USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 171 ASN : amide:sc= -1.35 K(o=-2.5,f=-7.9!) USER MOD Set 1.2: A 181 MET CE :methyl -122:sc= -1.13 (180deg=-4.32!) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc=-0.00515 X(o=-0.0051,f=0) USER MOD Single : A 175 SER OG : rot 43:sc= 0.047 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot -77:sc= 0.174 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 136 4.822 3.448 -0.023 1.00 0.00 N ATOM 27 CA TYR A 136 5.966 4.032 0.655 1.00 0.00 C ATOM 28 C TYR A 136 6.452 3.126 1.790 1.00 0.00 C ATOM 29 O TYR A 136 5.876 3.124 2.877 1.00 0.00 O ATOM 30 CB TYR A 136 5.476 5.354 1.250 1.00 0.00 C ATOM 31 CG TYR A 136 3.967 5.402 1.496 1.00 0.00 C ATOM 32 CD1 TYR A 136 3.431 4.801 2.617 1.00 0.00 C ATOM 33 CD2 TYR A 136 3.142 6.049 0.599 1.00 0.00 C ATOM 34 CE1 TYR A 136 2.010 4.847 2.849 1.00 0.00 C ATOM 35 CE2 TYR A 136 1.721 6.096 0.831 1.00 0.00 C ATOM 36 CZ TYR A 136 1.226 5.492 1.945 1.00 0.00 C ATOM 37 OH TYR A 136 -0.116 5.535 2.164 1.00 0.00 O ATOM 0 HA TYR A 136 6.795 4.168 -0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 136 5.994 5.531 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 136 5.751 6.167 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 136 4.077 4.296 3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 136 3.562 6.520 -0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 136 1.577 4.380 3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.064 6.599 0.137 1.00 0.00 H new ATOM 0 HH TYR A 136 -0.550 6.029 1.438 1.00 0.00 H new ATOM 47 N VAL A 137 7.506 2.379 1.497 1.00 0.00 N ATOM 48 CA VAL A 137 8.076 1.471 2.479 1.00 0.00 C ATOM 49 C VAL A 137 9.561 1.792 2.663 1.00 0.00 C ATOM 50 O VAL A 137 10.257 2.100 1.697 1.00 0.00 O ATOM 51 CB VAL A 137 7.826 0.022 2.058 1.00 0.00 C ATOM 52 CG1 VAL A 137 6.327 -0.286 2.017 1.00 0.00 C ATOM 53 CG2 VAL A 137 8.484 -0.280 0.711 1.00 0.00 C ATOM 0 H VAL A 137 7.980 2.383 0.594 1.00 0.00 H new ATOM 0 HA VAL A 137 7.593 1.603 3.447 1.00 0.00 H new ATOM 0 HB VAL A 137 8.282 -0.627 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.177 -1.322 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 137 5.896 -0.130 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.839 0.375 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 137 8.290 -1.317 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.072 0.381 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 137 9.559 -0.120 0.787 1.00 0.00 H new ATOM 63 N ARG A 138 10.001 1.709 3.910 1.00 0.00 N ATOM 64 CA ARG A 138 11.390 1.986 4.233 1.00 0.00 C ATOM 65 C ARG A 138 12.184 0.682 4.328 1.00 0.00 C ATOM 66 O ARG A 138 11.683 -0.381 3.964 1.00 0.00 O ATOM 67 CB ARG A 138 11.506 2.744 5.557 1.00 0.00 C ATOM 68 CG ARG A 138 10.903 1.935 6.707 1.00 0.00 C ATOM 69 CD ARG A 138 9.603 2.572 7.204 1.00 0.00 C ATOM 70 NE ARG A 138 9.349 3.834 6.475 1.00 0.00 N ATOM 71 CZ ARG A 138 9.741 5.042 6.902 1.00 0.00 C ATOM 72 NH1 ARG A 138 10.411 5.158 8.058 1.00 0.00 N ATOM 73 NH2 ARG A 138 9.465 6.133 6.176 1.00 0.00 N ATOM 0 H ARG A 138 9.420 1.454 4.709 1.00 0.00 H new ATOM 0 HA ARG A 138 11.799 2.606 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 138 12.554 2.957 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.996 3.704 5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.709 0.915 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.618 1.873 7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.771 1.883 7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.670 2.767 8.274 1.00 0.00 H new ATOM 0 HE ARG A 138 8.843 3.781 5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 138 10.622 4.327 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 138 10.710 6.077 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.956 6.045 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.764 7.052 6.502 1.00 0.00 H new ATOM 87 N ALA A 139 13.408 0.806 4.819 1.00 0.00 N ATOM 88 CA ALA A 139 14.276 -0.350 4.966 1.00 0.00 C ATOM 89 C ALA A 139 15.207 -0.133 6.161 1.00 0.00 C ATOM 90 O ALA A 139 16.267 0.476 6.023 1.00 0.00 O ATOM 91 CB ALA A 139 15.044 -0.582 3.663 1.00 0.00 C ATOM 0 H ALA A 139 13.819 1.689 5.120 1.00 0.00 H new ATOM 0 HA ALA A 139 13.690 -1.248 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 139 15.695 -1.449 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.338 -0.759 2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.647 0.297 3.434 1.00 0.00 H new ATOM 97 N LEU A 140 14.779 -0.645 7.305 1.00 0.00 N ATOM 98 CA LEU A 140 15.561 -0.516 8.522 1.00 0.00 C ATOM 99 C LEU A 140 16.404 -1.778 8.718 1.00 0.00 C ATOM 100 O LEU A 140 16.645 -2.198 9.849 1.00 0.00 O ATOM 101 CB LEU A 140 14.654 -0.192 9.710 1.00 0.00 C ATOM 102 CG LEU A 140 13.179 -0.566 9.550 1.00 0.00 C ATOM 103 CD1 LEU A 140 13.016 -2.073 9.343 1.00 0.00 C ATOM 104 CD2 LEU A 140 12.352 -0.057 10.732 1.00 0.00 C ATOM 0 H LEU A 140 13.900 -1.150 7.415 1.00 0.00 H new ATOM 0 HA LEU A 140 16.254 0.322 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 140 15.045 -0.703 10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.717 0.878 9.909 1.00 0.00 H new ATOM 0 HG LEU A 140 12.797 -0.074 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.959 -2.313 9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.553 -2.377 8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 140 13.420 -2.604 10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.308 -0.337 10.593 1.00 0.00 H new ATOM 0 HD22 LEU A 140 12.726 -0.500 11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.432 1.028 10.792 1.00 0.00 H new ATOM 116 N PHE A 141 16.828 -2.347 7.600 1.00 0.00 N ATOM 117 CA PHE A 141 17.640 -3.552 7.634 1.00 0.00 C ATOM 118 C PHE A 141 18.796 -3.464 6.638 1.00 0.00 C ATOM 119 O PHE A 141 19.702 -4.297 6.656 1.00 0.00 O ATOM 120 CB PHE A 141 16.728 -4.716 7.238 1.00 0.00 C ATOM 121 CG PHE A 141 16.718 -5.868 8.243 1.00 0.00 C ATOM 122 CD1 PHE A 141 17.714 -6.795 8.227 1.00 0.00 C ATOM 123 CD2 PHE A 141 15.713 -5.968 9.155 1.00 0.00 C ATOM 124 CE1 PHE A 141 17.704 -7.865 9.160 1.00 0.00 C ATOM 125 CE2 PHE A 141 15.703 -7.038 