4.363 1.00 0.00 C ATOM 65 C ARG A 138 12.328 0.609 4.486 1.00 0.00 C ATOM 66 O ARG A 138 11.846 -0.490 4.212 1.00 0.00 O ATOM 67 CB ARG A 138 11.333 2.520 5.744 1.00 0.00 C ATOM 68 CG ARG A 138 10.329 1.748 6.602 1.00 0.00 C ATOM 69 CD ARG A 138 9.572 2.688 7.541 1.00 0.00 C ATOM 70 NE ARG A 138 9.233 3.944 6.835 1.00 0.00 N ATOM 71 CZ ARG A 138 9.217 5.151 7.415 1.00 0.00 C ATOM 72 NH1 ARG A 138 9.524 5.275 8.713 1.00 0.00 N ATOM 73 NH2 ARG A 138 8.898 6.236 6.695 1.00 0.00 N ATOM 0 H ARG A 138 9.711 0.770 4.212 1.00 0.00 H new ATOM 0 HA ARG A 138 11.978 2.586 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 138 12.301 2.544 6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 138 11.005 3.554 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.622 1.225 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.851 0.989 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.662 2.205 7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.181 2.907 8.418 1.00 0.00 H new ATOM 0 HE ARG A 138 8.997 3.887 5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 138 9.770 4.450 9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 138 9.512 6.194 9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.668 6.142 5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.886 7.155 7.136 1.00 0.00 H new ATOM 87 N ALA A 139 13.572 0.802 4.897 1.00 0.00 N ATOM 88 CA ALA A 139 14.488 -0.313 5.060 1.00 0.00 C ATOM 89 C ALA A 139 15.220 -0.176 6.396 1.00 0.00 C ATOM 90 O ALA A 139 16.264 0.470 6.473 1.00 0.00 O ATOM 91 CB ALA A 139 15.450 -0.361 3.871 1.00 0.00 C ATOM 0 H ALA A 139 13.967 1.715 5.122 1.00 0.00 H new ATOM 0 HA ALA A 139 13.943 -1.257 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.138 -1.198 3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.883 -0.489 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 139 16.016 0.569 3.823 1.00 0.00 H new ATOM 97 N LEU A 140 14.644 -0.794 7.416 1.00 0.00 N ATOM 98 CA LEU A 140 15.229 -0.749 8.746 1.00 0.00 C ATOM 99 C LEU A 140 16.145 -1.958 8.936 1.00 0.00 C ATOM 100 O LEU A 140 16.501 -2.301 10.063 1.00 0.00 O ATOM 101 CB LEU A 140 14.135 -0.633 9.809 1.00 0.00 C ATOM 102 CG LEU A 140 12.723 -1.022 9.364 1.00 0.00 C ATOM 103 CD1 LEU A 140 12.655 -2.504 8.991 1.00 0.00 C ATOM 104 CD2 LEU A 140 11.690 -0.652 10.430 1.00 0.00 C ATOM 0 H LEU A 140 13.778 -1.329 7.349 1.00 0.00 H new ATOM 0 HA LEU A 140 15.848 0.141 8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.412 -1.259 10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.111 0.396 10.167 1.00 0.00 H new ATOM 0 HG LEU A 140 12.479 -0.452 8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.641 -2.754 8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.347 -2.706 8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 140 12.928 -3.110 9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 140 10.696 -0.939 10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 140 11.920 -1.176 11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 140 11.717 0.424 10.605 1.00 0.00 H new ATOM 116 N PHE A 141 16.500 -2.574 7.818 1.00 0.00 N ATOM 117 CA PHE A 141 17.369 -3.739 7.847 1.00 0.00 C ATOM 118 C PHE A 141 18.572 -3.550 6.921 1.00 0.00 C ATOM 119 O PHE A 141 19.543 -4.301 6.998 1.00 0.00 O ATOM 120 CB PHE A 141 16.541 -4.926 7.353 1.00 0.00 C ATOM 121 CG PHE A 141 16.763 -6.214 8.149 1.00 0.00 C ATOM 122 CD1 PHE A 141 18.025 -6.671 8.365 1.00 0.00 C ATOM 123 CD2 PHE A 141 15.698 -6.902 8.641 1.00 0.00 C ATOM 124 CE1 PHE A 141 18.232 -7.866 9.104 1.00 0.00 C ATOM 125 CE2 PHE A 141 15.904 -8.098 9.380 1.00 0.00 C ATOM 126 CZ PHE A 141 17.167 -8.554 9.595 1.00 0.00 C ATOM 0 H PHE A 141 16.202 -2.288 6.885 1.00 0.00 H new ATOM 0 HA PHE A 141 17.745 -3.898 8.858 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.484 -4.662 7.396 1.00 0.00 H new ATOM 0 HB3 PHE A 141 16.780 -5.112 6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 141 18.871 -6.125 7.974 1.00 0.00 H new ATOM 0 HD2 PHE A 141 14.695 -6.539 8.470 1.00 0.00 H new ATOM 0 HE1 PHE A 141 19.235 -8.228 9.276 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.058 -8.644 9.771 1.00 0.00 H new ATOM 0 HZ PHE A 141 17.324 -9.463 10.156 1.00 0.00 H new ATOM 136 N ASP A 142 18.468 -2.542 6.067 1.00 0.00 N ATOM 137 CA ASP A 142 19.535 -2.245 5.127 1.00 0.00 C ATOM 138 C ASP A 142 19.839 -3.493 4.295 1.00 0.00 C ATOM 139 O ASP A 142 19.533 -4.610 4.711 1.00 0.00 O ATOM 140 CB ASP A 142 20.816 -1.841 5.859 1.00 0.00 C ATOM 141 CG ASP A 142 20.616 -1.361 7.297 1.00 0.00 C ATOM 142 OD1 ASP A 142 20.083 -0.241 7.453 1.00 0.00 O ATOM 143 OD2 ASP A 142 20.999 -2.126 8.208 1.00 0.00 O ATOM 0 H ASP A 142 17.661 -1.921 6.007 1.00 0.00 H new ATOM 0 HA ASP A 142 19.206 -1.422 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.495 -2.693 5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 142 21.306 -1.049 5.292 1.00 0.00 H new ATOM 148 N PHE A 143 20.436 -3.261 3.136 1.00 0.00 N ATOM 149 CA PHE A 143 20.785 -4.353 2.243 1.00 0.00 C ATOM 150 C PHE A 143 21.877 -3.928 1.258 1.00 0.00 C ATOM 151 O PHE A 143 22.929 -4.560 1.182 1.00 0.00 O ATOM 152 CB PHE A 143 19.520 -4.712 1.461 1.00 0.00 C ATOM 153 CG PHE A 143 19.737 -5.773 0.380 1.00 0.00 C ATOM 154 CD1 PHE A 143 20.318 -6.961 0.699 1.00 0.00 C ATOM 155 CD2 PHE A 143 19.348 -5.529 -0.901 1.00 0.00 C ATOM 156 CE1 PHE A 143 20.519 -7.945 -0.304 1.00 0.00 C ATOM 157 CE2 PHE A 143 19.549 -6.514 -1.904 1.00 0.00 C ATOM 158 CZ PHE A 143 20.131 -7.702 -1.584 1.00 0.00 C ATOM 0 H PHE A 143 20.687 -2.333 2.794 1.00 0.00 H new ATOM 0 HA PHE A 143 21.162 -5.199 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 143 18.763 -5.069 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.124 -3.809 0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 143 20.626 -7.155 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 143 18.886 -4.586 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 143 20.981 -8.888 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 143 19.240 -6.320 -2.921 1.00 0.00 H new ATOM 0 HZ PHE A 143 20.284 -8.451 -2.347 1.00 0.00 H new ATOM 245 N ASP A 150 18.515 -4.535 -7.893 1.00 0.00 N ATOM 246 CA ASP A 150 18.173 -4.524 -6.481 1.00 0.00 C ATOM 247 C ASP A 150 18.448 -3.134 -5.904 1.00 0.00 C ATOM 248 O ASP A 150 19.603 -2.733 -5.765 1.00 0.00 O ATOM 249 CB ASP A 150 19.017 -5.535 -5.703 1.00 0.00 C ATOM 250 CG ASP A 150 18.730 -7.002 -6.026 1.00 0.00 C ATOM 251 OD1 ASP A 150 17.547 -7.304 -6.292 1.00 0.00 O ATOM 252 OD2 ASP A 150 19.701 -7.790 -5.999 1.00 0.00 O ATOM 0 HA ASP A 150 17.119 -4.786 -6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 150 20.070 -5.335 -5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 150 18.857 -5.375 -4.637 1.00 0.00 H new ATOM 257 N LEU A 151 17.368 -2.437 -5.584 1.00 0.00 N ATOM 258 CA LEU A 151 17.478 -1.100 -5.026 1.00 0.00 C ATOM 259 C LEU A 151 18.185 -1.176 -3.671 1.00 0.00 C ATOM 260 O LEU A 151 17.676 -1.790 -2.734 1.00 0.00 O ATOM 261 CB LEU A 151 16.104 -0.430 -4.966 1.00 0.00 C ATOM 262 CG LEU A 151 15.921 0.626 -3.874 1.00 0.00 C ATOM 263 CD1 LEU A 151 17.056 1.650 -3.905 1.00 0.00 C ATOM 264 CD2 LEU A 151 14.546 1.290 -3.979 1.00 0.00 C ATOM 0 H LEU A 151 16.412 -2.773 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 151 18.088 -0.466 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 151 15.906 0.036 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 151 15.350 -1.204 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 151 15.965 0.127 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 151 16.901 2.389 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 151 18.008 1.143 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 151 17.070 2.149 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 151 14.441 2.036 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 151 14.448 1.772 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.768 0.535 -3.869 1.00 0.00 H new ATOM 276 N PRO A 152 19.378 -0.524 -3.608 1.00 0.00 N ATOM 277 CA PRO A 152 20.160 -0.512 -2.383 1.00 0.00 C ATOM 278 C PRO A 152 19.548 0.438 -1.352 1.00 0.00 C ATOM 279 O PRO A 152 19.212 1.577 -1.674 1.00 0.00 O ATOM 280 CB PRO A 152 21.558 -0.100 -2.815 1.00 0.00 C ATOM 281 CG PRO A 152 21.399 0.551 -4.179 1.00 0.00 C ATOM 282 CD PRO A 152 20.011 0.213 -4.697 1.00 0.00 C ATOM 0 HA PRO A 152 20.180 -1.482 -1.886 1.00 0.00 H new ATOM 0 HB2 PRO A 152 21.999 0.595 -2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 152 22.220 -0.964 -2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 152 21.526 1.631 -4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 152 22.162 0.187 -4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 152 19.450 1.114 -4.944 1.00 0.00 H new ATOM 0 HD3 PRO A 152 20.063 -0.388 -5.605 1.00 0.00 H new ATOM 290 N PHE A 153 19.423 -0.065 -0.133 1.00 0.00 N ATOM 291 CA PHE A 153 18.857 0.725 0.948 1.00 0.00 C ATOM 292 C PHE A 153 19.580 0.446 2.268 1.00 0.00 C ATOM 293 O PHE A 153 20.168 -0.620 2.443 1.00 0.00 O ATOM 294 CB PHE A 153 17.391 0.309 1.086 1.00 0.00 C ATOM 295 CG PHE A 153 17.169 -1.205 1.071 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.404 -1.937 2.192 1.00 0.00 C ATOM 297 CD2 PHE A 153 16.737 -1.818 -0.063 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.198 -3.342 2.178 1.00 0.00 C ATOM 299 CE2 PHE A 153 16.531 -3.222 -0.077 1.00 0.00 C ATOM 300 CZ PHE A 153 16.766 -3.955 1.044 1.00 0.00 C ATOM 0 H PHE A 153 19.704 -1.010 0.131 1.00 0.00 H new ATOM 0 HA PHE A 153 18.960 1.787 0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 153 16.995 0.715 2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 153 16.819 0.758 0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 153 17.747 -1.450 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 153 16.551 -1.236 -0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 153 17.385 -3.924 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 153 16.188 -3.708 -0.978 1.00 0.00 H new ATOM 0 HZ PHE A 153 16.610 -5.024 1.033 1.00 0.00 H new ATOM 310 N LYS A 154 19.512 1.423 3.160 1.00 0.00 N ATOM 311 CA LYS A 154 20.152 1.295 4.458 1.00 0.00 C ATOM 312 C LYS A 154 19.621 2.383 5.393 1.00 0.00 C ATOM 313 O LYS A 154 19.310 3.488 4.952 1.00 0.00 O ATOM 314 CB LYS A 154 21.675 1.304 4.307 1.00 0.00 C ATOM 315 CG LYS A 154 22.360 1.016 5.644 1.00 0.00 C ATOM 316 CD LYS A 154 23.321 2.146 6.023 1.00 0.00 C ATOM 317 CE LYS A 154 24.689 1.590 6.424 1.00 0.00 C ATOM 318 NZ LYS A 154 25.237 2.343 7.574 1.00 0.00 N ATOM 0 H LYS A 154 19.024 2.306 3.010 1.00 0.00 H new ATOM 0 HA LYS A 154 19.905 0.335 4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 154 21.976 0.557 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 154 22.001 2.273 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 154 21.608 0.897 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 154 22.906 0.075 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 154 23.435 2.829 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 154 22.903 2.723 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 154 24.598 0.535 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 154 25.376 1.653 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 26.166 1.953 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 25.342 3.345 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 24.589 2.261 8.383 1.00 0.00 H new ATOM 332 N LYS A 155 19.533 2.032 6.668 1.00 0.00 N ATOM 333 CA LYS A 155 19.043 2.964 7.669 1.00 0.00 C ATOM 334 C LYS A 155 17.604 3.359 7.332 1.00 0.00 C ATOM 335 O LYS A 155 17.362 4.442 