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+ 160:sc= -0.419 (180deg=-0.828) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 ASN : amide:sc= -0.838 K(o=-0.84,f=-2.5!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0291) USER MOD Single : A 181 MET CE :methyl 161:sc= -10.9! (180deg=-11.6!) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ 131:sc= 1.9 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 136 5.036 3.306 -0.208 1.00 0.00 N ATOM 27 CA TYR A 136 6.191 3.753 0.552 1.00 0.00 C ATOM 28 C TYR A 136 6.696 2.647 1.481 1.00 0.00 C ATOM 29 O TYR A 136 5.914 2.036 2.207 1.00 0.00 O ATOM 30 CB TYR A 136 5.707 4.932 1.399 1.00 0.00 C ATOM 31 CG TYR A 136 4.185 5.076 1.454 1.00 0.00 C ATOM 32 CD1 TYR A 136 3.412 4.043 1.944 1.00 0.00 C ATOM 33 CD2 TYR A 136 3.585 6.239 1.014 1.00 0.00 C ATOM 34 CE1 TYR A 136 1.979 4.179 1.996 1.00 0.00 C ATOM 35 CE2 TYR A 136 2.153 6.374 1.066 1.00 0.00 C ATOM 36 CZ TYR A 136 1.421 5.338 1.555 1.00 0.00 C ATOM 37 OH TYR A 136 0.068 5.466 1.604 1.00 0.00 O ATOM 0 HA TYR A 136 7.009 4.025 -0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 136 6.088 4.817 2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 136 6.134 5.852 1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 136 3.881 3.133 2.288 1.00 0.00 H new ATOM 0 HD2 TYR A 136 4.190 7.047 0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 136 1.362 3.379 2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.671 7.278 0.724 1.00 0.00 H new ATOM 0 HH TYR A 136 -0.190 6.346 1.258 1.00 0.00 H new ATOM 47 N VAL A 137 8.001 2.423 1.426 1.00 0.00 N ATOM 48 CA VAL A 137 8.621 1.401 2.253 1.00 0.00 C ATOM 49 C VAL A 137 9.808 2.009 3.002 1.00 0.00 C ATOM 50 O VAL A 137 10.351 3.031 2.587 1.00 0.00 O ATOM 51 CB VAL A 137 9.008 0.197 1.394 1.00 0.00 C ATOM 52 CG1 VAL A 137 7.806 -0.722 1.163 1.00 0.00 C ATOM 53 CG2 VAL A 137 9.619 0.645 0.065 1.00 0.00 C ATOM 0 H VAL A 137 8.646 2.932 0.822 1.00 0.00 H new ATOM 0 HA VAL A 137 7.918 1.036 3.001 1.00 0.00 H new ATOM 0 HB VAL A 137 9.764 -0.371 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 137 8.109 -1.570 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 137 7.434 -1.083 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 137 7.018 -0.169 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 137 9.885 -0.231 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.895 1.247 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 137 10.513 1.238 0.257 1.00 0.00 H new ATOM 63 N ARG A 138 10.177 1.354 4.093 1.00 0.00 N ATOM 64 CA ARG A 138 11.291 1.816 4.903 1.00 0.00 C ATOM 65 C ARG A 138 12.270 0.670 5.163 1.00 0.00 C ATOM 66 O ARG A 138 11.895 -0.358 5.725 1.00 0.00 O ATOM 67 CB ARG A 138 10.803 2.374 6.242 1.00 0.00 C ATOM 68 CG ARG A 138 11.968 2.556 7.217 1.00 0.00 C ATOM 69 CD ARG A 138 12.823 3.765 6.830 1.00 0.00 C ATOM 70 NE ARG A 138 11.987 4.781 6.155 1.00 0.00 N ATOM 71 CZ ARG A 138 11.723 5.994 6.660 1.00 0.00 C ATOM 72 NH1 ARG A 138 12.228 6.349 7.848 1.00 0.00 N ATOM 73 NH2 ARG A 138 10.953 6.851 5.976 1.00 0.00 N ATOM 0 H ARG A 138 9.724 0.507 4.435 1.00 0.00 H new ATOM 0 HA ARG A 138 11.795 2.610 4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 138 10.305 3.330 6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.064 1.699 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.583 2.687 8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 138 12.585 1.657 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 138 13.284 4.194 7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 138 13.633 3.452 6.171 1.00 0.00 H new ATOM 0 HE ARG A 138 11.586 4.544 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 138 12.814 5.696 8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 138 12.027 7.272 8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 138 10.568 6.580 5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 138 10.752 7.774 6.360 1.00 0.00 H new ATOM 87 N ALA A 139 13.508 0.885 4.741 1.00 0.00 N ATOM 88 CA ALA A 139 14.545 -0.117 4.921 1.00 0.00 C ATOM 89 C ALA A 139 15.179 0.053 6.303 1.00 0.00 C ATOM 90 O ALA A 139 15.627 1.144 6.653 1.00 0.00 O ATOM 91 CB ALA A 139 15.569 -0.002 3.791 1.00 0.00 C ATOM 0 H ALA A 139 13.816 1.738 4.275 1.00 0.00 H new ATOM 0 HA ALA A 139 14.121 -1.120 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.346 -0.754 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 139 15.073 -0.161 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 139 16.018 0.991 3.807 1.00 0.00 H new ATOM 97 N LEU A 140 15.196 -1.041 7.050 1.00 0.00 N ATOM 98 CA LEU A 140 15.769 -1.026 8.386 1.00 0.00 C ATOM 99 C LEU A 140 16.692 -2.234 8.554 1.00 0.00 C ATOM 100 O LEU A 140 16.922 -2.693 9.671 1.00 0.00 O ATOM 101 CB LEU A 140 14.664 -0.945 9.441 1.00 0.00 C ATOM 102 CG LEU A 140 13.232 -0.860 8.908 1.00 0.00 C ATOM 103 CD1 LEU A 140 12.773 -2.209 8.350 1.00 0.00 C ATOM 104 CD2 LEU A 140 12.278 -0.330 9.981 1.00 0.00 C ATOM 0 H LEU A 140 14.822 -1.943 6.756 1.00 0.00 H new ATOM 0 HA LEU A 140 16.381 -0.135 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.739 -1.821 10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.850 -0.072 10.067 1.00 0.00 H new ATOM 0 HG LEU A 140 13.217 -0.148 8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.752 -2.121 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.432 -2.509 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 140 12.808 -2.960 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.267 -0.279 9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 140 12.291 -0.998 10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.595 0.666 10.290 1.00 0.00 H new ATOM 116 N PHE A 141 17.197 -2.713 7.427 1.00 0.00 N ATOM 117 CA PHE A 141 18.092 -3.859 7.435 1.00 0.00 C ATOM 118 C PHE A 141 19.189 -3.706 6.380 1.00 0.00 C ATOM 119 O PHE A 141 20.040 -4.581 6.233 1.00 0.00 O ATOM 120 CB PHE A 141 17.246 -5.089 7.100 1.00 0.00 C ATOM 121 CG PHE A 141 17.535 -6.303 7.984 1.00 0.00 C ATOM 122 CD1 PHE A 141 18.725 -6.953 7.879 1.00 0.00 C ATOM 123 CD2 PHE A 141 16.603 -6.733 8.876 1.00 0.00 C ATOM 124 CE1 PHE A 141 18.994 -8.080 