10.088 1.00 0.00 C ATOM 126 CZ PHE A 141 16.700 -7.964 10.070 1.00 0.00 C ATOM 0 H PHE A 141 16.625 -1.996 6.664 1.00 0.00 H new ATOM 0 HA PHE A 141 18.064 -3.687 8.629 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.711 -4.343 7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.044 -5.097 6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 141 18.513 -6.717 7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 141 14.922 -5.233 9.169 1.00 0.00 H new ATOM 0 HE1 PHE A 141 18.495 -8.601 9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.905 -7.117 10.811 1.00 0.00 H new ATOM 0 HZ PHE A 141 16.693 -8.778 10.780 1.00 0.00 H new ATOM 136 N ASP A 142 18.729 -2.447 5.790 1.00 0.00 N ATOM 137 CA ASP A 142 19.759 -2.240 4.787 1.00 0.00 C ATOM 138 C ASP A 142 20.005 -3.549 4.035 1.00 0.00 C ATOM 139 O ASP A 142 19.577 -4.614 4.478 1.00 0.00 O ATOM 140 CB ASP A 142 21.078 -1.811 5.433 1.00 0.00 C ATOM 141 CG ASP A 142 22.339 -2.250 4.684 1.00 0.00 C ATOM 142 OD1 ASP A 142 22.708 -1.533 3.729 1.00 0.00 O ATOM 143 OD2 ASP A 142 22.903 -3.291 5.083 1.00 0.00 O ATOM 0 H ASP A 142 17.977 -1.758 5.778 1.00 0.00 H new ATOM 0 HA ASP A 142 19.417 -1.457 4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.086 -0.725 5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 142 21.117 -2.213 6.445 1.00 0.00 H new ATOM 148 N PHE A 143 20.692 -3.428 2.909 1.00 0.00 N ATOM 149 CA PHE A 143 21.000 -4.588 2.092 1.00 0.00 C ATOM 150 C PHE A 143 22.273 -4.362 1.273 1.00 0.00 C ATOM 151 O PHE A 143 23.180 -5.193 1.286 1.00 0.00 O ATOM 152 CB PHE A 143 19.822 -4.786 1.135 1.00 0.00 C ATOM 153 CG PHE A 143 20.170 -5.584 -0.124 1.00 0.00 C ATOM 154 CD1 PHE A 143 20.745 -4.959 -1.187 1.00 0.00 C ATOM 155 CD2 PHE A 143 19.906 -6.916 -0.181 1.00 0.00 C ATOM 156 CE1 PHE A 143 21.066 -5.698 -2.356 1.00 0.00 C ATOM 157 CE2 PHE A 143 20.229 -7.656 -1.348 1.00 0.00 C ATOM 158 CZ PHE A 143 20.802 -7.030 -2.412 1.00 0.00 C ATOM 0 H PHE A 143 21.044 -2.543 2.543 1.00 0.00 H new ATOM 0 HA PHE A 143 21.160 -5.458 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 143 19.018 -5.296 1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.439 -3.809 0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 143 20.957 -3.901 -1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 143 19.450 -7.412 0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 143 21.520 -5.202 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 143 20.020 -8.715 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 143 21.047 -7.592 -3.301 1.00 0.00 H new ATOM 245 N ASP A 150 18.641 -5.823 -8.085 1.00 0.00 N ATOM 246 CA ASP A 150 17.726 -5.200 -7.144 1.00 0.00 C ATOM 247 C ASP A 150 18.240 -3.804 -6.788 1.00 0.00 C ATOM 248 O ASP A 150 19.232 -3.341 -7.350 1.00 0.00 O ATOM 249 CB ASP A 150 17.627 -6.012 -5.852 1.00 0.00 C ATOM 250 CG ASP A 150 17.488 -7.523 -6.047 1.00 0.00 C ATOM 251 OD1 ASP A 150 16.739 -7.909 -6.970 1.00 0.00 O ATOM 252 OD2 ASP A 150 18.134 -8.257 -5.268 1.00 0.00 O ATOM 0 HA ASP A 150 16.743 -5.149 -7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 150 18.515 -5.819 -5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 150 16.771 -5.654 -5.281 1.00 0.00 H new ATOM 257 N LEU A 151 17.544 -3.172 -5.855 1.00 0.00 N ATOM 258 CA LEU A 151 17.919 -1.838 -5.416 1.00 0.00 C ATOM 259 C LEU A 151 18.506 -1.916 -4.005 1.00 0.00 C ATOM 260 O LEU A 151 17.829 -2.338 -3.069 1.00 0.00 O ATOM 261 CB LEU A 151 16.731 -0.882 -5.535 1.00 0.00 C ATOM 262 CG LEU A 151 16.695 0.272 -4.531 1.00 0.00 C ATOM 263 CD1 LEU A 151 18.036 1.008 -4.493 1.00 0.00 C ATOM 264 CD2 LEU A 151 15.529 1.219 -4.824 1.00 0.00 C ATOM 0 H LEU A 151 16.722 -3.559 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 151 18.695 -1.428 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 151 16.727 -0.462 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 151 15.813 -1.460 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 151 16.528 -0.145 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 151 17.983 1.823 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 151 18.824 0.314 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 151 18.258 1.412 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 151 15.527 2.030 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 151 15.639 1.632 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 151 14.589 0.670 -4.759 1.00 0.00 H new ATOM 276 N PRO A 152 19.793 -1.490 -3.895 1.00 0.00 N ATOM 277 CA PRO A 152 20.480 -1.509 -2.614 1.00 0.00 C ATOM 278 C PRO A 152 19.990 -0.372 -1.714 1.00 0.00 C ATOM 279 O PRO A 152 20.087 0.799 -2.079 1.00 0.00 O ATOM 280 CB PRO A 152 21.957 -1.400 -2.958 1.00 0.00 C ATOM 281 CG PRO A 152 22.016 -0.861 -4.378 1.00 0.00 C ATOM 282 CD PRO A 152 20.626 -0.984 -4.981 1.00 0.00 C ATOM 0 HA PRO A 152 20.284 -2.417 -2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 152 22.471 -0.733 -2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 152 22.447 -2.371 -2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 152 22.342 0.179 -4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 152 22.740 -1.422 -4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 152 20.264 -0.021 -5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 152 20.623 -1.665 -5.832 1.00 0.00 H new ATOM 290 N PHE A 153 19.476 -0.757 -0.556 1.00 0.00 N ATOM 291 CA PHE A 153 18.972 0.215 0.399 1.00 0.00 C ATOM 292 C PHE A 153 19.768 0.166 1.704 1.00 0.00 C ATOM 293 O PHE A 153 20.580 -0.736 1.907 1.00 0.00 O ATOM 294 CB PHE A 153 17.516 -0.156 0.690 1.00 0.00 C ATOM 295 CG PHE A 153 17.321 -1.608 1.129 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.142 -2.584 0.197 1.00 0.00 C ATOM 297 CD2 PHE A 153 17.325 -1.926 2.451 1.00 0.00 C ATOM 298 CE1 PHE A 153 16.961 -3.931 0.605 1.00 0.00 C ATOM 299 CE2 PHE A 153 17.144 -3.274 2.860 1.00 0.00 C ATOM 300 CZ PHE A 153 16.966 -4.248 1.928 1.00 0.00 C ATOM 0 H PHE A 153 19.397 -1.729 -0.257 1.00 0.00 H new ATOM 0 HA PHE A 153 19.062 1.220 -0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 153 17.132 0.503 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 