6.802 1.00 0.00 O ATOM 336 CB LYS A 155 19.993 4.156 7.801 1.00 0.00 C ATOM 337 CG LYS A 155 21.063 3.890 8.862 1.00 0.00 C ATOM 338 CD LYS A 155 20.528 4.187 10.265 1.00 0.00 C ATOM 339 CE LYS A 155 19.830 2.960 10.856 1.00 0.00 C ATOM 340 NZ LYS A 155 20.087 2.870 12.311 1.00 0.00 N ATOM 0 H LYS A 155 19.793 1.115 7.030 1.00 0.00 H new ATOM 0 HA LYS A 155 19.022 2.492 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 155 20.469 4.354 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 155 19.427 5.049 8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 155 21.387 2.851 8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 155 21.939 4.508 8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 155 21.349 4.491 10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 155 19.829 5.022 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 155 18.757 3.021 10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 155 20.187 2.057 10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 19.607 2.032 12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 21.110 2.790 12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 19.725 3.724 12.781 1.00 0.00 H new ATOM 354 N GLY A 156 16.687 2.460 7.654 1.00 0.00 N ATOM 355 CA GLY A 156 15.278 2.700 7.392 1.00 0.00 C ATOM 356 C GLY A 156 15.091 3.523 6.116 1.00 0.00 C ATOM 357 O GLY A 156 14.333 4.493 6.104 1.00 0.00 O ATOM 0 H GLY A 156 16.892 1.563 8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 156 14.755 1.749 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 156 14.831 3.225 8.236 1.00 0.00 H new ATOM 361 N ASP A 157 15.794 3.108 5.073 1.00 0.00 N ATOM 362 CA ASP A 157 15.714 3.794 3.795 1.00 0.00 C ATOM 363 C ASP A 157 14.263 4.201 3.529 1.00 0.00 C ATOM 364 O ASP A 157 13.341 3.662 4.139 1.00 0.00 O ATOM 365 CB ASP A 157 16.167 2.884 2.652 1.00 0.00 C ATOM 366 CG ASP A 157 16.235 3.556 1.278 1.00 0.00 C ATOM 367 OD1 ASP A 157 16.372 4.798 1.260 1.00 0.00 O ATOM 368 OD2 ASP A 157 16.147 2.811 0.278 1.00 0.00 O ATOM 0 H ASP A 157 16.422 2.305 5.087 1.00 0.00 H new ATOM 0 HA ASP A 157 16.365 4.667 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 157 17.152 2.485 2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 157 15.486 2.035 2.591 1.00 0.00 H new ATOM 373 N ILE A 158 14.107 5.149 2.617 1.00 0.00 N ATOM 374 CA ILE A 158 12.783 5.634 2.261 1.00 0.00 C ATOM 375 C ILE A 158 12.600 5.540 0.746 1.00 0.00 C ATOM 376 O ILE A 158 13.309 6.202 -0.012 1.00 0.00 O ATOM 377 CB ILE A 158 12.560 7.040 2.823 1.00 0.00 C ATOM 378 CG1 ILE A 158 11.987 6.981 4.239 1.00 0.00 C ATOM 379 CG2 ILE A 158 11.684 7.873 1.884 1.00 0.00 C ATOM 380 CD1 ILE A 158 10.579 6.383 4.237 1.00 0.00 C ATOM 0 H ILE A 158 14.874 5.594 2.114 1.00 0.00 H new ATOM 0 HA ILE A 158 12.013 5.009 2.713 1.00 0.00 H new ATOM 0 HB ILE A 158 13.527 7.538 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 158 12.639 6.382 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 158 11.959 7.984 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 158 11.541 8.867 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 158 12.171 7.958 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 158 10.716 7.387 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 158 10.195 6.353 5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 158 9.923 6.998 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 158 10.614 5.372 3.832 1.00 0.00 H new ATOM 392 N LEU A 159 11.645 4.713 0.348 1.00 0.00 N ATOM 393 CA LEU A 159 11.359 4.524 -1.065 1.00 0.00 C ATOM 394 C LEU A 159 9.844 4.483 -1.273 1.00 0.00 C ATOM 395 O LEU A 159 9.079 4.674 -0.330 1.00 0.00 O ATOM 396 CB LEU A 159 12.088 3.289 -1.598 1.00 0.00 C ATOM 397 CG LEU A 159 13.437 2.973 -0.950 1.00 0.00 C ATOM 398 CD1 LEU A 159 13.522 1.499 -0.552 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.594 3.389 -1.860 1.00 0.00 C ATOM 0 H LEU A 159 11.059 4.166 0.979 1.00 0.00 H new ATOM 0 HA LEU A 159 11.738 5.364 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.436 2.425 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.244 3.418 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 159 13.521 3.559 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 159 14.491 1.301 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 159 12.730 1.268 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 159 13.406 0.875 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 159 15.541 3.153 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 159 14.526 2.850 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.541 4.461 -2.050 1.00 0.00 H new ATOM 411 N ARG A 160 9.456 4.232 -2.515 1.00 0.00 N ATOM 412 CA ARG A 160 8.047 4.163 -2.859 1.00 0.00 C ATOM 413 C ARG A 160 7.762 2.904 -3.682 1.00 0.00 C ATOM 414 O ARG A 160 8.613 2.452 -4.447 1.00 0.00 O ATOM 415 CB ARG A 160 7.613 5.394 -3.657 1.00 0.00 C ATOM 416 CG ARG A 160 8.580 5.667 -4.811 1.00 0.00 C ATOM 417 CD ARG A 160 8.051 6.780 -5.718 1.00 0.00 C ATOM 418 NE ARG A 160 8.781 8.040 -5.453 1.00 0.00 N ATOM 419 CZ ARG A 160 8.297 9.260 -5.722 1.00 0.00 C ATOM 420 NH1 ARG A 160 7.080 9.393 -6.265 1.00 0.00 N ATOM 421 NH2 ARG A 160 9.031 10.347 -5.448 1.00 0.00 N ATOM 0 H ARG A 160 10.094 4.074 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 160 7.481 4.129 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.607 5.242 -4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.571 6.262 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 160 9.555 5.949 -4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 160 8.724 4.757 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 160 8.169 6.495 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.985 6.925 -5.545 1.00 0.00 H new ATOM 0 HE ARG A 160 9.711 7.975 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 