8.700 1.00 0.00 C ATOM 125 CE2 PHE A 141 16.872 -7.860 9.697 1.00 0.00 C ATOM 126 CZ PHE A 141 18.062 -8.510 9.591 1.00 0.00 C ATOM 0 H PHE A 141 17.004 -2.329 6.502 1.00 0.00 H new ATOM 0 HA PHE A 141 18.573 -3.949 8.409 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.192 -4.828 7.192 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.417 -5.362 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 141 19.466 -6.612 7.171 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.658 -6.217 8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 141 19.939 -8.596 8.616 1.00 0.00 H new ATOM 0 HE2 PHE A 141 16.132 -8.201 10.406 1.00 0.00 H new ATOM 0 HZ PHE A 141 18.266 -9.368 10.215 1.00 0.00 H new ATOM 136 N ASP A 142 19.131 -2.588 5.670 1.00 0.00 N ATOM 137 CA ASP A 142 20.109 -2.310 4.632 1.00 0.00 C ATOM 138 C ASP A 142 20.198 -3.509 3.686 1.00 0.00 C ATOM 139 O ASP A 142 19.692 -4.588 3.995 1.00 0.00 O ATOM 140 CB ASP A 142 21.497 -2.077 5.232 1.00 0.00 C ATOM 141 CG ASP A 142 21.513 -1.266 6.528 1.00 0.00 C ATOM 142 OD1 ASP A 142 21.217 -1.872 7.581 1.00 0.00 O ATOM 143 OD2 ASP A 142 21.822 -0.058 6.439 1.00 0.00 O ATOM 0 H ASP A 142 18.422 -1.865 5.793 1.00 0.00 H new ATOM 0 HA ASP A 142 19.791 -1.413 4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.962 -3.045 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 142 22.114 -1.566 4.493 1.00 0.00 H new ATOM 148 N PHE A 143 20.845 -3.281 2.553 1.00 0.00 N ATOM 149 CA PHE A 143 21.006 -4.330 1.559 1.00 0.00 C ATOM 150 C PHE A 143 22.026 -3.922 0.494 1.00 0.00 C ATOM 151 O PHE A 143 22.811 -4.750 0.034 1.00 0.00 O ATOM 152 CB PHE A 143 19.643 -4.529 0.894 1.00 0.00 C ATOM 153 CG PHE A 143 19.622 -5.634 -0.164 1.00 0.00 C ATOM 154 CD1 PHE A 143 20.278 -5.460 -1.343 1.00 0.00 C ATOM 155 CD2 PHE A 143 18.950 -6.791 0.075 1.00 0.00 C ATOM 156 CE1 PHE A 143 20.259 -6.485 -2.324 1.00 0.00 C ATOM 157 CE2 PHE A 143 18.930 -7.818 -0.907 1.00 0.00 C ATOM 158 CZ PHE A 143 19.586 -7.643 -2.086 1.00 0.00 C ATOM 0 H PHE A 143 21.264 -2.386 2.301 1.00 0.00 H new ATOM 0 HA PHE A 143 21.363 -5.243 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 143 18.906 -4.762 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.336 -3.591 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 143 20.813 -4.541 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 143 18.431 -6.930 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 143 20.779 -6.346 -3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 143 18.395 -8.737 -0.718 1.00 0.00 H new ATOM 0 HZ PHE A 143 19.572 -8.423 -2.833 1.00 0.00 H new ATOM 245 N ASP A 150 18.832 -5.105 -7.595 1.00 0.00 N ATOM 246 CA ASP A 150 17.928 -4.667 -6.546 1.00 0.00 C ATOM 247 C ASP A 150 18.274 -3.230 -6.149 1.00 0.00 C ATOM 248 O ASP A 150 19.380 -2.760 -6.409 1.00 0.00 O ATOM 249 CB ASP A 150 18.063 -5.547 -5.301 1.00 0.00 C ATOM 250 CG ASP A 150 17.620 -7.000 -5.485 1.00 0.00 C ATOM 251 OD1 ASP A 150 16.808 -7.233 -6.406 1.00 0.00 O ATOM 252 OD2 ASP A 150 18.103 -7.844 -4.700 1.00 0.00 O ATOM 0 HA ASP A 150 16.909 -4.735 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 150 19.105 -5.538 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 150 17.477 -5.104 -4.496 1.00 0.00 H new ATOM 257 N LEU A 151 17.306 -2.574 -5.524 1.00 0.00 N ATOM 258 CA LEU A 151 17.494 -1.201 -5.089 1.00 0.00 C ATOM 259 C LEU A 151 18.301 -1.188 -3.788 1.00 0.00 C ATOM 260 O LEU A 151 17.891 -1.783 -2.793 1.00 0.00 O ATOM 261 CB LEU A 151 16.148 -0.483 -4.983 1.00 0.00 C ATOM 262 CG LEU A 151 16.076 0.663 -3.973 1.00 0.00 C ATOM 263 CD1 LEU A 151 17.235 1.642 -4.170 1.00 0.00 C ATOM 264 CD2 LEU A 151 14.717 1.364 -4.035 1.00 0.00 C ATOM 0 H LEU A 151 16.390 -2.968 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 151 18.070 -0.644 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 151 15.890 -0.091 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 151 15.386 -1.218 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 151 16.177 0.243 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 151 17.160 2.447 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 151 18.181 1.118 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 151 17.191 2.060 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 151 14.692 2.175 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 151 14.562 1.769 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.927 0.648 -3.807 1.00 0.00 H new ATOM 276 N PRO A 152 19.465 -0.485 -3.841 1.00 0.00 N ATOM 277 CA PRO A 152 20.333 -0.388 -2.680 1.00 0.00 C ATOM 278 C PRO A 152 19.755 0.577 -1.643 1.00 0.00 C ATOM 279 O PRO A 152 19.370 1.697 -1.979 1.00 0.00 O ATOM 280 CB PRO A 152 21.676 0.063 -3.229 1.00 0.00 C ATOM 281 CG PRO A 152 21.389 0.648 -4.603 1.00 0.00 C ATOM 282 CD PRO A 152 19.983 0.231 -5.002 1.00 0.00 C ATOM 0 HA PRO A 152 20.433 -1.335 -2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 152 22.135 0.806 -2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 152 22.371 -0.774 -3.298 1.00 0.00 H new ATOM 0 HG2 PRO A 152 21.473 1.735 -4.581 1.00 0.00 H new ATOM 0 HG3 PRO A 152 22.115 0.287 -5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 152 19.366 1.097 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 152 19.995 -0.405 -5.887 1.00 0.00 H new ATOM 290 N PHE A 153 19.714 0.111 -0.404 1.00 0.00 N ATOM 291 CA PHE A 153 19.191 0.920 0.684 1.00 0.00 C ATOM 292 C PHE A 153 19.905 0.600 1.998 1.00 0.00 C ATOM 293 O PHE A 153 20.625 -0.393 2.092 1.00 0.00 O ATOM 294 CB PHE A 153 17.707 0.574 0.825 1.00 0.00 C ATOM 295 CG PHE A 153 17.433 -0.920 1.016 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.642 -1.500 2.228 1.00 0.00 C ATOM 297 CD2 PHE A 153 16.980 -1.667 -0.026 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.388 -2.885 2.406 1.00 0.00 C ATOM 299 CE2 PHE A 153 16.725 -3.053 0.152 1.00 0.00 C ATOM 300 CZ PHE A 153 16.934 -3.632 1.364 1.00 0.00 C ATOM 0 H PHE A 153 20.035 -0.817 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 153 19.343 1.977 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 153 17.296 1.120 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 