153 16.920 0.026 -0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 153 17.138 -2.333 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 153 17.466 -1.152 3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 153 16.819 -4.705 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 153 17.148 -3.525 3.910 1.00 0.00 H new ATOM 0 HZ PHE A 153 16.829 -5.273 2.238 1.00 0.00 H new ATOM 310 N LYS A 154 19.509 1.147 2.556 1.00 0.00 N ATOM 311 CA LYS A 154 20.191 1.227 3.837 1.00 0.00 C ATOM 312 C LYS A 154 19.210 0.875 4.956 1.00 0.00 C ATOM 313 O LYS A 154 18.044 0.583 4.695 1.00 0.00 O ATOM 314 CB LYS A 154 20.852 2.596 4.007 1.00 0.00 C ATOM 315 CG LYS A 154 22.374 2.464 4.090 1.00 0.00 C ATOM 316 CD LYS A 154 23.028 2.804 2.749 1.00 0.00 C ATOM 317 CE LYS A 154 24.433 3.374 2.954 1.00 0.00 C ATOM 318 NZ LYS A 154 25.312 3.009 1.820 1.00 0.00 N ATOM 0 H LYS A 154 18.836 1.894 2.384 1.00 0.00 H new ATOM 0 HA LYS A 154 21.001 0.499 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 154 20.584 3.239 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 154 20.475 3.076 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 154 22.758 3.127 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 154 22.639 1.447 4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 154 23.081 1.909 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 154 22.413 3.527 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 154 24.382 4.459 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 154 24.854 2.994 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 26.261 3.404 1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 25.375 1.973 1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 24.918 3.393 0.938 1.00 0.00 H new ATOM 332 N LYS A 155 19.718 0.914 6.179 1.00 0.00 N ATOM 333 CA LYS A 155 18.900 0.602 7.340 1.00 0.00 C ATOM 334 C LYS A 155 18.126 1.852 7.763 1.00 0.00 C ATOM 335 O LYS A 155 18.574 2.599 8.633 1.00 0.00 O ATOM 336 CB LYS A 155 19.759 0.003 8.455 1.00 0.00 C ATOM 337 CG LYS A 155 18.919 -0.274 9.704 1.00 0.00 C ATOM 338 CD LYS A 155 19.336 0.643 10.857 1.00 0.00 C ATOM 339 CE LYS A 155 18.306 1.753 11.073 1.00 0.00 C ATOM 340 NZ LYS A 155 17.856 1.776 12.483 1.00 0.00 N ATOM 0 H LYS A 155 20.686 1.157 6.392 1.00 0.00 H new ATOM 0 HA LYS A 155 18.162 -0.162 7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 155 20.218 -0.923 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.570 0.688 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 155 17.863 -0.124 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 155 19.036 -1.316 10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.444 0.059 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 155 20.310 1.082 10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 155 18.741 2.717 10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 155 17.451 1.597 10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 17.157 2.535 12.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 17.423 0.862 12.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 18.672 1.947 13.105 1.00 0.00 H new ATOM 354 N GLY A 156 16.979 2.043 7.130 1.00 0.00 N ATOM 355 CA GLY A 156 16.138 3.189 7.430 1.00 0.00 C ATOM 356 C GLY A 156 15.908 4.043 6.181 1.00 0.00 C ATOM 357 O GLY A 156 15.606 5.230 6.284 1.00 0.00 O ATOM 0 H GLY A 156 16.611 1.422 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 156 15.180 2.849 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 156 16.605 3.794 8.207 1.00 0.00 H new ATOM 361 N ASP A 157 16.060 3.403 5.030 1.00 0.00 N ATOM 362 CA ASP A 157 15.872 4.088 3.763 1.00 0.00 C ATOM 363 C ASP A 157 14.383 4.101 3.410 1.00 0.00 C ATOM 364 O ASP A 157 13.621 3.265 3.893 1.00 0.00 O ATOM 365 CB ASP A 157 16.619 3.375 2.635 1.00 0.00 C ATOM 366 CG ASP A 157 16.527 4.054 1.267 1.00 0.00 C ATOM 367 OD1 ASP A 157 15.466 3.897 0.626 1.00 0.00 O ATOM 368 OD2 ASP A 157 17.519 4.715 0.893 1.00 0.00 O ATOM 0 H ASP A 157 16.311 2.418 4.949 1.00 0.00 H new ATOM 0 HA ASP A 157 16.259 5.101 3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 157 17.670 3.291 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 157 16.230 2.360 2.547 1.00 0.00 H new ATOM 373 N ILE A 158 14.015 5.058 2.572 1.00 0.00 N ATOM 374 CA ILE A 158 12.631 5.190 2.148 1.00 0.00 C ATOM 375 C ILE A 158 12.529 4.899 0.650 1.00 0.00 C ATOM 376 O ILE A 158 13.306 5.430 -0.143 1.00 0.00 O ATOM 377 CB ILE A 158 12.077 6.559 2.547 1.00 0.00 C ATOM 378 CG1 ILE A 158 11.329 6.482 3.881 1.00 0.00 C ATOM 379 CG2 ILE A 158 11.205 7.143 1.435 1.00 0.00 C ATOM 380 CD1 ILE A 158 12.292 6.190 5.032 1.00 0.00 C ATOM 0 H ILE A 158 14.651 5.750 2.175 1.00 0.00 H new ATOM 0 HA ILE A 158 12.006 4.457 2.658 1.00 0.00 H new ATOM 0 HB ILE A 158 12.917 7.239 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 158 10.810 7.422 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 158 10.569 5.703 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 158 10.824 8.116 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 158 11.800 7.258 0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 158 10.369 6.472 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 158 11.736 6.140 5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 158 12.791 5.237 4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 158 13.036 6.984 5.094 1.00 0.00 H new ATOM 392 N LEU A 159 11.566 4.056 0.307 1.00 0.00 N ATOM 393 CA LEU A 159 11.354 3.687 -1.082 1.00 0.00 C ATOM 394 C LEU A 159 9.856 3.509 -1.334 1.00 0.00 C ATOM 395 O LEU A 159 9.162 2.865 -0.549 1.00 0.00 O ATOM 396 CB LEU A 159 12.190 2.458 -1.445 1.00 0.00 C ATOM 397 CG LEU A 159 13.683 2.543 -1.122 1.00 0.00 C ATOM 398 CD1 LEU A 159 14.003 1.812 0.184 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.527 2.028 -2.288 1.00 0.00 C ATOM 0 H LEU A 159 10.924 3.618 0.967 1.00 0.00 H new ATOM 0 HA LEU A 159 11.697 4.482 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.775 1.594 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.080 2.271 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 159 13.942 3.592 