160 6.521 8.565 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 160 6.712 10.322 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 160 9.958 10.246 -5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 160 8.663 11.276 -5.653 1.00 0.00 H new ATOM 435 N ILE A 161 6.561 2.374 -3.497 1.00 0.00 N ATOM 436 CA ILE A 161 6.154 1.177 -4.212 1.00 0.00 C ATOM 437 C ILE A 161 5.551 1.574 -5.561 1.00 0.00 C ATOM 438 O ILE A 161 4.530 2.259 -5.611 1.00 0.00 O ATOM 439 CB ILE A 161 5.222 0.327 -3.348 1.00 0.00 C ATOM 440 CG1 ILE A 161 5.933 -0.932 -2.846 1.00 0.00 C ATOM 441 CG2 ILE A 161 3.930 -0.005 -4.097 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.315 -0.593 -2.285 1.00 0.00 C ATOM 0 H ILE A 161 5.858 2.752 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 161 7.018 0.547 -4.422 1.00 0.00 H new ATOM 0 HB ILE A 161 4.945 0.911 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.331 -1.411 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 161 6.033 -1.648 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.285 -0.610 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.415 0.919 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.168 -0.560 -5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 161 7.799 -1.505 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 161 7.923 -0.136 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 161 7.209 0.104 -1.454 1.00 0.00 H new ATOM 454 N ARG A 162 6.207 1.127 -6.621 1.00 0.00 N ATOM 455 CA ARG A 162 5.747 1.427 -7.967 1.00 0.00 C ATOM 456 C ARG A 162 5.055 0.207 -8.577 1.00 0.00 C ATOM 457 O ARG A 162 3.962 0.320 -9.128 1.00 0.00 O ATOM 458 CB ARG A 162 6.913 1.846 -8.866 1.00 0.00 C ATOM 459 CG ARG A 162 6.452 2.024 -10.314 1.00 0.00 C ATOM 460 CD ARG A 162 7.417 1.343 -11.285 1.00 0.00 C ATOM 461 NE ARG A 162 7.239 1.892 -12.647 1.00 0.00 N ATOM 462 CZ ARG A 162 7.745 1.335 -13.756 1.00 0.00 C ATOM 463 NH1 ARG A 162 8.464 0.207 -13.669 1.00 0.00 N ATOM 464 NH2 ARG A 162 7.531 1.904 -14.949 1.00 0.00 N ATOM 0 H ARG A 162 7.053 0.559 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 162 5.039 2.253 -7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.342 2.779 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.700 1.093 -8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 162 5.453 1.605 -10.435 1.00 0.00 H new ATOM 0 HG3 ARG A 162 6.383 3.086 -10.549 1.00 0.00 H new ATOM 0 HD2 ARG A 162 8.445 1.495 -10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.240 0.268 -11.292 1.00 0.00 H new ATOM 0 HE ARG A 162 6.696 2.750 -12.749 1.00 0.00 H new ATOM 0 HH11 ARG A 162 8.625 -0.226 -12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 162 8.850 -0.218 -14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 162 6.983 2.762 -15.014 1.00 0.00 H new ATOM 0 HH22 ARG A 162 7.916 1.480 -15.793 1.00 0.00 H new ATOM 478 N ASP A 163 5.721 -0.933 -8.457 1.00 0.00 N ATOM 479 CA ASP A 163 5.184 -2.173 -8.989 1.00 0.00 C ATOM 480 C ASP A 163 5.611 -3.336 -8.092 1.00 0.00 C ATOM 481 O ASP A 163 6.510 -3.189 -7.264 1.00 0.00 O ATOM 482 CB ASP A 163 5.715 -2.444 -10.398 1.00 0.00 C ATOM 483 CG ASP A 163 4.697 -3.048 -11.367 1.00 0.00 C ATOM 484 OD1 ASP A 163 3.507 -2.689 -11.239 1.00 0.00 O ATOM 485 OD2 ASP A 163 5.132 -3.858 -12.215 1.00 0.00 O ATOM 0 H ASP A 163 6.628 -1.023 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 163 4.098 -2.082 -9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 163 6.083 -1.508 -10.818 1.00 0.00 H new ATOM 0 HB3 ASP A 163 6.569 -3.118 -10.325 1.00 0.00 H new ATOM 490 N LYS A 164 4.947 -4.465 -8.285 1.00 0.00 N ATOM 491 CA LYS A 164 5.247 -5.654 -7.502 1.00 0.00 C ATOM 492 C LYS A 164 4.950 -6.899 -8.341 1.00 0.00 C ATOM 493 O LYS A 164 3.791 -7.276 -8.510 1.00 0.00 O ATOM 494 CB LYS A 164 4.501 -5.619 -6.167 1.00 0.00 C ATOM 495 CG LYS A 164 3.049 -5.178 -6.362 1.00 0.00 C ATOM 496 CD LYS A 164 2.300 -5.149 -5.028 1.00 0.00 C ATOM 497 CE LYS A 164 0.966 -5.891 -5.131 1.00 0.00 C ATOM 498 NZ LYS A 164 1.193 -7.349 -5.258 1.00 0.00 N ATOM 0 H LYS A 164 4.202 -4.583 -8.972 1.00 0.00 H new ATOM 0 HA LYS A 164 6.306 -5.686 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 164 4.526 -6.607 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 164 5.004 -4.935 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 164 3.024 -4.189 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 164 2.548 -5.859 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 164 2.915 -5.605 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 164 2.123 -4.116 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 164 0.360 -5.687 -4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 164 0.406 -5.527 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 0.304 -7.856 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 1.522 -7.567 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 1.913 -7.650 -4.570 1.00 0.00 H new ATOM 512 N PRO A 165 6.045 -7.520 -8.855 1.00 0.00 N ATOM 513 CA PRO A 165 5.914 -8.715 -9.671 1.00 0.00 C ATOM 514 C PRO A 165 5.586 -9.934 -8.807 1.00 0.00 C ATOM 515 O PRO A 165 4.568 -10.593 -9.018 1.00 0.00 O ATOM 516 CB PRO A 165 7.242 -8.843 -10.399 1.00 0.00 C ATOM 517 CG PRO A 165 8.228 -7.988 -9.620 1.00 0.00 C ATOM 518 CD PRO A 165 7.432 -7.101 -8.675 1.00 0.00 C ATOM 0 HA PRO A 165 5.091 -8.651 -10.382 1.00 0.00 H new ATOM 0 HB2 PRO A 165 7.569 -9.882 -10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 165 7.157 -8.500 -11.430 1.00 0.00 H new ATOM 0 HG2 PRO A 165 8.920 -8.617 -9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 165 8.827 -7.381 -10.299 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.755 -7.232 -7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 165 7.562 -6.046 -8.918 1.00 0.00 H new