153 17.178 0.920 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 153 18.001 -0.906 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 153 16.814 -1.207 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 153 17.555 -3.346 3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 153 16.365 -3.647 -0.675 1.00 0.00 H new ATOM 0 HZ PHE A 153 16.739 -4.686 1.500 1.00 0.00 H new ATOM 310 N LYS A 154 19.680 1.460 2.982 1.00 0.00 N ATOM 311 CA LYS A 154 20.293 1.280 4.287 1.00 0.00 C ATOM 312 C LYS A 154 19.203 1.280 5.360 1.00 0.00 C ATOM 313 O LYS A 154 18.037 1.539 5.068 1.00 0.00 O ATOM 314 CB LYS A 154 21.382 2.330 4.516 1.00 0.00 C ATOM 315 CG LYS A 154 22.553 2.125 3.553 1.00 0.00 C ATOM 316 CD LYS A 154 23.327 3.428 3.345 1.00 0.00 C ATOM 317 CE LYS A 154 24.633 3.424 4.142 1.00 0.00 C ATOM 318 NZ LYS A 154 25.778 3.106 3.260 1.00 0.00 N ATOM 0 H LYS A 154 19.082 2.282 2.901 1.00 0.00 H new ATOM 0 HA LYS A 154 20.797 0.315 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 154 20.965 3.328 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 154 21.738 2.271 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 154 23.222 1.359 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 154 22.181 1.762 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 154 23.544 3.561 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 154 22.712 4.274 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 154 24.785 4.398 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 154 24.572 2.692 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 26.656 3.108 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 25.639 2.167 2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 25.845 3.820 2.507 1.00 0.00 H new ATOM 332 N LYS A 155 19.622 0.985 6.583 1.00 0.00 N ATOM 333 CA LYS A 155 18.697 0.947 7.702 1.00 0.00 C ATOM 334 C LYS A 155 18.130 2.349 7.938 1.00 0.00 C ATOM 335 O LYS A 155 18.740 3.159 8.635 1.00 0.00 O ATOM 336 CB LYS A 155 19.371 0.341 8.935 1.00 0.00 C ATOM 337 CG LYS A 155 20.159 1.402 9.706 1.00 0.00 C ATOM 338 CD LYS A 155 21.424 1.806 8.947 1.00 0.00 C ATOM 339 CE LYS A 155 21.193 3.086 8.141 1.00 0.00 C ATOM 340 NZ LYS A 155 22.466 3.570 7.562 1.00 0.00 N ATOM 0 H LYS A 155 20.590 0.770 6.822 1.00 0.00 H new ATOM 0 HA LYS A 155 17.853 0.295 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 155 18.617 -0.101 9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.040 -0.464 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 155 19.532 2.279 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 155 20.428 1.017 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 155 22.242 1.958 9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 155 21.724 1.000 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 155 20.473 2.897 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 155 20.763 3.855 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 22.265 4.210 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 23.007 4.080 8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 23.023 2.760 7.221 1.00 0.00 H new ATOM 354 N GLY A 156 16.971 2.591 7.345 1.00 0.00 N ATOM 355 CA GLY A 156 16.316 3.881 7.482 1.00 0.00 C ATOM 356 C GLY A 156 16.006 4.487 6.111 1.00 0.00 C ATOM 357 O GLY A 156 15.640 5.657 6.015 1.00 0.00 O ATOM 0 H GLY A 156 16.468 1.916 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 156 15.393 3.766 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 156 16.955 4.559 8.047 1.00 0.00 H new ATOM 361 N ASP A 157 16.166 3.663 5.087 1.00 0.00 N ATOM 362 CA ASP A 157 15.908 4.103 3.726 1.00 0.00 C ATOM 363 C ASP A 157 14.397 4.176 3.495 1.00 0.00 C ATOM 364 O ASP A 157 13.632 3.467 4.147 1.00 0.00 O ATOM 365 CB ASP A 157 16.495 3.123 2.709 1.00 0.00 C ATOM 366 CG ASP A 157 17.607 3.693 1.827 1.00 0.00 C ATOM 367 OD1 ASP A 157 18.763 3.694 2.300 1.00 0.00 O ATOM 368 OD2 ASP A 157 17.274 4.118 0.698 1.00 0.00 O ATOM 0 H ASP A 157 16.471 2.693 5.172 1.00 0.00 H new ATOM 0 HA ASP A 157 16.373 5.080 3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 157 16.885 2.257 3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 157 15.691 2.765 2.067 1.00 0.00 H new ATOM 373 N ILE A 158 14.013 5.040 2.567 1.00 0.00 N ATOM 374 CA ILE A 158 12.607 5.214 2.242 1.00 0.00 C ATOM 375 C ILE A 158 12.439 5.240 0.722 1.00 0.00 C ATOM 376 O ILE A 158 13.130 5.986 0.030 1.00 0.00 O ATOM 377 CB ILE A 158 12.045 6.452 2.944 1.00 0.00 C ATOM 378 CG1 ILE A 158 10.547 6.603 2.671 1.00 0.00 C ATOM 379 CG2 ILE A 158 12.828 7.707 2.555 1.00 0.00 C ATOM 380 CD1 ILE A 158 9.755 5.461 3.313 1.00 0.00 C ATOM 0 H ILE A 158 14.651 5.627 2.030 1.00 0.00 H new ATOM 0 HA ILE A 158 12.023 4.372 2.613 1.00 0.00 H new ATOM 0 HB ILE A 158 12.165 6.319 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 158 10.197 7.558 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 158 10.369 6.614 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 158 12.407 8.572 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 158 13.873 7.588 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 158 12.763 7.857 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 158 8.693 5.592 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 158 10.091 4.509 2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 158 9.916 5.468 4.391 1.00 0.00 H new ATOM 392 N LEU A 159 11.516 4.416 0.246 1.00 0.00 N ATOM 393 CA LEU A 159 11.248 4.336 -1.180 1.00 0.00 C ATOM 394 C LEU A 159 9.738 4.259 -1.406 1.00 0.00 C ATOM 395 O LEU A 159 8.963 4.230 -0.451 1.00 0.00 O ATOM 396 CB LEU A 159 12.023 3.175 -1.806 1.00 0.00 C ATOM 397 CG LEU A 159 12.743 2.244 -0.828 1.00 0.00 C ATOM 398 CD1 LEU A 159 12.844 0.826 -1.394 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.113 2.806 -0.443 1.00 0.00 C ATOM 0 H LEU A 159 10.945 3.798 0.823 1.00 0.00 H new ATOM 0 HA LEU A 159 11.602 5.235 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.329 2.580 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.761 3.586 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 159 12.151 2.185 