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 159 15.071 1.887 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 159 13.442 2.265 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 159 13.725 0.762 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 159 15.584 2.100 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 159 14.272 0.988 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.327 2.629 -3.175 1.00 0.00 H new ATOM 411 N ARG A 160 9.400 4.090 -2.435 1.00 0.00 N ATOM 412 CA ARG A 160 7.996 4.003 -2.800 1.00 0.00 C ATOM 413 C ARG A 160 7.758 2.794 -3.709 1.00 0.00 C ATOM 414 O ARG A 160 8.598 2.468 -4.546 1.00 0.00 O ATOM 415 CB ARG A 160 7.535 5.272 -3.520 1.00 0.00 C ATOM 416 CG ARG A 160 7.383 5.026 -5.023 1.00 0.00 C ATOM 417 CD ARG A 160 7.221 6.345 -5.781 1.00 0.00 C ATOM 418 NE ARG A 160 8.544 6.844 -6.217 1.00 0.00 N ATOM 419 CZ ARG A 160 8.720 7.900 -7.024 1.00 0.00 C ATOM 420 NH1 ARG A 160 7.658 8.574 -7.486 1.00 0.00 N ATOM 421 NH2 ARG A 160 9.957 8.282 -7.367 1.00 0.00 N ATOM 0 H ARG A 160 9.978 4.622 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 160 7.420 3.890 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.584 5.605 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 160 8.255 6.073 -3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 160 8.256 4.492 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.517 4.389 -5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.575 6.199 -6.647 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.737 7.084 -5.142 1.00 0.00 H new ATOM 0 HE ARG A 160 9.374 6.354 -5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 160 6.716 8.284 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 160 7.792 9.377 -8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 160 10.765 7.769 -7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 160 10.091 9.085 -7.981 1.00 0.00 H new ATOM 435 N ILE A 161 6.610 2.164 -3.512 1.00 0.00 N ATOM 436 CA ILE A 161 6.251 0.999 -4.302 1.00 0.00 C ATOM 437 C ILE A 161 5.554 1.454 -5.586 1.00 0.00 C ATOM 438 O ILE A 161 4.481 2.054 -5.534 1.00 0.00 O ATOM 439 CB ILE A 161 5.424 0.019 -3.467 1.00 0.00 C ATOM 440 CG1 ILE A 161 6.242 -1.225 -3.113 1.00 0.00 C ATOM 441 CG2 ILE A 161 4.116 -0.337 -4.176 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.391 -0.873 -2.167 1.00 0.00 C ATOM 0 H ILE A 161 5.916 2.438 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 161 7.145 0.451 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 161 5.159 0.507 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.596 -1.969 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 161 6.640 -1.674 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.547 -1.035 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.530 0.568 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.338 -0.799 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 161 7.957 -1.774 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 161 8.048 -0.147 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 161 6.988 -0.446 -1.248 1.00 0.00 H new ATOM 454 N ARG A 162 6.191 1.151 -6.707 1.00 0.00 N ATOM 455 CA ARG A 162 5.646 1.522 -8.002 1.00 0.00 C ATOM 456 C ARG A 162 5.156 0.278 -8.747 1.00 0.00 C ATOM 457 O ARG A 162 4.163 0.335 -9.471 1.00 0.00 O ATOM 458 CB ARG A 162 6.692 2.239 -8.855 1.00 0.00 C ATOM 459 CG ARG A 162 7.829 1.291 -9.242 1.00 0.00 C ATOM 460 CD ARG A 162 7.581 0.670 -10.618 1.00 0.00 C ATOM 461 NE ARG A 162 7.583 1.724 -11.657 1.00 0.00 N ATOM 462 CZ ARG A 162 6.476 2.300 -12.144 1.00 0.00 C ATOM 463 NH1 ARG A 162 5.271 1.928 -11.690 1.00 0.00 N ATOM 464 NH2 ARG A 162 6.573 3.248 -13.087 1.00 0.00 N ATOM 0 H ARG A 162 7.080 0.652 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 162 4.810 2.199 -7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 162 6.222 2.636 -9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.094 3.089 -8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 162 8.774 1.835 -9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 162 7.920 0.503 -8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 162 8.352 -0.069 -10.837 1.00 0.00 H new ATOM 0 HD3 ARG A 162 6.626 0.145 -10.622 1.00 0.00 H new ATOM 0 HE ARG A 162 8.483 2.031 -12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 162 5.197 1.206 -10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 162 4.428 2.367 -12.061 1.00 0.00 H new ATOM 0 HH21 ARG A 162 7.490 3.531 -13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 162 5.730 3.687 -13.458 1.00 0.00 H new ATOM 478 N ASP A 163 5.873 -0.816 -8.543 1.00 0.00 N ATOM 479 CA ASP A 163 5.524 -2.072 -9.186 1.00 0.00 C ATOM 480 C ASP A 163 5.689 -3.216 -8.184 1.00 0.00 C ATOM 481 O ASP A 163 6.453 -3.103 -7.227 1.00 0.00 O ATOM 482 CB ASP A 163 6.439 -2.352 -10.379 1.00 0.00 C ATOM 483 CG ASP A 163 5.800 -2.128 -11.751 1.00 0.00 C ATOM 484 OD1 ASP A 163 4.907 -2.930 -12.099 1.00 0.00 O ATOM 485 OD2 ASP A 163 6.219 -1.161 -12.422 1.00 0.00 O ATOM 0 H ASP A 163 6.695 -0.860 -7.941 1.00 0.00 H new ATOM 0 HA ASP A 163 4.493 -1.999 -9.532 1.00 0.00 H new ATOM 0 HB2 ASP A 163 7.321 -1.717 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 163 6.783 -3.385 -10.319 1.00 0.00 H new ATOM 490 N LYS A 164 4.960 -4.293 -8.439 1.00 0.00 N ATOM 491 CA LYS A 164 5.017 -5.457 -7.572 1.00 0.00 C ATOM 492 C LYS A 164 4.903 -6.725 -8.420 1.00 0.00 C ATOM 493 O LYS A 164 3.805 -7.231 -8.643 1.00 0.00 O ATOM 494 CB LYS A 164 3.958 -5.356 -6.471 1.00 0.00 C ATOM 495 CG LYS A 164 3.818 -6.683 -5.723 1.00 0.00 C ATOM 496 CD LYS A 164 2.492 -6.747 -4.963 1.00 0.00 C ATOM 497 CE LYS A 164 1.342 -7.126 -5.899 1.00 0.00 C ATOM 498 NZ LYS A 164 0.131 -6.339 -5.575 1.00 0.00 N ATOM 0 H LYS A 164 4.327 -4.384 -9.234 1.00 0.00 H new ATOM 0 HA LYS A 164 5.977 -5.503 -7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 164 4.230 -4.566 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 164 2.999 -5.078 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 164 3.876 -7.511 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 164 4.647 -6.800 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 