ATOM 526 N GLU A 166 6.466 -10.199 -7.854 1.00 0.00 N ATOM 527 CA GLU A 166 6.284 -11.328 -6.959 1.00 0.00 C ATOM 528 C GLU A 166 5.885 -10.841 -5.564 1.00 0.00 C ATOM 529 O GLU A 166 5.642 -9.651 -5.364 1.00 0.00 O ATOM 530 CB GLU A 166 7.546 -12.190 -6.897 1.00 0.00 C ATOM 531 CG GLU A 166 8.141 -12.391 -8.293 1.00 0.00 C ATOM 532 CD GLU A 166 9.341 -11.468 -8.515 1.00 0.00 C ATOM 533 OE1 GLU A 166 10.105 -11.287 -7.542 1.00 0.00 O ATOM 534 OE2 GLU A 166 9.467 -10.964 -9.652 1.00 0.00 O ATOM 0 H GLU A 166 7.308 -9.650 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 166 5.479 -11.949 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.283 -11.716 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.308 -13.158 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 166 8.449 -13.429 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 166 7.381 -12.193 -9.048 1.00 0.00 H new ATOM 541 N GLU A 167 5.830 -11.783 -4.635 1.00 0.00 N ATOM 542 CA GLU A 167 5.465 -11.464 -3.266 1.00 0.00 C ATOM 543 C GLU A 167 6.694 -11.541 -2.357 1.00 0.00 C ATOM 544 O GLU A 167 6.564 -11.638 -1.138 1.00 0.00 O ATOM 545 CB GLU A 167 4.354 -12.389 -2.764 1.00 0.00 C ATOM 546 CG GLU A 167 4.860 -13.826 -2.620 1.00 0.00 C ATOM 547 CD GLU A 167 3.701 -14.823 -2.666 1.00 0.00 C ATOM 548 OE1 GLU A 167 2.645 -14.492 -2.084 1.00 0.00 O ATOM 549 OE2 GLU A 167 3.897 -15.893 -3.281 1.00 0.00 O ATOM 0 H GLU A 167 6.032 -12.768 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 167 5.082 -10.444 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 167 3.985 -12.032 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 167 3.513 -12.363 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 167 5.567 -14.048 -3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 167 5.399 -13.933 -1.679 1.00 0.00 H new ATOM 556 N GLN A 168 7.859 -11.496 -2.987 1.00 0.00 N ATOM 557 CA GLN A 168 9.111 -11.559 -2.250 1.00 0.00 C ATOM 558 C GLN A 168 9.872 -10.239 -2.384 1.00 0.00 C ATOM 559 O GLN A 168 10.327 -9.677 -1.388 1.00 0.00 O ATOM 560 CB GLN A 168 9.966 -12.736 -2.723 1.00 0.00 C ATOM 561 CG GLN A 168 9.492 -14.047 -2.091 1.00 0.00 C ATOM 562 CD GLN A 168 10.323 -14.390 -0.852 1.00 0.00 C ATOM 563 OE1 GLN A 168 11.541 -14.442 -0.885 1.00 0.00 O ATOM 564 NE2 GLN A 168 9.597 -14.619 0.238 1.00 0.00 N ATOM 0 H GLN A 168 7.963 -11.417 -3.999 1.00 0.00 H new ATOM 0 HA GLN A 168 8.883 -11.719 -1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 168 9.916 -12.813 -3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 168 11.010 -12.559 -2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.440 -13.963 -1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 168 9.568 -14.854 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 168 8.580 -14.558 0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.057 -14.855 1.117 1.00 0.00 H new ATOM 573 N TRP A 169 9.988 -9.782 -3.622 1.00 0.00 N ATOM 574 CA TRP A 169 10.687 -8.539 -3.898 1.00 0.00 C ATOM 575 C TRP A 169 9.695 -7.572 -4.548 1.00 0.00 C ATOM 576 O TRP A 169 8.906 -7.970 -5.404 1.00 0.00 O ATOM 577 CB TRP A 169 11.928 -8.788 -4.758 1.00 0.00 C ATOM 578 CG TRP A 169 13.068 -9.488 -4.017 1.00 0.00 C ATOM 579 CD1 TRP A 169 13.146 -10.774 -3.650 1.00 0.00 C ATOM 580 CD2 TRP A 169 14.299 -8.884 -3.564 1.00 0.00 C ATOM 581 NE1 TRP A 169 14.332 -11.043 -2.997 1.00 0.00 N ATOM 582 CE2 TRP A 169 15.055 -9.857 -2.943 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.758 -7.559 -3.677 1.00 0.00 C ATOM 584 CZ2 TRP A 169 16.315 -9.609 -2.385 1.00 0.00 C ATOM 585 CZ3 TRP A 169 16.018 -7.329 -3.114 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.792 -8.296 -2.484 1.00 0.00 C ATOM 0 H TRP A 169 9.610 -10.250 -4.445 1.00 0.00 H new ATOM 0 HA TRP A 169 11.056 -8.091 -2.975 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.645 -9.391 -5.621 1.00 0.00 H new ATOM 0 HB3 TRP A 169 12.289 -7.834 -5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 169 12.377 -11.508 -3.841 1.00 0.00 H new ATOM 0 HE1 TRP A 169 14.624 -11.946 -2.623 1.00 0.00 H new ATOM 0 HE3 TRP A 169 14.184 -6.782 -4.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 16.888 -10.388 -1.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 16.418 -6.328 -3.173 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.756 -8.036 -2.073 1.00 0.00 H new ATOM 597 N TRP A 170 9.765 -6.323 -4.115 1.00 0.00 N ATOM 598 CA TRP A 170 8.882 -5.297 -4.643 1.00 0.00 C ATOM 599 C TRP A 170 9.740 -4.273 -5.390 1.00 0.00 C ATOM 600 O TRP A 170 10.868 -3.990 -4.986 1.00 0.00 O ATOM 601 CB TRP A 170 8.040 -4.671 -3.530 1.00 0.00 C ATOM 602 CG TRP A 170 6.933 -5.586 -2.999 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.581 -6.800 -3.444 1.00 0.00 C ATOM 604 CD2 TRP A 170 6.044 -5.308 -1.897 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.535 -7.324 -2.713 1.00 0.00 N ATOM 606 CE2 TRP A 170 5.197 -6.387 -1.742 1.00 0.00 C ATOM 607 CE3 TRP A 170 5.955 -4.183 -1.059 1.00 0.00 C ATOM 608 CZ2 TRP A 170 4.202 -6.446 -0.759 1.00 0.00 C ATOM 609 CZ3 TRP A 170 4.957 -4.257 -0.081 1.00 0.00 C ATOM 610 CH2 TRP A 170 4.097 -5.336 0.088 1.00 0.00 C ATOM 0 H TRP A 170 10.420 -5.997 -3.404 1.00 0.00 H new ATOM 0 HA TRP A 170 8.166 -5.728 -5.342 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.695 -4.394 -2.704 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.590 -3.751 -3.902 1.00 0.00 H new ATOM 0 HD1 TRP A 170 7.057 -7.305 -4.272 1.00 0.00 H new ATOM 0 HE1 TRP A 170 5.091 -8.231 -2.858 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.606 -3.328 -1.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.550 -7.302 -0.