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 159 13.360 0.185 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 159 11.843 0.435 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 159 13.401 0.847 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 159 14.603 2.125 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 159 14.726 2.914 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 159 13.987 3.780 0.031 1.00 0.00 H new ATOM 411 N ARG A 160 9.362 4.229 -2.677 1.00 0.00 N ATOM 412 CA ARG A 160 7.958 4.156 -3.042 1.00 0.00 C ATOM 413 C ARG A 160 7.704 2.940 -3.935 1.00 0.00 C ATOM 414 O ARG A 160 8.512 2.628 -4.808 1.00 0.00 O ATOM 415 CB ARG A 160 7.513 5.422 -3.776 1.00 0.00 C ATOM 416 CG ARG A 160 6.136 5.230 -4.415 1.00 0.00 C ATOM 417 CD ARG A 160 6.222 5.323 -5.940 1.00 0.00 C ATOM 418 NE ARG A 160 4.954 4.864 -6.548 1.00 0.00 N ATOM 419 CZ ARG A 160 3.886 5.649 -6.744 1.00 0.00 C ATOM 420 NH1 ARG A 160 3.927 6.938 -6.381 1.00 0.00 N ATOM 421 NH2 ARG A 160 2.776 5.145 -7.302 1.00 0.00 N ATOM 0 H ARG A 160 10.007 4.254 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 160 7.381 4.062 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 160 7.481 6.259 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 160 8.242 5.676 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.730 4.260 -4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.448 5.987 -4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.427 6.351 -6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.050 4.715 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 160 4.889 3.888 -6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.771 7.321 -5.956 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.114 7.536 -6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.744 4.163 -7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 160 1.963 5.743 -7.451 1.00 0.00 H new ATOM 435 N ILE A 161 6.577 2.288 -3.687 1.00 0.00 N ATOM 436 CA ILE A 161 6.207 1.114 -4.458 1.00 0.00 C ATOM 437 C ILE A 161 5.511 1.555 -5.748 1.00 0.00 C ATOM 438 O ILE A 161 4.462 2.196 -5.704 1.00 0.00 O ATOM 439 CB ILE A 161 5.373 0.154 -3.607 1.00 0.00 C ATOM 440 CG1 ILE A 161 6.172 -1.100 -3.253 1.00 0.00 C ATOM 441 CG2 ILE A 161 4.050 -0.183 -4.298 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.478 -0.737 -2.543 1.00 0.00 C ATOM 0 H ILE A 161 5.908 2.551 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 161 7.096 0.554 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 161 5.128 0.653 -2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.574 -1.748 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 161 6.392 -1.663 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.477 -0.867 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.478 0.732 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.252 -0.654 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 161 8.027 -1.648 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 161 8.085 -0.109 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 161 7.254 -0.195 -1.624 1.00 0.00 H new ATOM 454 N ARG A 162 6.124 1.195 -6.866 1.00 0.00 N ATOM 455 CA ARG A 162 5.576 1.544 -8.166 1.00 0.00 C ATOM 456 C ARG A 162 4.900 0.328 -8.802 1.00 0.00 C ATOM 457 O ARG A 162 3.786 0.431 -9.315 1.00 0.00 O ATOM 458 CB ARG A 162 6.670 2.060 -9.103 1.00 0.00 C ATOM 459 CG ARG A 162 6.146 2.194 -10.534 1.00 0.00 C ATOM 460 CD ARG A 162 6.302 3.628 -11.043 1.00 0.00 C ATOM 461 NE ARG A 162 6.667 3.620 -12.478 1.00 0.00 N ATOM 462 CZ ARG A 162 6.405 4.625 -13.325 1.00 0.00 C ATOM 463 NH1 ARG A 162 5.777 5.724 -12.888 1.00 0.00 N ATOM 464 NH2 ARG A 162 6.773 4.530 -14.610 1.00 0.00 N ATOM 0 H ARG A 162 6.995 0.665 -6.899 1.00 0.00 H new ATOM 0 HA ARG A 162 4.840 2.334 -8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.029 3.027 -8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.520 1.378 -9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 162 6.687 1.511 -11.189 1.00 0.00 H new ATOM 0 HG3 ARG A 162 5.096 1.904 -10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 162 5.371 4.177 -10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.069 4.145 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 162 7.148 2.799 -12.845 1.00 0.00 H new ATOM 0 HH11 ARG A 162 5.498 5.797 -11.910 1.00 0.00 H new ATOM 0 HH12 ARG A 162 5.578 6.488 -13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 162 7.252 3.693 -14.943 1.00 0.00 H new ATOM 0 HH22 ARG A 162 6.574 5.294 -15.255 1.00 0.00 H new ATOM 478 N ASP A 163 5.601 -0.794 -8.749 1.00 0.00 N ATOM 479 CA ASP A 163 5.082 -2.028 -9.314 1.00 0.00 C ATOM 480 C ASP A 163 5.576 -3.212 -8.480 1.00 0.00 C ATOM 481 O ASP A 163 6.524 -3.080 -7.707 1.00 0.00 O ATOM 482 CB ASP A 163 5.572 -2.225 -10.751 1.00 0.00 C ATOM 483 CG ASP A 163 6.703 -1.289 -11.182 1.00 0.00 C ATOM 484 OD1 ASP A 163 7.544 -0.977 -10.312 1.00 0.00 O ATOM 485 OD2 ASP A 163 6.701 -0.907 -12.372 1.00 0.00 O ATOM 0 H ASP A 163 6.524 -0.875 -8.323 1.00 0.00 H new ATOM 0 HA ASP A 163 3.994 -1.970 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 163 5.909 -3.255 -10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 163 4.729 -2.088 -11.428 1.00 0.00 H new ATOM 490 N LYS A 164 4.911 -4.344 -8.666 1.00 0.00 N ATOM 491 CA LYS A 164 5.271 -5.550 -7.942 1.00 0.00 C ATOM 492 C LYS A 164 5.090 -6.763 -8.856 1.00 0.00 C ATOM 493 O LYS A 164 3.981 -7.044 -9.309 1.00 0.00 O ATOM 494 CB LYS A 164 4.482 -5.644 -6.633 1.00 0.00 C ATOM 495 CG LYS A 164 3.045 -5.154 -6.823 1.00 0.00 C ATOM 496 CD LYS A 164 2.261 -5.236 -5.511 1.00 0.00 C ATOM 497 CE LYS A 164 1.033 -6.136 -5.662 1.00 0.00 C ATOM 498 NZ LYS A 164 1.383 -7.544 -5.369 1.00 0.00 N ATOM 0 H LYS A 164 4.125 -4.450 -9.308 1.00 0.00 H new ATOM 0 HA LYS A 164 6.322 -5.522 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 164 4.475 -6.676 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 164 4.974 -5.049 -5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 164 3.052 -4.125 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 164 2.550 -5.755 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 164 2.905 -5.623 