USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 619 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 154 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0087) USER MOD Single : A 163 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.1) USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 180 SER OG : rot -130:sc= -0.162 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl 143:sc= -0.163 (180deg=-0.774) USER MOD Single : A 194 CYS SG : rot -25:sc= -2.76! USER MOD Single : A 195 CYS SG : rot 85:sc= -0.444 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 90:sc= 0.964 USER MOD Single : A 223 HIS : no HD1:sc=-0.00456 X(o=-0.0046,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 6.551 14.918 -7.883 1.00 33.12 N ATOM 115 CA LYS A 154 7.222 13.620 -7.770 1.00 63.11 C ATOM 116 C LYS A 154 6.210 12.459 -7.716 1.00 64.44 C ATOM 117 O LYS A 154 5.096 12.618 -7.211 1.00 5.23 O ATOM 118 CB LYS A 154 8.173 13.613 -6.549 1.00 52.34 C ATOM 119 CG LYS A 154 7.584 14.157 -5.239 1.00 11.22 C ATOM 120 CD LYS A 154 6.637 13.169 -4.554 1.00 62.44 C ATOM 121 CE LYS A 154 6.216 13.654 -3.169 1.00 50.25 C ATOM 122 NZ LYS A 154 5.450 14.928 -3.223 1.00 74.31 N ATOM 0 HA LYS A 154 7.822 13.467 -8.667 1.00 63.11 H new ATOM 0 HB2 LYS A 154 8.506 12.589 -6.378 1.00 52.34 H new ATOM 0 HB3 LYS A 154 9.058 14.199 -6.798 1.00 52.34 H new ATOM 0 HG2 LYS A 154 8.397 14.405 -4.557 1.00 11.22 H new ATOM 0 HG3 LYS A 154 7.047 15.083 -5.445 1.00 11.22 H new ATOM 0 HD2 LYS A 154 5.752 13.025 -5.173 1.00 62.44 H new ATOM 0 HD3 LYS A 154 7.126 12.199 -4.466 1.00 62.44 H new ATOM 0 HE2 LYS A 154 5.608 12.888 -2.688 1.00 50.25 H new ATOM 0 HE3 LYS A 154 7.103 13.792 -2.550 1.00 50.25 H new ATOM 0 HZ1 LYS A 154 5.143 15.190 -2.264 1.00 74.31 H new ATOM 0 HZ2 LYS A 154 6.054 15.680 -3.610 1.00 74.31 H new ATOM 0 HZ3 LYS A 154 4.616 14.806 -3.832 1.00 74.31 H new ATOM 136 N PRO A 155 6.580 11.277 -8.252 1.00 72.34 N ATOM 137 CA PRO A 155 5.679 10.109 -8.319 1.00 3.31 C ATOM 138 C PRO A 155 5.162 9.663 -6.937 1.00 65.22 C ATOM 139 O PRO A 155 5.939 9.492 -5.996 1.00 55.24 O ATOM 140 CB PRO A 155 6.551 9.011 -8.957 1.00 34.11 C ATOM 141 CG PRO A 155 7.960 9.479 -8.778 1.00 31.30 C ATOM 142 CD PRO A 155 7.902 10.979 -8.838 1.00 72.54 C ATOM 0 HA PRO A 155 4.776 10.336 -8.886 1.00 3.31 H new ATOM 0 HB2 PRO A 155 6.391 8.048 -8.471 1.00 34.11 H new ATOM 0 HB3 PRO A 155 6.310 8.880 -10.012 1.00 34.11 H new ATOM 0 HG2 PRO A 155 8.367 9.141 -7.825 1.00 31.30 H new ATOM 0 HG3 PRO A 155 8.607 9.081 -9.560 1.00 31.30 H new ATOM 0 HD2 PRO A 155 8.710 11.438 -8.269 1.00 