164 2.565 -7.477 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 164 2.287 -5.781 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 164 1.633 -6.947 -6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 164 1.127 -8.191 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -0.640 -6.608 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -0.155 -6.530 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 0.336 -5.325 -5.685 1.00 0.00 H new ATOM 512 N PRO A 165 6.085 -7.215 -8.881 1.00 0.00 N ATOM 513 CA PRO A 165 6.129 -8.415 -9.700 1.00 0.00 C ATOM 514 C PRO A 165 5.902 -9.667 -8.850 1.00 0.00 C ATOM 515 O PRO A 165 4.882 -10.341 -8.991 1.00 0.00 O ATOM 516 CB PRO A 165 7.496 -8.387 -10.365 1.00 0.00 C ATOM 517 CG PRO A 165 8.341 -7.429 -9.541 1.00 0.00 C ATOM 518 CD PRO A 165 7.405 -6.643 -8.637 1.00 0.00 C ATOM 0 HA PRO A 165 5.337 -8.443 -10.449 1.00 0.00 H new ATOM 0 HB2 PRO A 165 7.941 -9.382 -10.385 1.00 0.00 H new ATOM 0 HB3 PRO A 165 7.420 -8.051 -11.399 1.00 0.00 H new ATOM 0 HG2 PRO A 165 9.073 -7.978 -8.948 1.00 0.00 H new ATOM 0 HG3 PRO A 165 8.899 -6.755 -10.192 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.691 -6.741 -7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 165 7.426 -5.579 -8.875 1.00 0.00 H new ATOM 526 N GLU A 166 6.870 -9.942 -7.988 1.00 0.00 N ATOM 527 CA GLU A 166 6.788 -11.101 -7.116 1.00 0.00 C ATOM 528 C GLU A 166 6.357 -10.679 -5.710 1.00 0.00 C ATOM 529 O GLU A 166 5.928 -9.545 -5.503 1.00 0.00 O ATOM 530 CB GLU A 166 8.119 -11.854 -7.079 1.00 0.00 C ATOM 531 CG GLU A 166 8.666 -12.072 -8.490 1.00 0.00 C ATOM 532 CD GLU A 166 10.194 -12.160 -8.479 1.00 0.00 C ATOM 533 OE1 GLU A 166 10.715 -12.857 -7.581 1.00 0.00 O ATOM 534 OE2 GLU A 166 10.806 -11.530 -9.368 1.00 0.00 O ATOM 0 H GLU A 166 7.715 -9.382 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 166 6.035 -11.780 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.842 -11.292 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.983 -12.816 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 166 8.249 -12.988 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 166 8.350 -11.253 -9.137 1.00 0.00 H new ATOM 541 N GLU A 167 6.486 -11.613 -4.780 1.00 0.00 N ATOM 542 CA GLU A 167 6.116 -11.352 -3.400 1.00 0.00 C ATOM 543 C GLU A 167 7.368 -11.174 -2.538 1.00 0.00 C ATOM 544 O GLU A 167 7.425 -10.277 -1.698 1.00 0.00 O ATOM 545 CB GLU A 167 5.226 -12.468 -2.850 1.00 0.00 C ATOM 546 CG GLU A 167 5.942 -13.819 -2.907 1.00 0.00 C ATOM 547 CD GLU A 167 5.065 -14.930 -2.326 1.00 0.00 C ATOM 548 OE1 GLU A 167 3.830 -14.812 -2.470 1.00 0.00 O ATOM 549 OE2 GLU A 167 5.651 -15.872 -1.750 1.00 0.00 O ATOM 0 H GLU A 167 6.842 -12.553 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 167 5.542 -10.426 -3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 167 4.949 -12.243 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 167 4.302 -12.518 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 167 6.198 -14.056 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 167 6.878 -13.762 -2.352 1.00 0.00 H new ATOM 556 N GLN A 168 8.338 -12.044 -2.776 1.00 0.00 N ATOM 557 CA GLN A 168 9.586 -11.995 -2.033 1.00 0.00 C ATOM 558 C GLN A 168 10.312 -10.675 -2.300 1.00 0.00 C ATOM 559 O GLN A 168 10.897 -10.088 -1.391 1.00 0.00 O ATOM 560 CB GLN A 168 10.477 -13.189 -2.376 1.00 0.00 C ATOM 561 CG GLN A 168 10.988 -13.096 -3.816 1.00 0.00 C ATOM 562 CD GLN A 168 11.881 -14.291 -4.159 1.00 0.00 C ATOM 563 OE1 GLN A 168 11.487 -15.213 -4.854 1.00 0.00 O ATOM 564 NE2 GLN A 168 13.101 -14.223 -3.635 1.00 0.00 N ATOM 0 H GLN A 168 8.285 -12.787 -3.473 1.00 0.00 H new ATOM 0 HA GLN A 168 9.354 -12.051 -0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 168 11.322 -13.226 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 168 9.917 -14.115 -2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 168 10.143 -13.059 -4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 168 11.547 -12.170 -3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 168 13.366 -13.422 -3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 168 13.772 -14.972 -3.806 1.00 0.00 H new ATOM 573 N TRP A 169 10.250 -10.245 -3.552 1.00 0.00 N ATOM 574 CA TRP A 169 10.894 -9.006 -3.951 1.00 0.00 C ATOM 575 C TRP A 169 9.838 -8.114 -4.606 1.00 0.00 C ATOM 576 O TRP A 169 8.931 -8.607 -5.276 1.00 0.00 O ATOM 577 CB TRP A 169 12.093 -9.278 -4.862 1.00 0.00 C ATOM 578 CG TRP A 169 13.412 -9.476 -4.111 1.00 0.00 C ATOM 579 CD1 TRP A 169 13.946 -10.622 -3.668 1.00 0.00 C ATOM 580 CD2 TRP A 169 14.348 -8.445 -3.733 1.00 0.00 C ATOM 581 NE1 TRP A 169 15.152 -10.407 -3.034 1.00 0.00 N ATOM 582 CE2 TRP A 169 15.405 -9.039 -3.075 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.304 -7.054 -3.940 1.00 0.00 C ATOM 584 CZ2 TRP A 169 16.496 -8.323 -2.570 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.402 -6.352 -3.430 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.474 -6.937 -2.765 1.00 0.00 C ATOM 0 H TRP A 169 9.763 -10.733 -4.303 1.00 0.00 H new ATOM 0 HA TRP A 169 11.300 -8.487 -3.083 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.889 -10.167 -5.458 1.00 0.00 H new ATOM 0 HB3 TRP A 169 12.204 -8.446 -5.558 1.00 0.00 H new ATOM 0 HD1 TRP A 169 13.489 -11.593 -3.792 1.00 0.00 H new ATOM 0 HE1 TRP A 169 15.748 -11.119 -2.613 1.00 0.00 H new ATOM 0 HE3 TRP A 169 13.487 -6.567 -4.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 17.311 -8.813 -2.