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 164 1.949 -4.237 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 164 0.245 -5.803 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 164 0.639 -6.056 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 0.538 -8.141 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 2.119 -7.864 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 1.738 -7.618 -4.394 1.00 0.00 H new ATOM 512 N PRO A 165 6.225 -7.468 -9.108 1.00 0.00 N ATOM 513 CA PRO A 165 6.202 -8.644 -9.961 1.00 0.00 C ATOM 514 C PRO A 165 5.581 -9.838 -9.233 1.00 0.00 C ATOM 515 O PRO A 165 4.522 -10.325 -9.624 1.00 0.00 O ATOM 516 CB PRO A 165 7.653 -8.875 -10.350 1.00 0.00 C ATOM 517 CG PRO A 165 8.485 -8.108 -9.336 1.00 0.00 C ATOM 518 CD PRO A 165 7.556 -7.165 -8.589 1.00 0.00 C ATOM 0 HA PRO A 165 5.582 -8.509 -10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 165 7.898 -9.937 -10.332 1.00 0.00 H new ATOM 0 HB3 PRO A 165 7.847 -8.520 -11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 165 8.970 -8.795 -8.642 1.00 0.00 H new ATOM 0 HG3 PRO A 165 9.276 -7.548 -9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.608 -7.328 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 165 7.823 -6.123 -8.767 1.00 0.00 H new ATOM 526 N GLU A 166 6.268 -10.274 -8.186 1.00 0.00 N ATOM 527 CA GLU A 166 5.796 -11.401 -7.400 1.00 0.00 C ATOM 528 C GLU A 166 5.170 -10.912 -6.093 1.00 0.00 C ATOM 529 O GLU A 166 4.063 -10.378 -6.093 1.00 0.00 O ATOM 530 CB GLU A 166 6.931 -12.392 -7.127 1.00 0.00 C ATOM 531 CG GLU A 166 7.370 -13.091 -8.416 1.00 0.00 C ATOM 532 CD GLU A 166 8.706 -12.537 -8.914 1.00 0.00 C ATOM 533 OE1 GLU A 166 8.854 -11.295 -8.877 1.00 0.00 O ATOM 534 OE2 GLU A 166 9.549 -13.365 -9.319 1.00 0.00 O ATOM 0 H GLU A 166 7.146 -9.867 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 166 5.030 -11.924 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.779 -11.867 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 166 6.603 -13.135 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.460 -14.163 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 166 6.608 -12.957 -9.184 1.00 0.00 H new ATOM 541 N GLU A 167 5.908 -11.111 -5.010 1.00 0.00 N ATOM 542 CA GLU A 167 5.439 -10.697 -3.698 1.00 0.00 C ATOM 543 C GLU A 167 6.620 -10.535 -2.739 1.00 0.00 C ATOM 544 O GLU A 167 6.710 -9.540 -2.022 1.00 0.00 O ATOM 545 CB GLU A 167 4.413 -11.688 -3.144 1.00 0.00 C ATOM 546 CG GLU A 167 5.027 -13.079 -2.982 1.00 0.00 C ATOM 547 CD GLU A 167 3.940 -14.147 -2.851 1.00 0.00 C ATOM 548 OE1 GLU A 167 3.433 -14.574 -3.910 1.00 0.00 O ATOM 549 OE2 GLU A 167 3.640 -14.513 -1.693 1.00 0.00 O ATOM 0 H GLU A 167 6.827 -11.553 -5.014 1.00 0.00 H new ATOM 0 HA GLU A 167 4.944 -9.731 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 167 4.044 -11.335 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 167 3.555 -11.741 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 167 5.660 -13.303 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 167 5.668 -13.097 -2.100 1.00 0.00 H new ATOM 556 N GLN A 168 7.494 -11.530 -2.756 1.00 0.00 N ATOM 557 CA GLN A 168 8.666 -11.511 -1.896 1.00 0.00 C ATOM 558 C GLN A 168 9.468 -10.227 -2.119 1.00 0.00 C ATOM 559 O GLN A 168 9.976 -9.635 -1.169 1.00 0.00 O ATOM 560 CB GLN A 168 9.536 -12.748 -2.127 1.00 0.00 C ATOM 561 CG GLN A 168 8.827 -14.015 -1.646 1.00 0.00 C ATOM 562 CD GLN A 168 9.808 -15.185 -1.540 1.00 0.00 C ATOM 563 OE1 GLN A 168 10.384 -15.452 -0.498 1.00 0.00 O ATOM 564 NE2 GLN A 168 9.964 -15.865 -2.672 1.00 0.00 N ATOM 0 H GLN A 168 7.415 -12.355 -3.351 1.00 0.00 H new ATOM 0 HA GLN A 168 8.331 -11.531 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 168 9.771 -12.839 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 168 10.483 -12.634 -1.599 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.367 -13.832 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.023 -14.271 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 168 9.451 -15.587 -3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.597 -16.664 -2.704 1.00 0.00 H new ATOM 573 N TRP A 169 9.556 -9.834 -3.382 1.00 0.00 N ATOM 574 CA TRP A 169 10.288 -8.632 -3.742 1.00 0.00 C ATOM 575 C TRP A 169 9.303 -7.657 -4.390 1.00 0.00 C ATOM 576 O TRP A 169 8.386 -8.072 -5.096 1.00 0.00 O ATOM 577 CB TRP A 169 11.480 -8.963 -4.642 1.00 0.00 C ATOM 578 CG TRP A 169 12.721 -9.433 -3.881 1.00 0.00 C ATOM 579 CD1 TRP A 169 12.944 -10.630 -3.324 1.00 0.00 C ATOM 580 CD2 TRP A 169 13.911 -8.659 -3.617 1.00 0.00 C ATOM 581 NE1 TRP A 169 14.184 -10.685 -2.721 1.00 0.00 N ATOM 582 CE2 TRP A 169 14.791 -9.449 -2.905 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.233 -7.336 -3.968 1.00 0.00 C ATOM 584 CZ2 TRP A 169 16.050 -9.004 -2.483 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.494 -6.908 -3.538 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.392 -7.690 -2.821 1.00 0.00 C ATOM 0 H TRP A 169 9.132 -10.327 -4.168 1.00 0.00 H new ATOM 0 HA TRP A 169 10.715 -8.161 -2.857 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.184 -9.738 -5.349 1.00 0.00 H new ATOM 0 HB3 TRP A 169 11.737 -8.080 -5.227 1.00 0.00 H new ATOM 0 HD1 TRP A 169 12.241 -11.450 -3.344 1.00 0.00 H new ATOM 0 HE1 TRP A 169 14.582 -11.486 -2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 169 13.561 -6.701 -4.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 16.721 -9.641 -1.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 15.791 -5.898 -3.780 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.349 -7.285 -2.526 1.00 0.00 H new ATOM 597 N TRP A 170 9.527 -6.377 -4.126 1.00 0.00 N ATOM 598 CA TRP A 170 8.670 -5.339 -4.675 1.00 0.00 C ATOM 599 C TRP A 170 9.555 -4.348 -5.434 1.00 0.00 C ATOM 600 O TRP A 170 10.711 -4.137 -5.069 1.00 0.00 O ATOM 601 CB TRP A 170 7.840 -4.676 -3.575 1.00 0.00 C ATOM 602 CG TRP A 170 6.733 -5.568 -3.007 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.142 -6.620 -3.590 1.00 0.00 C ATOM 604 CD2 TRP A 170 6.106 -5.442 -1.713 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.184 -7.179 -2.769 1.00 0.00 N ATOM 606 CE2 TRP A 170 5.162 -6.440 -1.593 1.00 0.00 C ATOM 607 CE3 TRP A 170 6.330 -4.516 -0.680 1.00 0.00 C ATOM 608 CZ2 TRP A 170 4.366 -6.608 -0.453 1.00 0.00 C ATOM 609 CZ3 TRP A 170 5.527 -4.697 0.452 1.00 0.00 C ATOM 610 CH2 TRP A 170 4.571 -5.697 0.590 1.00 0.00 C ATOM 0 H TRP A 170 10.289 -6.036 -3.540 1.00 0.00 H new ATOM 0 HA TRP A 170 7.946 -5.764 -5.371 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.504 -4.377 -2.764 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.391 -3.765 -3.972 1.00 0.00 H new ATOM 0 HD1 TRP A 170 6.385 -6.984 -4.577 1.00 0.00 H new ATOM 0 HE1 TRP A 170 4.600 -7.986 -2.986 1.00 0.00 H new ATOM 0 HE3 TRP A 170 7.064 -3.727 -0.