72.54 H new ATOM 0 HD3 PRO A 155 7.984 11.347 -9.861 1.00 72.54 H new ATOM 150 N ILE A 156 3.845 9.474 -6.826 1.00 53.41 N ATOM 151 CA ILE A 156 3.219 9.043 -5.569 1.00 4.11 C ATOM 152 C ILE A 156 2.234 7.884 -5.790 1.00 12.41 C ATOM 153 O ILE A 156 1.909 7.536 -6.927 1.00 1.42 O ATOM 154 CB ILE A 156 2.493 10.229 -4.860 1.00 11.52 C ATOM 155 CG1 ILE A 156 1.464 10.919 -5.791 1.00 4.21 C ATOM 156 CG2 ILE A 156 3.509 11.247 -4.338 1.00 52.43 C ATOM 157 CD1 ILE A 156 0.098 10.252 -5.832 1.00 4.21 C ATOM 0 H ILE A 156 3.187 9.613 -7.593 1.00 53.41 H new ATOM 0 HA ILE A 156 4.023 8.689 -4.924 1.00 4.11 H new ATOM 0 HB ILE A 156 1.943 9.814 -4.016 1.00 11.52 H new ATOM 0 HG12 ILE A 156 1.339 11.953 -5.469 1.00 4.21 H new ATOM 0 HG13 ILE A 156 1.870 10.947 -6.802 1.00 4.21 H new ATOM 0 HG21 ILE A 156 2.984 12.066 -3.847 1.00 52.43 H new ATOM 0 HG22 ILE A 156 4.175 10.763 -3.624 1.00 52.43 H new ATOM 0 HG23 ILE A 156 4.093 11.638 -5.171 1.00 52.43 H new ATOM 0 HD11 ILE A 156 -0.556 10.803 -6.508 1.00 4.21 H new ATOM 0 HD12 ILE A 156 0.204 9.226 -6.185 1.00 4.21 H new ATOM 0 HD13 ILE A 156 -0.335 10.248 -4.832 1.00 4.21 H new ATOM 169 N VAL A 157 1.772 7.286 -4.696 1.00 22.22 N ATOM 170 CA VAL A 157 0.777 6.209 -4.747 1.00 34.01 C ATOM 171 C VAL A 157 -0.371 6.490 -3.768 1.00 44.00 C ATOM 172 O VAL A 157 -0.138 6.834 -2.605 1.00 12.21 O ATOM 173 CB VAL A 157 1.412 4.834 -4.409 1.00 5.24 C ATOM 174 CG1 VAL A 157 0.380 3.713 -4.514 1.00 4.01 C ATOM 175 CG2 VAL A 157 2.608 4.552 -5.315 1.00 71.14 C ATOM 0 H VAL A 157 2.072 7.529 -3.752 1.00 22.22 H new ATOM 0 HA VAL A 157 0.389 6.173 -5.765 1.00 34.01 H new ATOM 0 HB VAL A 157 1.765 4.872 -3.378 1.00 5.24 H new ATOM 0 HG11 VAL A 157 0.852 2.761 -4.272 1.00 4.01 H new ATOM 0 HG12 VAL A 157 -0.435 3.902 -3.815 1.00 4.01 H new ATOM 0 HG13 VAL A 157 -0.014 3.675 -5.530 1.00 4.01 H new ATOM 0 HG21 VAL A 157 3.037 3.583 -5.060 1.00 71.14 H new ATOM 0 HG22 VAL A 157 2.282 4.542 -6.355 1.00 71.14 H new ATOM 0 HG23 VAL A 157 3.360 5.329 -5.178 1.00 71.14 H new ATOM 185 N ARG A 158 -1.608 6.345 -4.241 1.00 54.54 N ATOM 186 CA ARG A 158 -2.793 6.622 -3.418 1.00 51.43 C ATOM 187 C ARG A 158 -3.229 5.363 -2.651 1.00 51.12 C ATOM 188 O ARG A 158 -3.905 4.493 -3.201 1.00 30.42 O ATOM 189 CB ARG A 158 -3.946 7.127 -4.301 1.00 53.32 C ATOM 190 CG ARG A 158 -3.551 8.256 -5.249 1.00 3.32 C ATOM 191 CD ARG A 158 -4.725 8.694 -6.117 1.00 3.43 C ATOM 192 NE ARG A 158 -4.315 9.580 -7.204 1.00 30.33 N ATOM 193 CZ ARG A 158 -5.147 10.174 -8.019 1.00 74.03 C ATOM 194 NH1 ARG A 158 -6.428 10.033 -7.875 1.00 55.40 N ATOM 195 NH2 ARG A 158 -4.691 10.908 -8.983 1.00 32.34 N ATOM 0 H ARG A 158 -1.820 6.037 -5.190 1.00 54.54 H new ATOM 0 HA ARG A 158 -2.535 7.395 -2.694 1.00 51.43 H new ATOM 0 HB2 ARG A 158 -4.334 6.293 -4.886 1.00 53.32 H new ATOM 0 HB3 ARG A 158 -4.757 7.471 -3.660 1.00 53.32 H new ATOM 0 HG2 ARG A 158 -3.187 9.106 -4.672 1.00 3.32 H new ATOM 0 HG3 ARG A 158 -2.729 7.927 -5.885 1.00 3.32 H new ATOM 0 HD2 ARG A 158 -5.213 7.813 -6.534 1.00 3.43 H new ATOM 0 HD3 ARG A 158 -5.462 9.203 -5.496 1.00 3.43 H new ATOM 0 HE ARG A 158 -3.317 9.745 -7.335 1.00 30.33 H new ATOM 0 HH11 ARG A 158 -6.796 9.454 -7.120 1.00 55.40 H new ATOM 0 HH12 ARG A 158 -7.068 10.501 -8.517 1.00 55.40 H new ATOM 0 HH21 ARG A 158 -3.685 11.022 -9.105 1.00 32.34 H new ATOM 0 HH22 ARG A 158 -5.338 11.372 -9.620 1.00 32.34 H new ATOM 209 N VAL A 159 -2.837 5.266 -1.386 1.00 11.03 N ATOM 210 CA VAL A 159 -3.116 4.070 -0.582 1.00 24.11 C ATOM 211 C VAL A 159 -4.340 4.261 0.333 1.00 2.43 C ATOM 212 O VAL A 159 -4.310 5.043 1.287 1.00 23.32 O ATOM 213 CB VAL A 159 -1.894 3.677 0.286 1.00 33.41 C ATOM 214 CG1 VAL A 159 -2.148 2.353 1.009 1.00 51.31 C ATOM 215 CG2 VAL A 159 -0.627 3.599 -0.569 1.00 41.10 C ATOM 0 H VAL A 159 -2.326 5.997 -0.891 1.00 11.03 H new ATOM 0 HA VAL A 159 -3.331 3.270 -1.290 1.00 24.11 H new ATOM 0 HB VAL A 159 -1.746 4.450 1.040 1.00 33.41 H new ATOM 0 HG11 VAL A 159 -1.278 2.095 1.613 1.00 51.31 H new ATOM 0 HG12 VAL A 159 -3.021 2.452 1.654 1.00 51.31 H new ATOM 0 HG13 VAL A 159 -2.327 1.566 0.276 1.00 51.31 H new ATOM 0 HG21 VAL A 159 0.219 3.322 0.059 1.00 41.10 H new ATOM 0 HG22 VAL A 159 -0.760 2.850 -1.350 1.00 41.10 H new ATOM 0 HG23 VAL A 159 -0.437 4.570 -1.027 1.00 41.10 H new ATOM 225 N PHE A 160 -5.418 3.546 0.025 1.00 42.14 N ATOM 226 CA PHE A 160 -6.620 3.545 0.859 1.00 53.43 C ATOM 227 C PHE A 160 -6.538 2.443 1.928 1.00 74.54 C ATOM 228 O PHE A 160 -6.570 1.251 1.615 1.00 4.00 O ATOM 229 CB PHE A 160 -7.869 3.355 -0.015 1.00 21.11 C ATOM 230 CG PHE A 160 -8.050 4.441 -1.049 1.00 13.33 C ATOM 231 CD1 PHE A 160 -8.671 5.637 -0.718 1.00 62.45 C ATOM 232 CD2 PHE A 160 -7.598 4.267 -2.353 1.00 71.33 C ATOM 233 CE1 PHE A 160 -8.838 6.633 -1.663 1.00 13.41 C ATOM 234 CE2 PHE A 160 -7.763 5.260 -3.299 1.00 22.53 C ATOM 235 CZ PHE A 160 -8.385 6.443 -2.953 1.00 54.04 C ATOM 0 H PHE A 160 -5.485 2.954 -0.803 1.00 42.14 H new ATOM 0 HA PHE A 160 -6.691 4.507 1.367 1.00 53.43 H new ATOM 0 HB2 PHE A 160 -7.807 2.391 -0.519 1.00 21.11 H new ATOM 0 HB3 PHE A 160 -8.750 3.324 0.626 1.00 21.11 H new ATOM 0 HD1 PHE A 160 -9.028 5.792 0.289 1.00 62.45 H new ATOM 0 HD2 PHE A 160 -7.112 3.343 -2.629 1.00 71.33 H new ATOM 0 HE1 PHE A 160 -9.323 7.559 -1.392 1.00 13.41 H new ATOM 0 HE2 PHE A 160 -7.406 5.111 -4.307 1.00 22.53 H new ATOM 0 HZ PHE A 160 -8.517 7.220 -3.692 1.00 54.04 H new ATOM 245 N LEU A 161 -6.425 2.853 3.188 1.00 4.44 N ATOM 246 CA LEU A 161 -6.260 1.919 4.312 1.00 3.44 C ATOM 247 C LEU A 161 -7.620 1.502 4.909 1.00 64.35 C ATOM 248 O LEU A 161 -8.635 2.164 4.678 1.00 43.05 O ATOM 249 CB LEU A 161 -5.377 2.568 5.394 1.00 12.51 C ATOM 250 CG LEU A 161 -3.952 2.938 4.945 1.00 14.42 C ATOM 251 CD1 LEU A 161 -3.215 3.682 6.052 1.00 21.33 C ATOM 252 CD2 LEU A 161 -3.173 1.691 4.527 1.00 55.24 C ATOM 0 H LEU A 161 -6.444 3.835 3.464 1.00 4.44 H new ATOM 0 HA LEU A 161 -5.777 1.016 3.938 1.00 3.44 H new ATOM 0 HB2 LEU A 161 -5.873 3.470 5.752 1.00 12.51 H new ATOM 0 HB3 LEU A 161 -5.308 1.885 6.241 1.00 12.51 H new ATOM 0 HG LEU A 161 -4.030 3.597 4.081 1.00 14.42 H new ATOM 0 HD11 LEU A 161 -2.210 3.934 5.714 1.00 21.33 H new ATOM 0 HD12 LEU A 161 -3.755 4.596 6.298 1.00 21.33 H new ATOM 0 HD13 LEU A 161 -3.152 3.048 6.937 1.00 21.33 H new ATOM 0 HD21 LEU A 161 -2.169 1.977 4.214 1.00 55.24 H new ATOM 0 HD22 LEU A 161 -3.108 1.003 5.370 1.00 55.24 H new ATOM 0 HD23 LEU A 161 -3.686 1.202 3.699 1.00 55.24 H new ATOM 264 N PRO A 162 -7.664 0.387 5.677 1.00 63.33 N ATOM 265 CA PRO A 162 -8.907 -0.086 6.322 1.00 23.33 C ATOM 266 C PRO A 162 -9.573 0.976 7.216 1.00 11.14 C ATOM 267 O PRO A 162 -8.945 1.963 7.607 1.00 2.12 O ATOM 268 CB PRO A 162 -8.437 -1.281 7.170 1.00 2.04 C ATOM 269 CG PRO A 162 -7.189 -1.750 6.506 1.00 53.22 C ATOM 270 CD PRO A 162 -6.527 -0.511 5.961 1.00 12.34 C ATOM 0 HA PRO A 162 -9.667 -0.334 5.581 1.00 23.33 H new ATOM 0 HB2 PRO A 162 -8.249 -0.984 8.202 1.00 2.04 H new ATOM 0 HB3 PRO A 162 -9.191 -2.068 7.197 1.00 2.04 H new ATOM 0 HG2 PRO A 162 -6.538 -2.263 7.214 1.00 53.22 H new ATOM 0 HG3 PRO A 162 -7.412 -2.458 5.708 1.00 53.22 H new ATOM 0 HD2 PRO A 162 -5.839 -0.072 6.683 1.00 12.34 H new ATOM 0 HD3 PRO A 162 -5.950 -0.726 5.061 1.00 12.34 H new ATOM 278 N ASN A 163 -10.853 0.764 7.535 1.00 25.10 N ATOM 279 CA ASN A 163 -11.609 1.676 8.406 1.00 74.31 C ATOM 280 C ASN A 163 -11.674 3.099 7.818 1.00 75.13 C ATOM 281 O ASN A 163 -11.636 4.092 8.549 1.00 12.34 O ATOM 282 CB ASN A 163 -10.993 1.696 9.813 1.00 3.53 C ATOM 283 CG ASN A 163 -10.981 0.319 10.457 1.00 42.13 C ATOM 284 OD1 ASN A 163 -11.832 -0.524 10.179 1.00 25.31 O ATOM 285 ND2 ASN A 163 -10.025 0.083 11.330 1.00 51.51 N ATOM 0 H ASN A 163 -11.392 -0.035 7.202 1.00 25.10 H new ATOM 0 HA ASN A 163 -12.632 1.306 8.474 1.00 74.31 