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 15.418 -5.280 -3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.286 -6.325 -2.401 1.00 0.00 H new ATOM 597 N TRP A 170 9.989 -6.815 -4.390 1.00 0.00 N ATOM 598 CA TRP A 170 9.060 -5.849 -4.950 1.00 0.00 C ATOM 599 C TRP A 170 9.860 -4.858 -5.797 1.00 0.00 C ATOM 600 O TRP A 170 11.080 -4.976 -5.909 1.00 0.00 O ATOM 601 CB TRP A 170 8.243 -5.171 -3.848 1.00 0.00 C ATOM 602 CG TRP A 170 7.070 -6.010 -3.337 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.624 -7.180 -3.813 1.00 0.00 C ATOM 604 CD2 TRP A 170 6.207 -5.693 -2.225 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.540 -7.639 -3.091 1.00 0.00 N ATOM 606 CE2 TRP A 170 5.279 -6.706 -2.095 1.00 0.00 C ATOM 607 CE3 TRP A 170 6.210 -4.587 -1.357 1.00 0.00 C ATOM 608 CZ2 TRP A 170 4.286 -6.715 -1.108 1.00 0.00 C ATOM 609 CZ3 TRP A 170 5.210 -4.610 -0.377 1.00 0.00 C ATOM 610 CH2 TRP A 170 4.269 -5.622 -0.232 1.00 0.00 C ATOM 0 H TRP A 170 10.742 -6.409 -3.834 1.00 0.00 H new ATOM 0 HA TRP A 170 8.330 -6.344 -5.591 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.902 -4.939 -3.011 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.861 -4.222 -4.225 1.00 0.00 H new ATOM 0 HD1 TRP A 170 7.057 -7.699 -4.655 1.00 0.00 H new ATOM 0 HE1 TRP A 170 5.026 -8.504 -3.258 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.927 -3.783 -1.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.572 -7.521 -1.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 5.167 -3.782 0.315 1.00 0.00 H new ATOM 0 HH2 TRP A 170 3.528 -5.566 0.552 1.00 0.00 H new ATOM 621 N ASN A 171 9.143 -3.904 -6.371 1.00 0.00 N ATOM 622 CA ASN A 171 9.771 -2.893 -7.204 1.00 0.00 C ATOM 623 C ASN A 171 9.351 -1.505 -6.718 1.00 0.00 C ATOM 624 O ASN A 171 8.228 -1.068 -6.967 1.00 0.00 O ATOM 625 CB ASN A 171 9.336 -3.034 -8.664 1.00 0.00 C ATOM 626 CG ASN A 171 10.548 -3.045 -9.598 1.00 0.00 C ATOM 627 OD1 ASN A 171 10.881 -4.046 -10.212 1.00 0.00 O ATOM 628 ND2 ASN A 171 11.186 -1.881 -9.671 1.00 0.00 N ATOM 0 H ASN A 171 8.132 -3.810 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 171 10.851 -3.023 -7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 171 8.767 -3.955 -8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.674 -2.210 -8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 171 12.008 -1.786 -10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 171 10.854 -1.083 -9.130 1.00 0.00 H new ATOM 635 N ALA A 172 10.276 -0.847 -6.032 1.00 0.00 N ATOM 636 CA ALA A 172 10.015 0.483 -5.509 1.00 0.00 C ATOM 637 C ALA A 172 11.080 1.449 -6.033 1.00 0.00 C ATOM 638 O ALA A 172 12.094 1.023 -6.582 1.00 0.00 O ATOM 639 CB ALA A 172 9.976 0.431 -3.980 1.00 0.00 C ATOM 0 H ALA A 172 11.207 -1.211 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 172 9.045 0.846 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 172 9.780 1.429 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.185 -0.247 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 172 10.935 0.074 -3.604 1.00 0.00 H new ATOM 645 N GLU A 173 10.813 2.733 -5.843 1.00 0.00 N ATOM 646 CA GLU A 173 11.735 3.763 -6.289 1.00 0.00 C ATOM 647 C GLU A 173 12.417 4.421 -5.087 1.00 0.00 C ATOM 648 O GLU A 173 11.758 4.766 -4.107 1.00 0.00 O ATOM 649 CB GLU A 173 11.019 4.805 -7.151 1.00 0.00 C ATOM 650 CG GLU A 173 11.396 4.649 -8.625 1.00 0.00 C ATOM 651 CD GLU A 173 10.529 5.548 -9.510 1.00 0.00 C ATOM 652 OE1 GLU A 173 9.309 5.599 -9.245 1.00 0.00 O ATOM 653 OE2 GLU A 173 11.107 6.161 -10.433 1.00 0.00 O ATOM 0 H GLU A 173 9.971 3.083 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 173 12.502 3.294 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.940 4.699 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 173 11.280 5.807 -6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.447 4.901 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 173 11.275 3.609 -8.927 1.00 0.00 H new ATOM 660 N ASP A 174 13.728 4.575 -5.202 1.00 0.00 N ATOM 661 CA ASP A 174 14.506 5.186 -4.138 1.00 0.00 C ATOM 662 C ASP A 174 14.184 6.680 -4.070 1.00 0.00 C ATOM 663 O ASP A 174 13.673 7.254 -5.031 1.00 0.00 O ATOM 664 CB ASP A 174 16.006 5.036 -4.398 1.00 0.00 C ATOM 665 CG ASP A 174 16.870 4.912 -3.141 1.00 0.00 C ATOM 666 OD1 ASP A 174 17.079 5.957 -2.490 1.00 0.00 O ATOM 667 OD2 ASP A 174 17.303 3.773 -2.861 1.00 0.00 O ATOM 0 H ASP A 174 14.271 4.287 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 174 14.250 4.687 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 174 16.166 4.155 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.348 5.897 -4.972 1.00 0.00 H new ATOM 672 N SER A 175 14.497 7.268 -2.924 1.00 0.00 N ATOM 673 CA SER A 175 14.248 8.685 -2.719 1.00 0.00 C ATOM 674 C SER A 175 14.877 9.498 -3.853 1.00 0.00 C ATOM 675 O SER A 175 14.497 10.644 -4.084 1.00 0.00 O ATOM 676 CB SER A 175 14.795 9.149 -1.367 1.00 0.00 C ATOM 677 OG SER A 175 14.136 8.511 -0.277 1.00 0.00 O ATOM 0 H SER A 175 14.920 6.789 -2.129 1.00 0.00 H new ATOM 0 HA SER A 175 13.170 8.846 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 175 15.864 8.940 -1.317 1.00 0.00 H new ATOM 0 HB3 SER A 175 14.677 10.229 -1.280 1.00 0.00 H new ATOM 0 HG SER A 175 14.024 7.558 -0.475 1.00 0.00 H new ATOM 683 N GLU A 176 15.828 8.871 -4.529 1.00 0.00 N ATOM 684 CA GLU A 176 16.513 9.521 -5.634 1.00 0.00 C ATOM 685 C GLU A 176 15.669 9.434 -6.908 1.00 0.00 C ATOM 686 O GLU A 176 15.781 10.284 -7.790 1.00 0.00 O ATOM 687 CB GLU A 176 17.899 8.913 -5.853 1.00 0.00 C ATOM 688 CG GLU A 176 18.712 8.917 -4.556 1.00 0.00 C ATOM 689 CD GLU A 176 19.759 10.033 -4.568 1.00 0.00 C ATOM 690 OE1 GLU A 176 20.265 10.324 -5.674 1.00 0.00 O ATOM 691 OE2 GLU A 176 20.030 10.569 -3.472 1.00 0.00 O ATOM 0 H GLU A 176 16.141 7.920 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 176 16.649 10.573 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.798 7.892 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.430 9.476 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 176 18.044 9.049 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 176 19.204 7.953 -4.428 1.00 0.00 H new ATOM 698 N GLY A 177 14.843 8.400 -6.962 1.00 0.00 N ATOM 699 CA GLY A 177 13.979 8.192 -8.112 1.00 0.00 C ATOM 700 C GLY A 177 14.491 7.038 -8.978 1.00 0.00 C ATOM 701 O GLY A 177 14.306 7.043 -10.195 1.00 0.00 O ATOM 0 H GLY A 177 14.753 7.697 -6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 177 12.965 7.977 -7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 177 13.932 9.105 -8.706 1.00 0.00 H new ATOM 705 N LYS A 178 15.122 6.080 -8.319 1.00 0.00 N ATOM 706 CA LYS A 178 15.661 4.923 -9.013 1.00 0.00 C ATOM 707 C LYS A 178 14.695 3.746 -8.862 1.00 0.00 C ATOM 708 O LYS A 178 14.393 3.326 -7.746 1.00 0.00 O ATOM 709 CB