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 4.847 -3.417 0.589 1.00 0.00 H new ATOM 0 HH2 TRP A 170 3.351 -5.318 0.869 1.00 0.00 H new ATOM 621 N ASN A 171 9.174 -3.745 -6.464 1.00 0.00 N ATOM 622 CA ASN A 171 9.872 -2.758 -7.271 1.00 0.00 C ATOM 623 C ASN A 171 9.476 -1.355 -6.808 1.00 0.00 C ATOM 624 O ASN A 171 8.459 -0.817 -7.243 1.00 0.00 O ATOM 625 CB ASN A 171 9.501 -2.891 -8.749 1.00 0.00 C ATOM 626 CG ASN A 171 10.206 -1.826 -9.590 1.00 0.00 C ATOM 627 OD1 ASN A 171 9.682 -0.756 -9.851 1.00 0.00 O ATOM 628 ND2 ASN A 171 11.422 -2.178 -9.999 1.00 0.00 N ATOM 0 H ASN A 171 8.239 -3.982 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 171 10.943 -2.923 -7.153 1.00 0.00 H new ATOM 0 HB2 ASN A 171 9.775 -3.883 -9.108 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.422 -2.796 -8.866 1.00 0.00 H new ATOM 0 HD21 ASN A 171 11.975 -1.536 -10.567 1.00 0.00 H new ATOM 0 HD22 ASN A 171 11.801 -3.090 -9.745 1.00 0.00 H new ATOM 635 N ALA A 172 10.302 -0.801 -5.932 1.00 0.00 N ATOM 636 CA ALA A 172 10.051 0.529 -5.405 1.00 0.00 C ATOM 637 C ALA A 172 11.051 1.513 -6.017 1.00 0.00 C ATOM 638 O ALA A 172 12.068 1.103 -6.574 1.00 0.00 O ATOM 639 CB ALA A 172 10.126 0.498 -3.877 1.00 0.00 C ATOM 0 H ALA A 172 11.145 -1.249 -5.574 1.00 0.00 H new ATOM 0 HA ALA A 172 9.050 0.864 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 172 9.937 1.497 -3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.376 -0.192 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 172 11.118 0.167 -3.568 1.00 0.00 H new ATOM 645 N GLU A 173 10.726 2.791 -5.893 1.00 0.00 N ATOM 646 CA GLU A 173 11.584 3.836 -6.428 1.00 0.00 C ATOM 647 C GLU A 173 12.277 4.588 -5.289 1.00 0.00 C ATOM 648 O GLU A 173 11.671 4.841 -4.249 1.00 0.00 O ATOM 649 CB GLU A 173 10.789 4.796 -7.314 1.00 0.00 C ATOM 650 CG GLU A 173 11.207 4.662 -8.781 1.00 0.00 C ATOM 651 CD GLU A 173 10.730 5.862 -9.600 1.00 0.00 C ATOM 652 OE1 GLU A 173 10.585 6.945 -8.990 1.00 0.00 O ATOM 653 OE2 GLU A 173 10.521 5.672 -10.817 1.00 0.00 O ATOM 0 H GLU A 173 9.881 3.127 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 173 12.349 3.370 -7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.723 4.589 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 173 10.947 5.821 -6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.292 4.580 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 173 10.792 3.745 -9.198 1.00 0.00 H new ATOM 660 N ASP A 174 13.537 4.922 -5.524 1.00 0.00 N ATOM 661 CA ASP A 174 14.319 5.640 -4.532 1.00 0.00 C ATOM 662 C ASP A 174 14.036 7.138 -4.651 1.00 0.00 C ATOM 663 O ASP A 174 13.482 7.590 -5.652 1.00 0.00 O ATOM 664 CB ASP A 174 15.818 5.423 -4.750 1.00 0.00 C ATOM 665 CG ASP A 174 16.685 5.604 -3.504 1.00 0.00 C ATOM 666 OD1 ASP A 174 16.805 4.616 -2.747 1.00 0.00 O ATOM 667 OD2 ASP A 174 17.210 6.726 -3.334 1.00 0.00 O ATOM 0 H ASP A 174 14.036 4.709 -6.387 1.00 0.00 H new ATOM 0 HA ASP A 174 14.040 5.265 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 174 15.971 4.416 -5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.162 6.116 -5.518 1.00 0.00 H new ATOM 672 N SER A 175 14.429 7.866 -3.617 1.00 0.00 N ATOM 673 CA SER A 175 14.224 9.304 -3.593 1.00 0.00 C ATOM 674 C SER A 175 14.774 9.932 -4.876 1.00 0.00 C ATOM 675 O SER A 175 14.380 11.038 -5.249 1.00 0.00 O ATOM 676 CB SER A 175 14.888 9.935 -2.367 1.00 0.00 C ATOM 677 OG SER A 175 16.304 9.775 -2.385 1.00 0.00 O ATOM 0 H SER A 175 14.889 7.487 -2.789 1.00 0.00 H new ATOM 0 HA SER A 175 13.153 9.496 -3.532 1.00 0.00 H new ATOM 0 HB2 SER A 175 14.644 10.997 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 175 14.483 9.482 -1.462 1.00 0.00 H new ATOM 0 HG SER A 175 16.691 10.192 -1.587 1.00 0.00 H new ATOM 683 N GLU A 176 15.673 9.201 -5.517 1.00 0.00 N ATOM 684 CA GLU A 176 16.280 9.672 -6.750 1.00 0.00 C ATOM 685 C GLU A 176 15.346 9.413 -7.934 1.00 0.00 C ATOM 686 O GLU A 176 15.382 10.137 -8.928 1.00 0.00 O ATOM 687 CB GLU A 176 17.645 9.018 -6.975 1.00 0.00 C ATOM 688 CG GLU A 176 18.616 9.374 -5.848 1.00 0.00 C ATOM 689 CD GLU A 176 19.173 10.788 -6.029 1.00 0.00 C ATOM 690 OE1 GLU A 176 18.342 11.715 -6.142 1.00 0.00 O ATOM 691 OE2 GLU A 176 20.416 10.908 -6.051 1.00 0.00 O ATOM 0 H GLU A 176 15.996 8.285 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 176 16.439 10.747 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.529 7.936 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.056 9.345 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 176 18.106 9.301 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 176 19.436 8.656 -5.829 1.00 0.00 H new ATOM 698 N GLY A 177 14.532 8.379 -7.789 1.00 0.00 N ATOM 699 CA GLY A 177 13.590 8.015 -8.834 1.00 0.00 C ATOM 700 C GLY A 177 14.067 6.776 -9.595 1.00 0.00 C ATOM 701 O GLY A 177 13.809 6.640 -10.790 1.00 0.00 O ATOM 0 H GLY A 177 14.505 7.781 -6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 177 12.611 7.822 -8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 177 13.470 8.848 -9.527 1.00 0.00 H new ATOM 705 N LYS A 178 14.756 5.905 -8.873 1.00 0.00 N ATOM 706 CA LYS A 178 15.271 4.683 -9.466 1.00 0.00 C ATOM 707 C LYS A 178 14.387 3.506 -9.049 1.00 0.00 C ATOM 708 O LYS A 178 14.262 3.208 -7.862 1.00 0.00 O ATOM 709 CB LYS A 178 16.748 4.497 -9.111 1.00 0.00 C ATOM 710 CG LYS A 178 17.111 5.278 -7.846 1.00 0.00 C ATOM 711 CD LYS A 178 18.609 5.176 -7.549 1.00 0.00 C ATOM 712 CE LYS A 178 18.851 4.708 -6.112 1.00 0.00 C ATOM 713 NZ LYS A 178 19.713 5.672 -5.393 1.00 0.00 N ATOM 0 H LYS A 178 14.970 6.021 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 178 15.232 4.742 -10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 178 16.959 3.438 -8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.370 4.832 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 178 16.831 6.324 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 178 16.542 4.892 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 