H new ATOM 0 HB2 ASN A 163 -9.973 2.077 9.755 1.00 3.53 H new ATOM 0 HB3 ASN A 163 -11.555 2.385 10.444 1.00 3.53 H new ATOM 0 HD21 ASN A 163 -9.974 -0.821 11.799 1.00 51.51 H new ATOM 0 HD22 ASN A 163 -9.335 0.804 11.538 1.00 51.51 H new ATOM 292 N LYS A 164 -11.785 3.176 6.487 1.00 23.35 N ATOM 293 CA LYS A 164 -11.927 4.452 5.760 1.00 11.42 C ATOM 294 C LYS A 164 -10.674 5.345 5.855 1.00 25.52 C ATOM 295 O LYS A 164 -10.719 6.524 5.497 1.00 25.40 O ATOM 296 CB LYS A 164 -13.163 5.222 6.261 1.00 62.45 C ATOM 297 CG LYS A 164 -14.469 4.443 6.118 1.00 34.23 C ATOM 298 CD LYS A 164 -14.734 4.047 4.667 1.00 15.11 C ATOM 299 CE LYS A 164 -15.981 3.185 4.528 1.00 14.43 C ATOM 300 NZ LYS A 164 -16.199 2.761 3.121 1.00 2.12 N ATOM 0 H LYS A 164 -11.779 2.357 5.879 1.00 23.35 H new ATOM 0 HA LYS A 164 -12.054 4.196 4.708 1.00 11.42 H new ATOM 0 HB2 LYS A 164 -13.018 5.482 7.310 1.00 62.45 H new ATOM 0 HB3 LYS A 164 -13.246 6.158 5.709 1.00 62.45 H new ATOM 0 HG2 LYS A 164 -14.428 3.547 6.738 1.00 34.23 H new ATOM 0 HG3 LYS A 164 -15.297 5.049 6.487 1.00 34.23 H new ATOM 0 HD2 LYS A 164 -14.846 4.946 4.061 1.00 15.11 H new ATOM 0 HD3 LYS A 164 -13.873 3.504 4.277 1.00 15.11 H new ATOM 0 HE2 LYS A 164 -15.888 2.304 5.164 1.00 14.43 H new ATOM 0 HE3 LYS A 164 -16.850 3.742 4.880 1.00 14.43 H new ATOM 0 HZ1 LYS A 164 -17.057 2.176 3.064 1.00 2.12 H new ATOM 0 HZ2 LYS A 164 -16.312 3.601 2.519 1.00 2.12 H new ATOM 0 HZ3 LYS A 164 -15.381 2.209 2.794 1.00 2.12 H new ATOM 314 N GLN A 165 -9.556 4.786 6.312 1.00 15.42 N ATOM 315 CA GLN A 165 -8.301 5.547 6.423 1.00 33.51 C ATOM 316 C GLN A 165 -7.629 5.730 5.048 1.00 12.32 C ATOM 317 O GLN A 165 -7.903 4.985 4.106 1.00 55.31 O ATOM 318 CB GLN A 165 -7.336 4.842 7.388 1.00 74.34 C ATOM 319 CG GLN A 165 -7.839 4.761 8.826 1.00 61.15 C ATOM 320 CD GLN A 165 -8.003 6.129 9.472 1.00 62.53 C ATOM 321 OE1 GLN A 165 -7.295 7.074 9.146 1.00 12.04 O ATOM 322 NE2 GLN A 165 -8.928 6.244 10.401 1.00 34.51 N ATOM 0 H GLN A 165 -9.487 3.813 6.612 1.00 15.42 H new ATOM 0 HA GLN A 165 -8.545 6.535 6.814 1.00 33.51 H new ATOM 0 HB2 GLN A 165 -7.148 3.832 7.023 1.00 74.34 H new ATOM 0 HB3 GLN A 165 -6.381 5.368 7.378 1.00 74.34 H new ATOM 0 HG2 GLN A 165 -8.796 4.240 8.842 1.00 61.15 H new ATOM 0 HG3 GLN A 165 -7.142 4.167 9.417 1.00 61.15 H new ATOM 0 HE21 GLN A 165 -9.502 5.439 10.651 1.00 34.51 H new ATOM 0 HE22 GLN A 165 -9.071 7.138 10.871 1.00 34.51 H new ATOM 331 N ARG A 166 -6.744 6.718 4.930 1.00 44.22 N ATOM 332 CA ARG A 166 -6.056 6.985 3.661 1.00 63.10 C ATOM 333 C ARG A 166 -4.651 7.571 3.872 1.00 62.31 C ATOM 334 O ARG