LYS A 178 17.080 4.618 -8.528 1.00 0.00 C ATOM 710 CG LYS A 178 18.044 5.743 -8.913 1.00 0.00 C ATOM 711 CD LYS A 178 19.118 5.238 -9.878 1.00 0.00 C ATOM 712 CE LYS A 178 19.667 6.381 -10.735 1.00 0.00 C ATOM 713 NZ LYS A 178 20.788 7.056 -10.044 1.00 0.00 N ATOM 0 H LYS A 178 15.273 6.080 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 178 15.751 5.129 -10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 178 17.079 4.490 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.422 3.677 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 178 17.489 6.560 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 178 18.516 6.145 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 178 19.930 4.778 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 178 18.699 4.465 -10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 178 20.005 5.993 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 178 18.875 7.100 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 21.148 7.829 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 20.455 7.444 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 21.550 6.371 -9.868 1.00 0.00 H new ATOM 727 N ARG A 179 14.236 3.248 -10.001 1.00 0.00 N ATOM 728 CA ARG A 179 13.309 2.129 -10.009 1.00 0.00 C ATOM 729 C ARG A 179 14.075 0.805 -9.952 1.00 0.00 C ATOM 730 O ARG A 179 14.753 0.436 -10.910 1.00 0.00 O ATOM 731 CB ARG A 179 12.431 2.149 -11.262 1.00 0.00 C ATOM 732 CG ARG A 179 12.091 3.584 -11.669 1.00 0.00 C ATOM 733 CD ARG A 179 10.623 3.702 -12.083 1.00 0.00 C ATOM 734 NE ARG A 179 10.454 4.822 -13.036 1.00 0.00 N ATOM 735 CZ ARG A 179 10.670 4.725 -14.355 1.00 0.00 C ATOM 736 NH1 ARG A 179 11.065 3.561 -14.885 1.00 0.00 N ATOM 737 NH2 ARG A 179 10.492 5.794 -15.143 1.00 0.00 N ATOM 0 H ARG A 179 14.489 3.599 -10.925 1.00 0.00 H new ATOM 0 HA ARG A 179 12.670 2.222 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.947 1.647 -12.081 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.512 1.592 -11.076 1.00 0.00 H new ATOM 0 HG2 ARG A 179 12.294 4.259 -10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.732 3.893 -12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.290 2.771 -12.541 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.001 3.865 -11.203 1.00 0.00 H new ATOM 0 HE ARG A 179 10.154 5.724 -12.666 1.00 0.00 H new ATOM 0 HH11 ARG A 179 11.202 2.748 -14.285 1.00 0.00 H new ATOM 0 HH12 ARG A 179 11.229 3.487 -15.889 1.00 0.00 H new ATOM 0 HH21 ARG A 179 10.192 6.681 -14.739 1.00 0.00 H new ATOM 0 HH22 ARG A 179 10.656 5.721 -16.147 1.00 0.00 H new ATOM 751 N GLY A 180 13.942 0.129 -8.821 1.00 0.00 N ATOM 752 CA GLY A 180 14.613 -1.145 -8.627 1.00 0.00 C ATOM 753 C GLY A 180 13.790 -2.068 -7.728 1.00 0.00 C ATOM 754 O GLY A 180 12.674 -1.726 -7.338 1.00 0.00 O ATOM 0 H GLY A 180 13.379 0.439 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.777 -1.624 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.594 -0.979 -8.182 1.00 0.00 H new ATOM 758 N MET A 181 14.372 -3.219 -7.422 1.00 0.00 N ATOM 759 CA MET A 181 13.705 -4.192 -6.575 1.00 0.00 C ATOM 760 C MET A 181 14.004 -3.930 -5.098 1.00 0.00 C ATOM 761 O MET A 181 15.099 -3.487 -4.751 1.00 0.00 O ATOM 762 CB MET A 181 14.174 -5.600 -6.948 1.00 0.00 C ATOM 763 CG MET A 181 14.186 -5.789 -8.466 1.00 0.00 C ATOM 764 SD MET A 181 13.125 -7.150 -8.920 1.00 0.00 S ATOM 765 CE MET A 181 11.528 -6.381 -8.711 1.00 0.00 C ATOM 0 H MET A 181 15.298 -3.499 -7.746 1.00 0.00 H new ATOM 0 HA MET A 181 12.630 -4.104 -6.730 1.00 0.00 H new ATOM 0 HB2 MET A 181 15.173 -5.772 -6.549 1.00 0.00 H new ATOM 0 HB3 MET A 181 13.516 -6.339 -6.491 1.00 0.00 H new ATOM 0 HG2 MET A 181 13.850 -4.876 -8.957 1.00 0.00 H new ATOM 0 HG3 MET A 181 15.203 -5.980 -8.809 1.00 0.00 H new ATOM 0 HE1 MET A 181 10.942 -6.950 -7.990 1.00 0.00 H new ATOM 0 HE2 MET A 181 11.660 -5.362 -8.348 1.00 0.00 H new ATOM 0 HE3 MET A 181 11.006 -6.361 -9.668 1.00 0.00 H new ATOM 775 N ILE A 182 13.013 -4.213 -4.266 1.00 0.00 N ATOM 776 CA ILE A 182 13.156 -4.013 -2.834 1.00 0.00 C ATOM 777 C ILE A 182 12.504 -5.182 -2.093 1.00 0.00 C ATOM 778 O ILE A 182 11.491 -5.718 -2.539 1.00 0.00 O ATOM 779 CB ILE A 182 12.608 -2.644 -2.427 1.00 0.00 C ATOM 780 CG1 ILE A 182 13.463 -1.516 -3.008 1.00 0.00 C ATOM 781 CG2 ILE A 182 12.474 -2.537 -0.907 1.00 0.00 C ATOM 782 CD1 ILE A 182 13.057 -1.208 -4.451 1.00 0.00 C ATOM 0 H ILE A 182 12.107 -4.580 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 182 14.209 -4.005 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 182 11.608 -2.538 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 182 13.354 -0.620 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 182 14.515 -1.798 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 182 12.082 -1.554 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 182 11.792 -3.307 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 182 13.452 -2.673 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 182 13.680 -0.403 -4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 182 13.190 -2.099 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 182 12.011 -0.903 -4.477 1.00 0.00 H new ATOM 794 N PRO A 183 13.128 -5.552 -0.942 1.00 0.00 N ATOM 795 CA PRO A 183 12.619 -6.648 -0.134 1.00 0.00 C ATOM 796 C PRO A 183 11.369 -6.224 0.640 1.00 0.00 C ATOM 797 O PRO A 183 11.197 -5.046 0.951 1.00 0.00 O ATOM 798 CB PRO A 183 13.775 -7.038 0.772 1.00 0.00 C ATOM 799 CG PRO A 183 14.727 -5.853 0.767 1.00 0.00 C ATOM 800 CD PRO A 183 14.330 -4.941 -0.383 1.00 0.00 C ATOM 0 HA PRO A 183 12.296 -7.499 -0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.425 -7.253 1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.270 -7.938 0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 183 14.675 -5.317 1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 183 15.757 -6.191 0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.134 -3.927 -0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.123 -4.874 -1.128 1.00 0.00 H new ATOM 808 N VAL A 184 10.528 -7.207 0.927 1.00 0.00 N ATOM 809 CA VAL A 184 9.299 -6.950 1.659 1.00 0.00 C ATOM 