178 19.075 4.479 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 178 19.081 6.146 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 178 17.899 4.604 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 178 19.321 3.724 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 19.951 5.292 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 20.587 5.828 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 19.208 6.574 -5.283 1.00 0.00 H new ATOM 727 N ARG A 179 13.795 2.869 -10.049 1.00 0.00 N ATOM 728 CA ARG A 179 12.926 1.732 -9.801 1.00 0.00 C ATOM 729 C ARG A 179 13.746 0.441 -9.733 1.00 0.00 C ATOM 730 O ARG A 179 14.350 0.032 -10.722 1.00 0.00 O ATOM 731 CB ARG A 179 11.869 1.597 -10.899 1.00 0.00 C ATOM 732 CG ARG A 179 11.689 2.917 -11.651 1.00 0.00 C ATOM 733 CD ARG A 179 10.353 2.947 -12.397 1.00 0.00 C ATOM 734 NE ARG A 179 9.339 3.663 -11.592 1.00 0.00 N ATOM 735 CZ ARG A 179 8.309 4.344 -12.114 1.00 0.00 C ATOM 736 NH1 ARG A 179 8.152 4.404 -13.443 1.00 0.00 N ATOM 737 NH2 ARG A 179 7.438 4.963 -11.307 1.00 0.00 N ATOM 0 H ARG A 179 13.900 3.119 -11.032 1.00 0.00 H new ATOM 0 HA ARG A 179 12.425 1.900 -8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.163 0.813 -11.597 1.00 0.00 H new ATOM 0 HB3 ARG A 179 10.919 1.292 -10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 179 11.736 3.749 -10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.507 3.051 -12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.477 3.439 -13.362 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.017 1.930 -12.599 1.00 0.00 H new ATOM 0 HE ARG A 179 9.429 3.637 -10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 179 8.816 3.932 -14.057 1.00 0.00 H new ATOM 0 HH12 ARG A 179 7.369 4.922 -13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 179 7.558 4.916 -10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 179 6.654 5.481 -11.704 1.00 0.00 H new ATOM 751 N GLY A 180 13.741 -0.163 -8.553 1.00 0.00 N ATOM 752 CA GLY A 180 14.476 -1.398 -8.342 1.00 0.00 C ATOM 753 C GLY A 180 13.716 -2.335 -7.402 1.00 0.00 C ATOM 754 O GLY A 180 12.787 -1.913 -6.716 1.00 0.00 O ATOM 0 H GLY A 180 13.240 0.180 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.643 -1.894 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.457 -1.174 -7.923 1.00 0.00 H new ATOM 758 N MET A 181 14.140 -3.590 -7.399 1.00 0.00 N ATOM 759 CA MET A 181 13.511 -4.591 -6.554 1.00 0.00 C ATOM 760 C MET A 181 14.143 -4.608 -5.161 1.00 0.00 C ATOM 761 O MET A 181 15.363 -4.527 -5.028 1.00 0.00 O ATOM 762 CB MET A 181 13.659 -5.971 -7.200 1.00 0.00 C ATOM 763 CG MET A 181 13.224 -5.940 -8.667 1.00 0.00 C ATOM 764 SD MET A 181 11.790 -6.975 -8.901 1.00 0.00 S ATOM 765 CE MET A 181 10.698 -6.274 -7.675 1.00 0.00 C ATOM 0 H MET A 181 14.912 -3.937 -7.969 1.00 0.00 H new ATOM 0 HA MET A 181 12.455 -4.340 -6.450 1.00 0.00 H new ATOM 0 HB2 MET A 181 14.696 -6.299 -7.132 1.00 0.00 H new ATOM 0 HB3 MET A 181 13.058 -6.698 -6.654 1.00 0.00 H new ATOM 0 HG2 MET A 181 12.997 -4.917 -8.966 1.00 0.00 H new ATOM 0 HG3 MET A 181 14.039 -6.284 -9.304 1.00 0.00 H new ATOM 0 HE1 MET A 181 9.664 -6.496 -7.939 1.00 0.00 H new ATOM 0 HE2 MET A 181 10.923 -6.703 -6.699 1.00 0.00 H new ATOM 0 HE3 MET A 181 10.839 -5.194 -7.637 1.00 0.00 H new ATOM 775 N ILE A 182 13.284 -4.715 -4.159 1.00 0.00 N ATOM 776 CA ILE A 182 13.742 -4.744 -2.780 1.00 0.00 C ATOM 777 C ILE A 182 12.936 -5.784 -2.000 1.00 0.00 C ATOM 778 O ILE A 182 11.837 -6.155 -2.407 1.00 0.00 O ATOM 779 CB ILE A 182 13.692 -3.342 -2.168 1.00 0.00 C ATOM 780 CG1 ILE A 182 12.246 -2.879 -1.979 1.00 0.00 C ATOM 781 CG2 ILE A 182 14.507 -2.350 -3.001 1.00 0.00 C ATOM 782 CD1 ILE A 182 12.193 -1.533 -1.252 1.00 0.00 C ATOM 0 H ILE A 182 12.273 -4.783 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 182 14.787 -5.050 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 182 14.150 -3.384 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 182 11.758 -2.792 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 182 11.692 -3.626 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 182 14.455 -1.362 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 182 15.546 -2.676 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 182 14.102 -2.304 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 182 11.154 -1.226 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 182 12.660 -1.630 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 182 12.727 -0.783 -1.836 1.00 0.00 H new ATOM 794 N PRO A 183 13.531 -6.238 -0.864 1.00 0.00 N ATOM 795 CA PRO A 183 12.879 -7.228 -0.024 1.00 0.00 C ATOM 796 C PRO A 183 11.740 -6.601 0.782 1.00 0.00 C ATOM 797 O PRO A 183 11.870 -5.485 1.282 1.00 0.00 O ATOM 798 CB PRO A 183 13.987 -7.790 0.853 1.00 0.00 C ATOM 799 CG PRO A 183 15.117 -6.774 0.799 1.00 0.00 C ATOM 800 CD PRO A 183 14.832 -5.822 -0.351 1.00 0.00 C ATOM 0 HA PRO A 183 12.404 -8.021 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.640 -7.934 1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.318 -8.762 0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 183 15.184 -6.227 1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 183 16.074 -7.275 0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.811 -4.786 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.601 -5.890 -1.121 1.00 0.00 H new ATOM 808 N VAL A 184 10.648 -7.345 0.881 1.00 0.00 N ATOM 809 CA VAL A 184 9.486 -6.875 1.617 1.00 0.00 C ATOM 810 C VAL A 184 9.731 -7.058 3.117 1.00 0.00 C ATOM 811 O VAL A 184 9.243 -6.272 3.928 1.00 0.00 O ATOM 812 CB VAL A 184 8.229 -7.594 1.124 1.00 0.00 C ATOM 813 CG1 VAL A 184 7.170 -7.663 2.226 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.671 -6.924 -0.132 1.00 0.00 C ATOM 0 H VAL A 184 10.543 -8.270 0.464 1.00 0.00 H