A 166 -4.358 8.177 4.904 1.00 63.15 O ATOM 335 CB ARG A 166 -6.888 7.946 2.799 1.00 72.51 C ATOM 336 CG ARG A 166 -7.150 9.295 3.461 1.00 35.01 C ATOM 337 CD ARG A 166 -7.871 10.258 2.523 1.00 42.13 C ATOM 338 NE ARG A 166 -9.155 9.730 2.064 1.00 60.41 N ATOM 339 CZ ARG A 166 -10.055 10.437 1.437 1.00 40.24 C ATOM 340 NH1 ARG A 166 -9.872 11.699 1.214 1.00 11.11 N ATOM 341 NH2 ARG A 166 -11.147 9.875 1.047 1.00 41.23 N ATOM 0 H ARG A 166 -6.485 7.346 5.691 1.00 44.22 H new ATOM 0 HA ARG A 166 -5.944 6.028 3.150 1.00 63.10 H new ATOM 0 HB2 ARG A 166 -6.372 8.110 1.853 1.00 72.51 H new ATOM 0 HB3 ARG A 166 -7.843 7.475 2.564 1.00 72.51 H new ATOM 0 HG2 ARG A 166 -7.748 9.148 4.360 1.00 35.01 H new ATOM 0 HG3 ARG A 166 -6.204 9.735 3.776 1.00 35.01 H new ATOM 0 HD2 ARG A 166 -8.033 11.207 3.035 1.00 42.13 H new ATOM 0 HD3 ARG A 166 -7.237 10.465 1.661 1.00 42.13 H new ATOM 0 HE ARG A 166 -9.360 8.747 2.245 1.00 60.41 H new ATOM 0 HH11 ARG A 166 -9.015 12.154 1.530 1.00 11.11 H new ATOM 0 HH12 ARG A 166 -10.585 12.239 0.723 1.00 11.11 H new ATOM 0 HH21 ARG A 166 -11.304 8.884 1.229 1.00 41.23 H new ATOM 0 HH22 ARG A 166 -11.855 10.422 0.556 1.00 41.23 H new ATOM 355 N THR A 167 -3.779 7.351 2.891 1.00 0.23 N ATOM 356 CA THR A 167 -2.435 7.944 2.878 1.00 2.40 C ATOM 357 C THR A 167 -1.869 7.997 1.451 1.00 64.40 C ATOM 358 O THR A 167 -2.211 7.165 0.608 1.00 45.15 O ATOM 359 CB THR A 167 -1.447 7.161 3.775 1.00 65.33 C ATOM 360 OG1 THR A 167 -0.146 7.763 3.720 1.00 75.41 O ATOM 361 CG2 THR A 167 -1.348 5.700 3.344 1.00 44.41 C ATOM 0 H THR A 167 -3.978 6.760 2.084 1.00 0.23 H new ATOM 0 HA THR A 167 -2.541 8.955 3.271 1.00 2.40 H new ATOM 0 HB THR A 167 -1.825 7.197 4.797 1.00 65.33 H new ATOM 0 HG1 THR A 167 0.471 7.261 4.292 1.00 75.41 H new ATOM 0 HG21 THR A 167 -0.646 5.176 3.993 1.00 44.41 H new ATOM 0 HG22 THR A 167 -2.330 5.232 3.417 1.00 44.41 H new ATOM 0 HG23 THR A 167 -0.997 5.648 2.313 1.00 44.41 H new ATOM 369 N VAL A 168 -1.010 8.977 1.179 1.00 10.40 N ATOM 370 CA VAL A 168 -0.326 9.072 -0.118 1.00 33.14 C ATOM 371 C VAL A 168 1.195 9.142 0.087 1.00 0.12 C ATOM 372 O VAL A 168 1.703 10.061 0.734 1.00 25.41 O ATOM 373 CB VAL A 168 -0.795 10.306 -0.935 1.00 63.23 C ATOM 374 CG1 VAL A 168 -0.112 10.341 -2.297 1.00 12.13 C ATOM 375 CG2 VAL A 168 -2.317 10.307 -1.088 1.00 1.22 C ATOM 0 H VAL A 168 -0.768 9.719 1.836 1.00 10.40 H new ATOM 0 HA VAL A 168 -0.583 8.176 -0.684 1.00 33.14 H new ATOM 0 HB VAL A 168 -0.510 11.206 -0.390 1.00 63.23 H new ATOM 0 HG11 VAL A 168 -0.455 11.213 -2.854 1.00 12.13 H new ATOM 0 HG12 VAL A 168 0.968 10.398 -2.161 