810 C VAL A 184 9.581 -7.018 3.161 1.00 0.00 C ATOM 811 O VAL A 184 9.047 -6.223 3.933 1.00 0.00 O ATOM 812 CB VAL A 184 8.209 -7.926 1.210 1.00 0.00 C ATOM 813 CG1 VAL A 184 7.196 -8.168 2.330 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.517 -7.429 -0.060 1.00 0.00 C ATOM 0 H VAL A 184 10.673 -8.182 0.666 1.00 0.00 H new ATOM 0 HA VAL A 184 8.928 -5.948 1.443 1.00 0.00 H new ATOM 0 HB VAL A 184 8.686 -8.879 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.432 -8.865 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.706 -8.588 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.727 -7.224 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 184 6.747 -8.141 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.059 -6.458 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.251 -7.333 -0.860 1.00 0.00 H new ATOM 824 N PRO A 185 10.442 -7.999 3.540 1.00 0.00 N ATOM 825 CA PRO A 185 10.802 -8.182 4.936 1.00 0.00 C ATOM 826 C PRO A 185 11.780 -7.098 5.396 1.00 0.00 C ATOM 827 O PRO A 185 11.631 -6.543 6.483 1.00 0.00 O ATOM 828 CB PRO A 185 11.387 -9.582 5.012 1.00 0.00 C ATOM 829 CG PRO A 185 11.762 -9.956 3.587 1.00 0.00 C ATOM 830 CD PRO A 185 11.093 -8.960 2.653 1.00 0.00 C ATOM 0 HA PRO A 185 9.948 -8.086 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.260 -9.605 5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.663 -10.286 5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.844 -9.933 3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.436 -10.971 3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.822 -8.471 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.370 -9.451 2.002 1.00 0.00 H new ATOM 838 N TYR A 186 12.760 -6.831 4.546 1.00 0.00 N ATOM 839 CA TYR A 186 13.762 -5.826 4.850 1.00 0.00 C ATOM 840 C TYR A 186 13.236 -4.419 4.554 1.00 0.00 C ATOM 841 O TYR A 186 13.966 -3.577 4.034 1.00 0.00 O ATOM 842 CB TYR A 186 14.948 -6.117 3.929 1.00 0.00 C ATOM 843 CG TYR A 186 16.067 -6.924 4.591 1.00 0.00 C ATOM 844 CD1 TYR A 186 15.775 -8.114 5.227 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.366 -6.462 4.553 1.00 0.00 C ATOM 846 CE1 TYR A 186 16.829 -8.874 5.850 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.420 -7.221 5.177 1.00 0.00 C ATOM 848 CZ TYR A 186 18.099 -8.389 5.794 1.00 0.00 C ATOM 849 OH TYR A 186 19.093 -9.106 6.383 1.00 0.00 O ATOM 0 H TYR A 186 12.881 -7.294 3.645 1.00 0.00 H new ATOM 0 HA TYR A 186 14.033 -5.864 5.905 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.591 -6.660 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.358 -5.172 3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 186 14.758 -8.475 5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.593 -5.531 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 186 16.616 -9.807 6.350 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.441 -6.870 5.155 1.00 0.00 H new ATOM 0 HH TYR A 186 19.060 -8.975 7.354 1.00 0.00 H new ATOM 859 N VAL A 187 11.974 -4.210 4.899 1.00 0.00 N ATOM 860 CA VAL A 187 11.342 -2.921 4.676 1.00 0.00 C ATOM 861 C VAL A 187 10.181 -2.750 5.659 1.00 0.00 C ATOM 862 O VAL A 187 9.728 -3.720 6.264 1.00 0.00 O ATOM 863 CB VAL A 187 10.910 -2.795 3.214 1.00 0.00 C ATOM 864 CG1 VAL A 187 12.093 -3.022 2.271 1.00 0.00 C ATOM 865 CG2 VAL A 187 9.763 -3.758 2.896 1.00 0.00 C ATOM 0 H VAL A 187 11.372 -4.911 5.331 1.00 0.00 H new ATOM 0 HA VAL A 187 12.049 -2.112 4.863 1.00 0.00 H new ATOM 0 HB VAL A 187 10.548 -1.779 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 187 11.758 -2.927 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 187 12.866 -2.280 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 187 12.499 -4.021 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 187 9.475 -3.648 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.087 -4.783 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 187 8.909 -3.530 3.534 1.00 0.00 H new ATOM 875 N GLU A 188 9.735 -1.510 5.787 1.00 0.00 N ATOM 876 CA GLU A 188 8.636 -1.199 6.686 1.00 0.00 C ATOM 877 C GLU A 188 7.676 -0.205 6.029 1.00 0.00 C ATOM 878 O GLU A 188 7.768 0.050 4.829 1.00 0.00 O ATOM 879 CB GLU A 188 9.155 -0.659 8.020 1.00 0.00 C ATOM 880 CG GLU A 188 10.173 -1.618 8.641 1.00 0.00 C ATOM 881 CD GLU A 188 9.477 -2.669 9.509 1.00 0.00 C ATOM 882 OE1 GLU A 188 8.904 -2.263 10.543 1.00 0.00 O ATOM 883 OE2 GLU A 188 9.534 -3.855 9.118 1.00 0.00 O ATOM 0 H GLU A 188 10.114 -0.708 5.283 1.00 0.00 H new ATOM 0 HA GLU A 188 8.090 -2.120 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 188 9.616 0.317 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 188 8.321 -0.514 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 188 10.742 -2.111 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.886 -1.056 9.245 1.00 0.00 H new ATOM 890 N LYS A 189 6.777 0.326 6.843 1.00 0.00 N ATOM 891 CA LYS A 189 5.800 1.286 6.355 1.00 0.00 C ATOM 892 C LYS A 189 6.222 2.695 6.777 1.00 0.00 C ATOM 893 O LYS A 189 6.667 2.902 7.905 1.00 0.00 O ATOM 894 CB LYS A 189 4.393 0.901 6.815 1.00 0.00 C ATOM 895 CG LYS A 189 3.625 0.193 5.698 1.00 0.00 C ATOM 896 CD LYS A 189 4.213 -1.192 5.420 1.00 0.00 C ATOM 897 CE LYS A 189 3.107 -2.214 5.153 1.00 0.00 C ATOM 898 NZ LYS A 189 3.688 -3.516 4.756 1.00 0.00 N ATOM 0 H LYS A 189 6.704 0.110 7.837 1.00 0.00 H new ATOM 0 HA LYS A 189 5.767 1.275 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 189 4.457 0.249 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.851 1.794 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 189 2.576 0.097 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 189 3.659 0.795 4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 189 4.881 -1.141 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 189 4.813 -1.514 6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 189 2.496 -2.339 6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 189 2.448 -1.848 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 2.923 -4.198 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 4.252 -3.395 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 4.298 -3.871 5.520 1.00 0.00 H new