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.633 -7.398 -0.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 5.659 -4.012 1.276 1.00 0.00 H new ATOM 0 HH2 TRP A 170 3.990 -5.771 1.497 1.00 0.00 H new ATOM 621 N ASN A 171 8.981 -3.769 -6.477 1.00 0.00 N ATOM 622 CA ASN A 171 9.703 -2.805 -7.291 1.00 0.00 C ATOM 623 C ASN A 171 9.301 -1.389 -6.874 1.00 0.00 C ATOM 624 O ASN A 171 8.236 -0.905 -7.252 1.00 0.00 O ATOM 625 CB ASN A 171 9.366 -2.975 -8.774 1.00 0.00 C ATOM 626 CG ASN A 171 10.213 -2.040 -9.639 1.00 0.00 C ATOM 627 OD1 ASN A 171 11.015 -1.259 -9.153 1.00 0.00 O ATOM 628 ND2 ASN A 171 9.990 -2.161 -10.944 1.00 0.00 N ATOM 0 H ASN A 171 8.023 -3.948 -6.778 1.00 0.00 H new ATOM 0 HA ASN A 171 10.770 -2.970 -7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 171 9.538 -4.009 -9.074 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.308 -2.768 -8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 171 10.505 -1.580 -11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 171 9.304 -2.835 -11.284 1.00 0.00 H new ATOM 635 N ALA A 172 10.177 -0.764 -6.100 1.00 0.00 N ATOM 636 CA ALA A 172 9.927 0.587 -5.628 1.00 0.00 C ATOM 637 C ALA A 172 11.028 1.515 -6.146 1.00 0.00 C ATOM 638 O ALA A 172 12.074 1.051 -6.597 1.00 0.00 O ATOM 639 CB ALA A 172 9.837 0.585 -4.101 1.00 0.00 C ATOM 0 H ALA A 172 11.060 -1.168 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 172 8.976 0.958 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 172 9.649 1.598 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.022 -0.067 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 172 10.775 0.222 -3.682 1.00 0.00 H new ATOM 645 N GLU A 173 10.754 2.809 -6.063 1.00 0.00 N ATOM 646 CA GLU A 173 11.708 3.806 -6.518 1.00 0.00 C ATOM 647 C GLU A 173 12.394 4.469 -5.322 1.00 0.00 C ATOM 648 O GLU A 173 11.734 4.855 -4.358 1.00 0.00 O ATOM 649 CB GLU A 173 11.029 4.849 -7.408 1.00 0.00 C ATOM 650 CG GLU A 173 11.486 4.713 -8.861 1.00 0.00 C ATOM 651 CD GLU A 173 10.981 5.883 -9.707 1.00 0.00 C ATOM 652 OE1 GLU A 173 10.586 6.898 -9.094 1.00 0.00 O ATOM 653 OE2 GLU A 173 10.999 5.735 -10.948 1.00 0.00 O ATOM 0 H GLU A 173 9.885 3.190 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 173 12.469 3.306 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.947 4.731 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 173 11.260 5.850 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.575 4.674 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 173 11.118 3.775 -9.275 1.00 0.00 H new ATOM 660 N ASP A 174 13.710 4.581 -5.423 1.00 0.00 N ATOM 661 CA ASP A 174 14.494 5.190 -4.362 1.00 0.00 C ATOM 662 C ASP A 174 14.294 6.707 -4.393 1.00 0.00 C ATOM 663 O ASP A 174 13.798 7.251 -5.378 1.00 0.00 O ATOM 664 CB ASP A 174 15.985 4.906 -4.545 1.00 0.00 C ATOM 665 CG ASP A 174 16.816 4.952 -3.261 1.00 0.00 C ATOM 666 OD1 ASP A 174 16.198 5.149 -2.192 1.00 0.00 O ATOM 667 OD2 ASP A 174 18.049 4.789 -3.376 1.00 0.00 O ATOM 0 H ASP A 174 14.254 4.260 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 174 14.161 4.769 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 174 16.099 3.921 -4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.393 5.630 -5.250 1.00 0.00 H new ATOM 672 N SER A 175 14.689 7.346 -3.302 1.00 0.00 N ATOM 673 CA SER A 175 14.560 8.788 -3.191 1.00 0.00 C ATOM 674 C SER A 175 15.234 9.468 -4.385 1.00 0.00 C ATOM 675 O SER A 175 14.959 10.629 -4.680 1.00 0.00 O ATOM 676 CB SER A 175 15.164 9.298 -1.880 1.00 0.00 C ATOM 677 OG SER A 175 14.963 10.697 -1.708 1.00 0.00 O ATOM 0 H SER A 175 15.099 6.891 -2.486 1.00 0.00 H new ATOM 0 HA SER A 175 13.499 9.036 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 175 14.717 8.762 -1.043 1.00 0.00 H new ATOM 0 HB3 SER A 175 16.232 9.081 -1.864 1.00 0.00 H new ATOM 0 HG SER A 175 15.361 10.983 -0.860 1.00 0.00 H new ATOM 683 N GLU A 176 16.105 8.713 -5.040 1.00 0.00 N ATOM 684 CA GLU A 176 16.821 9.228 -6.194 1.00 0.00 C ATOM 685 C GLU A 176 15.947 9.130 -7.447 1.00 0.00 C ATOM 686 O GLU A 176 16.137 9.884 -8.401 1.00 0.00 O ATOM 687 CB GLU A 176 18.146 8.488 -6.392 1.00 0.00 C ATOM 688 CG GLU A 176 19.065 8.679 -5.184 1.00 0.00 C ATOM 689 CD GLU A 176 20.514 8.338 -5.538 1.00 0.00 C ATOM 690 OE1 GLU A 176 20.754 7.156 -5.870 1.00 0.00 O ATOM 691 OE2 GLU A 176 21.350 9.264 -5.466 1.00 0.00 O ATOM 0 H GLU A 176 16.330 7.749 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 176 17.052 10.278 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.954 7.426 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.641 8.854 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 176 19.005 9.710 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 176 18.729 8.046 -4.363 1.00 0.00 H new ATOM 698 N GLY A 177 15.009 8.196 -7.404 1.00 0.00 N ATOM 699 CA GLY A 177 14.106 7.990 -8.523 1.00 0.00 C ATOM 700 C GLY A 177 14.524 6.772 -9.348 1.00 0.00 C ATOM 701 O GLY A 177 14.250 6.705 -10.546 1.00 0.00 O ATOM 0 H GLY A 177 14.855 7.573 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 177 13.090 7.852 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 177 14.098 8.877 -9.156 1.00 0.00 H new ATOM 705 N LYS A 178 15.181 5.839 -8.676 1.00 0.00 N ATOM 706 CA LYS A 178 15.640 4.627 -9.332 1.00 0.00 C ATOM 707 C LYS A 178 14.659 3.490 -9.038 1.00 0.00 C ATOM 708 O LYS A 178 14.431 3.148 -7.878 1.00 0.00 O ATOM 709 CB LYS A 178 17.083 4.313 -8.932 1.00 0.00 C ATOM 710 CG LYS A 178 17.315 