new ATOM 0 HA VAL A 184 9.326 -5.811 1.441 1.00 0.00 H new ATOM 0 HB VAL A 184 8.507 -8.615 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.287 -8.179 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.570 -8.206 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.897 -6.653 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 184 6.778 -7.455 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.416 -5.888 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.421 -6.951 -0.922 1.00 0.00 H new ATOM 824 N PRO A 185 10.504 -8.126 3.448 1.00 0.00 N ATOM 825 CA PRO A 185 10.818 -8.422 4.835 1.00 0.00 C ATOM 826 C PRO A 185 11.867 -7.449 5.379 1.00 0.00 C ATOM 827 O PRO A 185 11.845 -7.103 6.559 1.00 0.00 O ATOM 828 CB PRO A 185 11.291 -9.866 4.832 1.00 0.00 C ATOM 829 CG PRO A 185 11.667 -10.179 3.394 1.00 0.00 C ATOM 830 CD PRO A 185 11.098 -9.078 2.514 1.00 0.00 C ATOM 0 HA PRO A 185 9.960 -8.300 5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.145 -9.999 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.506 -10.535 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.750 -10.233 3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.268 -11.149 3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.877 -8.609 1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.353 -9.470 1.821 1.00 0.00 H new ATOM 838 N TYR A 186 12.761 -7.038 4.492 1.00 0.00 N ATOM 839 CA TYR A 186 13.817 -6.112 4.868 1.00 0.00 C ATOM 840 C TYR A 186 13.385 -4.663 4.634 1.00 0.00 C ATOM 841 O TYR A 186 14.224 -3.788 4.424 1.00 0.00 O ATOM 842 CB TYR A 186 15.003 -6.432 3.955 1.00 0.00 C ATOM 843 CG TYR A 186 16.165 -7.128 4.667 1.00 0.00 C ATOM 844 CD1 TYR A 186 15.965 -8.342 5.291 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.414 -6.540 4.684 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.060 -8.996 5.961 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.508 -7.194 5.354 1.00 0.00 C ATOM 848 CZ TYR A 186 18.277 -8.391 5.958 1.00 0.00 C ATOM 849 OH TYR A 186 19.310 -9.009 6.591 1.00 0.00 O ATOM 0 H TYR A 186 12.776 -7.329 3.514 1.00 0.00 H new ATOM 0 HA TYR A 186 14.062 -6.218 5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.659 -7.066 3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.366 -5.506 3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 186 14.988 -8.802 5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.570 -5.590 4.195 1.00 0.00 H new ATOM 0 HE1 TYR A 186 16.917 -9.946 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.490 -6.744 5.377 1.00 0.00 H new ATOM 0 HH TYR A 186 19.192 -8.932 7.561 1.00 0.00 H new ATOM 859 N VAL A 187 12.077 -4.455 4.678 1.00 0.00 N ATOM 860 CA VAL A 187 11.524 -3.127 4.474 1.00 0.00 C ATOM 861 C VAL A 187 10.200 -3.008 5.232 1.00 0.00 C ATOM 862 O VAL A 187 9.659 -4.007 5.704 1.00 0.00 O ATOM 863 CB VAL A 187 11.383 -2.844 2.977 1.00 0.00 C ATOM 864 CG1 VAL A 187 12.730 -2.980 2.264 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.332 -3.757 2.343 1.00 0.00 C ATOM 0 H VAL A 187 11.385 -5.184 4.852 1.00 0.00 H new ATOM 0 HA VAL A 187 12.196 -2.368 4.873 1.00 0.00 H new ATOM 0 HB VAL A 187 11.045 -1.814 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 187 12.602 -2.774 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 187 13.440 -2.270 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.110 -3.994 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.252 -3.535 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.627 -4.798 2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.368 -3.589 2.822 1.00 0.00 H new ATOM 875 N GLU A 188 9.716 -1.778 5.326 1.00 0.00 N ATOM 876 CA GLU A 188 8.466 -1.516 6.018 1.00 0.00 C ATOM 877 C GLU A 188 7.646 -0.472 5.257 1.00 0.00 C ATOM 878 O GLU A 188 7.894 -0.222 4.078 1.00 0.00 O ATOM 879 CB GLU A 188 8.721 -1.069 7.459 1.00 0.00 C ATOM 880 CG GLU A 188 9.777 -1.951 8.128 1.00 0.00 C ATOM 881 CD GLU A 188 9.361 -2.317 9.555 1.00 0.00 C ATOM 882 OE1 GLU A 188 9.066 -1.375 10.319 1.00 0.00 O ATOM 883 OE2 GLU A 188 9.349 -3.533 9.846 1.00 0.00 O ATOM 0 H GLU A 188 10.168 -0.952 4.934 1.00 0.00 H new ATOM 0 HA GLU A 188 7.893 -2.442 6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 188 9.051 -0.030 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.792 -1.114 8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 188 9.921 -2.859 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.734 -1.429 8.147 1.00 0.00 H new ATOM 890 N LYS A 189 6.686 0.108 5.961 1.00 0.00 N ATOM 891 CA LYS A 189 5.828 1.119 5.367 1.00 0.00 C ATOM 892 C LYS A 189 5.989 2.433 6.134 1.00 0.00 C ATOM 893 O LYS A 189 6.122 2.430 7.357 1.00 0.00 O ATOM 894 CB LYS A 189 4.383 0.621 5.296 1.00 0.00 C ATOM 895 CG LYS A 189 3.995 0.269 3.858 1.00 0.00 C ATOM 896 CD LYS A 189 4.293 -1.201 3.554 1.00 0.00 C ATOM 897 CE LYS A 189 3.159 -1.835 2.747 1.00 0.00 C ATOM 898 NZ LYS A 189 1.933 -1.941 3.571 1.00 0.00 N ATOM 0 H LYS A 189 6.483 -0.103 6.938 1.00 0.00 H new ATOM 0 HA LYS A 189 6.125 1.313 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 189 4.265 -0.255 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.711 1.388 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 189 2.934 0.468 3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 189 4.543 0.906 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 189 5.227 -1.279 2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 189 4.430 -1.748 4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 189 2.957 -1.236 1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 189 3.459 -2.824 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 1.344 -2.722 3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 2.195 -2.125 4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 1.398 -1.051 3.514 1.00 0.00 H new