4.603 -7.447 1.00 0.00 C ATOM 711 CD LYS A 178 18.426 3.715 -6.883 1.00 0.00 C ATOM 712 CE LYS A 178 19.783 4.417 -6.964 1.00 0.00 C ATOM 713 NZ LYS A 178 20.407 4.187 -8.285 1.00 0.00 N ATOM 0 H LYS A 178 15.407 5.898 -7.683 1.00 0.00 H new ATOM 0 HA LYS A 178 15.657 4.763 -10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 178 17.302 3.266 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.769 4.909 -9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 178 17.580 5.652 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 178 16.392 4.435 -6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 178 18.204 3.463 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 178 18.464 2.777 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 178 19.656 5.487 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 178 20.439 4.046 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 21.349 3.765 -8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 19.812 3.541 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 20.499 5.093 -8.788 1.00 0.00 H new ATOM 727 N ARG A 179 14.107 2.935 -10.106 1.00 0.00 N ATOM 728 CA ARG A 179 13.157 1.844 -9.977 1.00 0.00 C ATOM 729 C ARG A 179 13.893 0.506 -9.891 1.00 0.00 C ATOM 730 O ARG A 179 14.506 0.068 -10.863 1.00 0.00 O ATOM 731 CB ARG A 179 12.190 1.811 -11.163 1.00 0.00 C ATOM 732 CG ARG A 179 11.962 3.217 -11.723 1.00 0.00 C ATOM 733 CD ARG A 179 10.487 3.441 -12.058 1.00 0.00 C ATOM 734 NE ARG A 179 10.359 4.461 -13.124 1.00 0.00 N ATOM 735 CZ ARG A 179 9.458 5.452 -13.111 1.00 0.00 C ATOM 736 NH1 ARG A 179 8.600 5.565 -12.087 1.00 0.00 N ATOM 737 NH2 ARG A 179 9.414 6.332 -14.121 1.00 0.00 N ATOM 0 H ARG A 179 14.300 3.221 -11.066 1.00 0.00 H new ATOM 0 HA ARG A 179 12.587 2.008 -9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.589 1.165 -11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.238 1.382 -10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 179 12.290 3.960 -10.996 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.567 3.358 -12.618 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.033 2.505 -12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 179 9.948 3.764 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 179 10.997 4.405 -13.918 1.00 0.00 H new ATOM 0 HH11 ARG A 179 8.633 4.896 -11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 179 7.914 6.320 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 179 10.067 6.247 -14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 179 8.728 7.086 -14.111 1.00 0.00 H new ATOM 751 N GLY A 180 13.808 -0.106 -8.720 1.00 0.00 N ATOM 752 CA GLY A 180 14.458 -1.386 -8.495 1.00 0.00 C ATOM 753 C GLY A 180 13.659 -2.241 -7.509 1.00 0.00 C ATOM 754 O GLY A 180 12.708 -1.761 -6.894 1.00 0.00 O ATOM 0 H GLY A 180 13.299 0.261 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.561 -1.917 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.464 -1.224 -8.109 1.00 0.00 H new ATOM 758 N MET A 181 14.075 -3.494 -7.390 1.00 0.00 N ATOM 759 CA MET A 181 13.410 -4.421 -6.491 1.00 0.00 C ATOM 760 C MET A 181 14.021 -4.358 -5.089 1.00 0.00 C ATOM 761 O MET A 181 15.230 -4.192 -4.942 1.00 0.00 O ATOM 762 CB MET A 181 13.536 -5.844 -7.039 1.00 0.00 C ATOM 763 CG MET A 181 13.050 -5.918 -8.488 1.00 0.00 C ATOM 764 SD MET A 181 11.591 -6.940 -8.593 1.00 0.00 S ATOM 765 CE MET A 181 10.554 -6.123 -7.392 1.00 0.00 C ATOM 0 H MET A 181 14.864 -3.888 -7.902 1.00 0.00 H new ATOM 0 HA MET A 181 12.359 -4.141 -6.423 1.00 0.00 H new ATOM 0 HB2 MET A 181 14.575 -6.168 -6.983 1.00 0.00 H new ATOM 0 HB3 MET A 181 12.955 -6.528 -6.421 1.00 0.00 H new ATOM 0 HG2 MET A 181 12.830 -4.917 -8.858 1.00 0.00 H new ATOM 0 HG3 MET A 181 13.836 -6.326 -9.123 1.00 0.00 H new ATOM 0 HE1 MET A 181 9.514 -6.401 -7.560 1.00 0.00 H new ATOM 0 HE2 MET A 181 10.852 -6.425 -6.388 1.00 0.00 H new ATOM 0 HE3 MET A 181 10.662 -5.043 -7.493 1.00 0.00 H new ATOM 775 N ILE A 182 13.156 -4.493 -4.094 1.00 0.00 N ATOM 776 CA ILE A 182 13.595 -4.454 -2.710 1.00 0.00 C ATOM 777 C ILE A 182 12.838 -5.515 -1.909 1.00 0.00 C ATOM 778 O ILE A 182 11.782 -5.982 -2.332 1.00 0.00 O ATOM 779 CB ILE A 182 13.453 -3.040 -2.143 1.00 0.00 C ATOM 780 CG1 ILE A 182 12.047 -2.487 -2.392 1.00 0.00 C ATOM 781 CG2 ILE A 182 14.538 -2.115 -2.698 1.00 0.00 C ATOM 782 CD1 ILE A 182 11.924 -1.918 -3.807 1.00 0.00 C ATOM 0 H ILE A 182 12.153 -4.630 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 182 14.655 -4.697 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 182 13.593 -3.090 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 182 11.311 -3.278 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 182 11.824 -1.708 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 182 14.414 -1.116 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 182 15.520 -2.503 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 182 14.454 -2.066 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 182 10.916 -1.532 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 182 12.645 -1.111 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 182 12.123 -2.705 -4.534 1.00 0.00 H new ATOM 794 N PRO A 183 13.424 -5.876 -0.736 1.00 0.00 N ATOM 795 CA PRO A 183 12.817 -6.874 0.128 1.00 0.00 C ATOM 796 C PRO A 183 11.609 -6.297 0.868 1.00 0.00 C ATOM 797 O PRO A 183 11.598 -5.119 1.222 1.00 0.00 O ATOM 798 CB PRO A 183 13.931 -7.315 1.062 1.00 0.00 C ATOM 799 CG PRO A 183 14.986 -6.223 0.998 1.00 0.00 C ATOM 800 CD PRO A 183 14.675 -5.344 -0.202 1.00 0.00 C ATOM 0 HA PRO A 183 12.420 -7.725 -0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.561 -7.441 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.343 -8.275 0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 183 14.981 -5.633 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 183 15.981 -6.658 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.569 -4.299 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.473 -5.389 -0.943 1.00 0.00 H new ATOM 808 N VAL A 184 10.620 -7.154 1.080 1.00 0.00 N ATOM 809 CA VAL A 184 9.410 -6.744 1.772 1.00 0.00 C ATOM 810 C VAL A 184 9.671 -6.725 3.279 1.00 0.00 C ATOM 811 O VAL A 184 9.176 -5.850 3.988 1.00 0.00 O ATOM 812 CB VAL A 184 8.248 -7.657 1.378 1.00 0.00 C ATOM 813 CG1 VAL A 184 7.024 -7.399 2.261 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.900 -7.493 -0.103 1.00 0.00 C ATOM 0 H VAL A 184 10.632 -8.130 0.785 1.00 0.00 H new ATOM 0 HA VAL A 184 9.126 -5.733 1.479 1.00 0.00 H new ATOM 0 HB VAL A 184 8.564 -8.688 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.212 -8.061 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.280 -7.590 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.707 -6.362 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 184 7.071 -8.153 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.614 -6.459 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.767 -7.749 -0.711 1.00 0.00 H new ATOM 824 N PRO A 185 10.470 -7.726 3.737 1.00 0.00 N ATOM 825 CA PRO A 185 10.803 -7.833 5.147 1.00 0.00 C ATOM 826 C PRO A 185 11.837 -6.778 5.548 1.00 0.00 C ATOM 827 O PRO A 185 11.516 -5.830 6.264 1.00 0.00 O ATOM 828 CB PRO A 185 11.307 -9.255 5.326 1.00 0.00 C ATOM 829 CG PRO A 185 11.675 -9.745 3.935 1.00 0.00 C ATOM 830 CD PRO A 185 11.076 -8.779 2.927 1.00 0.00 C ATOM 0 HA PRO A 185 9.948 -7.643 5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.170 -9.283 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.540 -9.888 5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.758 -9.793 3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.293 -10.753 3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.840 -8.377 2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.334 -9.272 2.299 1.00 0.00 H new ATOM 838 N TYR A 186 13.055 -6.978 5.069 1.00 0.00 N ATOM 839 CA TYR A 186 14.138 -6.056 5.367 1.00 0.00 C ATOM 840 C TYR A 186 13.614 -4.626 5.518 1.00 0.00 C ATOM 841 O TYR A 186 14.117 -3.860 6.339 1.00 0.00 O ATOM 842 CB TYR A 186 15.085 -6.115 4.169 1.00 0.00 C ATOM 843 CG TYR A 186 16.373 -6.900 4.430 1.00 0.00 C ATOM 844 CD1 TYR A 186 16.320 -8.110 5.092 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.585 -6.399 4.005 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.531 -8.850 5.338 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.797 -7.138 4.251 1.00 0.00 C ATOM 848 CZ TYR A 186 18.710 -8.327 4.906 1.00 0.00 C ATOM 849 OH TYR A 186 19.853 -9.024 5.139 1.00 0.00 O ATOM 0 H TYR A 186 13.317 -7.766 4.476 1.00 0.00 H new ATOM 0 HA TYR A 186 14.629 -6.330 6.301 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.561 -6.567 3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.345 -5.098 3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 186 15.370 -8.502 5.426 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.626 -5.452 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 186 17.504 -9.799 5.854 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.753 -6.757 3.923 1.00 0.00 H new ATOM 0 HH TYR A 186 20.617 -8.531 4.774 1.00 0.00 H new ATOM 859 N VAL A 187 12.611 -4.309 4.713 1.00 0.00 N ATOM 860 CA VAL A 187 12.014 -2.985 4.747 1.00 0.00 C ATOM 861 C VAL A 187 10.587 -3.087 5.290 1.00 0.00 C ATOM 862 O VAL A 187 10.050 -4.185 5.430 1.00 0.00 O ATOM 863 CB VAL A 187 12.080 -2.345 3.359 1.00 0.00 C ATOM 864 CG1 VAL A 187 13.324 -2.813 2.599 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.808 -2.636 2.560 1.00 0.00 C ATOM 0 H VAL A 187 12.197 -4.946 4.033 1.00 0.00 H new ATOM 0 HA VAL A 187 12.572 -2.332 5.418 1.00 0.00 H new ATOM 0 HB VAL A 187 12.153 -1.265 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 187 13.347 -2.344 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 187 14.218 -2.533 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.294 -3.896 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.881 -2.170 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.691 -3.713 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.945 -2.233 3.090 1.00 0.00 H new ATOM 875 N GLU A 188 10.014 -1.928 5.581 1.00 0.00 N ATOM 876 CA GLU A 188 8.661 -1.873 6.106 1.00 0.00 C ATOM 877 C GLU A 188 7.800 -0.934 5.258 1.00 0.00 C ATOM 878 O GLU A 188 8.117 -0.675 4.098 1.00 0.00 O ATOM 879 CB GLU A 188 8.658 -1.444 7.574 1.00 0.00 C ATOM 880 CG GLU A 188 9.989 -1.787 8.248 1.00 0.00 C ATOM 881 CD GLU A 188 9.812 -1.953 9.759 1.00 0.00 C ATOM 882 OE1 GLU A 188 9.412 -0.956 10.397 1.00 0.00 O ATOM 883 OE2 GLU A 188 10.080 -3.075 10.240 1.00 0.00 O ATOM 0 H GLU A 188 10.463 -1.020 5.463 1.00 0.00 H new ATOM 0 HA GLU A 188 8.232 -2.874 6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 188 8.477 -0.371 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.842 -1.939 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 188 10.390 -2.707 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.716 -1.000 8.048 1.00 0.00 H new ATOM 890 N LYS A 189 6.730 -0.450 5.871 1.00 0.00 N ATOM 891 CA LYS A 189 5.822 0.455 5.187 1.00 0.00 C ATOM 892 C LYS A 189 5.761 1.781 5.947 1.00 0.00 C ATOM 893 O LYS A 189 5.580 1.796 7.164 1.00 0.00 O ATOM 894 CB LYS A 189 4.455 -0.204 4.991 1.00 0.00 C ATOM 895 CG LYS A 189 4.128 -0.357 3.504 1.00 0.00 C ATOM 896 CD LYS A 189 4.675 -1.677 2.955 1.00 0.00 C ATOM 897 CE LYS A 189 4.274 -1.870 1.491 1.00 0.00 C ATOM 898 NZ LYS A 189 3.269 -2.948 1.367 1.00 0.00 N ATOM 0 H LYS A 189 6.471 -0.667 6.833 1.00 0.00 H new ATOM 0 HA LYS A 189 6.190 0.678 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 189 4.447 -1.182 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.685 0.396 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 189 3.048 -0.319 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 189 4.554 0.477 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 189 5.761 -1.689 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 189 4.298 -2.507 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 189 3.869 -0.940 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 189 5.154 -2.115 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 2.474 -2.616 0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 3.705 -3.779 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 2.921 -3.208 2.312 1.00 0.00 H new