1.00 12.13 H new ATOM 0 HG13 VAL A 168 -0.360 9.436 -2.852 1.00 12.13 H new ATOM 0 HG21 VAL A 168 -2.624 11.180 -1.664 1.00 1.22 H new ATOM 0 HG22 VAL A 168 -2.631 9.401 -1.607 1.00 1.22 H new ATOM 0 HG23 VAL A 168 -2.782 10.340 -0.103 1.00 1.22 H new ATOM 385 N VAL A 169 1.915 8.168 -0.468 1.00 23.24 N ATOM 386 CA VAL A 169 3.372 8.061 -0.284 1.00 2.03 C ATOM 387 C VAL A 169 4.123 8.098 -1.631 1.00 20.42 C ATOM 388 O VAL A 169 3.573 7.710 -2.663 1.00 74.22 O ATOM 389 CB VAL A 169 3.735 6.754 0.474 1.00 50.15 C ATOM 390 CG1 VAL A 169 3.193 6.784 1.904 1.00 64.01 C ATOM 391 CG2 VAL A 169 3.206 5.533 -0.275 1.00 1.21 C ATOM 0 H VAL A 169 1.515 7.435 -1.053 1.00 23.24 H new ATOM 0 HA VAL A 169 3.683 8.923 0.307 1.00 2.03 H new ATOM 0 HB VAL A 169 4.822 6.683 0.524 1.00 50.15 H new ATOM 0 HG11 VAL A 169 3.460 5.858 2.414 1.00 64.01 H new ATOM 0 HG12 VAL A 169 3.624 7.630 2.439 1.00 64.01 H new ATOM 0 HG13 VAL A 169 2.108 6.885 1.880 1.00 64.01 H new ATOM 0 HG21 VAL A 169 3.470 4.628 0.272 1.00 1.21 H new ATOM 0 HG22 VAL A 169 2.122 5.601 -0.362 1.00 1.21 H new ATOM 0 HG23 VAL A 169 3.648 5.497 -1.271 1.00 1.21 H new ATOM 401 N PRO A 170 5.390 8.570 -1.644 1.00 72.14 N ATOM 402 CA PRO A 170 6.193 8.662 -2.882 1.00 31.13 C ATOM 403 C PRO A 170 6.664 7.292 -3.416 1.00 53.23 C ATOM 404 O PRO A 170 7.194 6.464 -2.670 1.00 34.01 O ATOM 405 CB PRO A 170 7.392 9.521 -2.457 1.00 14.34 C ATOM 406 CG PRO A 170 7.538 9.264 -0.995 1.00 41.14 C ATOM 407 CD PRO A 170 6.140 9.061 -0.466 1.00 75.20 C ATOM 0 HA PRO A 170 5.612 9.079 -3.704 1.00 31.13 H new ATOM 0 HB2 PRO A 170 8.294 9.240 -3.001 1.00 14.34 H new ATOM 0 HB3 PRO A 170 7.214 10.577 -2.658 1.00 14.34 H new ATOM 0 HG2 PRO A 170 8.155 8.384 -0.813 1.00 41.14 H new ATOM 0 HG3 PRO A 170 8.025 10.103 -0.498 1.00 41.14 H new ATOM 0 HD2 PRO A 170 6.121 8.339 0.351 1.00 75.20 H new ATOM 0 HD3 PRO A 170 5.718 9.989 -0.081 1.00 75.20 H new ATOM 415 N ALA A 171 6.477 7.070 -4.718 1.00 32.53 N ATOM 416 CA ALA A 171 6.884 5.820 -5.368 1.00 12.52 C ATOM 417 C ALA A 171 8.328 5.901 -5.886 1.00 13.42 C ATOM 418 O ALA A 171 8.603 6.539 -6.905 1.00 2.13 O ATOM 419 CB ALA A 171 5.931 5.491 -6.510 1.00 51.23 C ATOM 0 H ALA A 171 6.043 7.744 -5.348 1.00 32.53 H new ATOM 0 HA ALA A 171 6.841 5.024 -4.625 1.00 12.52 H new ATOM 0 HB1 ALA A 171 6.241 4.561 -6.987 1.00 51.23 H new ATOM 0 HB2 ALA A 171 4.920 5.378 -6.119 1.00 51.23 H new ATOM 0 HB3 ALA A 171 5.949 6.298 -7.243 1.00 51.23 H new ATOM 425 N ARG A 172 9.249 5.248 -5.178 1.00 24.03 N ATOM 426 CA ARG A 172 10.680 5.312 -5.509 1.00 35.53 C ATOM 427 C ARG A 172 11.271 3.918 -5.771 1.00 31.22 C ATOM 428 O ARG A 172 10.939 2.953 -5.080 1.00 15.34 O ATOM 429 CB ARG A 172 11.441 5.989 -4.364 1.00 0.42 C ATOM 430 CG ARG A 172 10.912 7.375 -4.019 1.00 50.13 C ATOM 431 CD ARG A 172 11.614 7.969 -2.807 1.00 60.04 C ATOM 432 NE ARG A 172 11.127 9.310 -2.506 1.00 15.41 N ATOM 433 CZ ARG A 172 11.229 9.885 -1.340 1.00 41.44 C ATOM 434 NH1 ARG A 172 11.747 9.260 -0.334 1.00 54.43 N ATOM 435 NH2 ARG A 172 10.796 11.093 -1.184 1.00 21.04 N ATOM 0 H ARG A 172 9.033 4.666 -4.369 1.00 24.03 H new ATOM 0 HA ARG A 172 10.785 5.893 -6.425 1.00 35.53 H new ATOM 0 HB2 ARG A 172 11.386 5.357 -3.478 1.00 0.42 H new ATOM 0 HB3 ARG A 172 12.494 6.068 -4.635 1.00 0.42 H new ATOM 0 HG2 ARG A 172 11.045 8.037 -4.875 1.00 50.13 H new ATOM 0 HG3 ARG A 172 9.841 7.316 -3.825 1.00 50.13 H new ATOM 0 HD2 ARG A 172 11.458 7.323 -1.943 1.00 60.04 H new ATOM 0 HD3 ARG A 172 12.688 8.004 -2.989 1.00 60.04 H new ATOM 0 HE ARG A 172 10.677 9.833 -3.257 1.00 15.41 H new ATOM 0 HH11 ARG A 172 12.083 8.303 -0.446 1.00 54.43 H new ATOM 0 HH12 ARG A 172 11.820 9.723 0.572 1.00 54.43 H new ATOM 0 HH21 ARG A 172 10.378 11.590 -1.970 1.00 21.04 H new ATOM 0 HH22 ARG A 172 10.873 11.549 -0.275 1.00 21.04 H new ATOM 449 N CYS A 173 12.153 3.825 -6.766 1.00 51.33 N ATOM 450 CA CYS A 173 12.836 2.563 -7.083 1.00 42.40 C ATOM 451 C CYS A 173 13.843 2.197 -5.983 1.00 55.21 C ATOM 452 O CYS A 173 14.749 2.972 -5.677 1.00 11.14 O ATOM 453 CB CYS A 173 13.552 2.667 -8.436 1.00 61.10 C ATOM 454 SG CYS A 173 14.372 1.141 -8.963 1.00 24.30 S ATOM 0 H CYS A 173 12.414 4.606 -7.368 1.00 51.33 H new ATOM 0 HA CYS A 173 12.084 1.776 -7.140 1.00 42.40 H new ATOM 0 HB2 CYS A 173 12.827 2.958 -9.196 1.00 61.10 H new ATOM 0 HB3 CYS A 173 14.293 3.464 -8.381 1.00 61.10 H new ATOM 0 HG CYS A 173 14.944 1.331 -10.115 1.00 24.30 H new ATOM 460 N GLY A 174 13.678 1.019 -5.388 1.00 42.52 N ATOM 461 CA GLY A 174 14.540 0.600 -4.284 1.00 63.23 C ATOM 462 C GLY A 174 13.782 0.485 -2.965 1.00 32.44 C ATOM 463 O GLY A 174 14.133 -0.326 -2.104 1.00 33.24 O ATOM 0 H GLY A 174 12.961 0.341 -5.648 1.00 42.52 H new ATOM 0 HA2 GLY A 174 14.992 -0.362 -4.525 1.00 63.23 H new ATOM 0 HA3 GLY A 174 15.354 1.316 -4.171 1.00 63.23 H new ATOM 467 N VAL A 175 12.735 1.293 -2.815 1.00 42.23 N ATOM 468 CA VAL A 175 11.901 1.284 -1.608 1.00 43.45 C ATOM 469 C VAL A 175 10.744 0.282 -1.744 1.00 13.20 C ATOM 470 O VAL A 175 9.982 0.328 -2.710 1.00 30.01 O ATOM 471 CB VAL A 175 11.323 2.696 -1.322 1.00 12.15 C ATOM 472 CG1 VAL A 175 10.452 2.695 -0.065 1.00 54.24 C ATOM 473 CG2 VAL A 175 12.447 3.722 -1.202 1.00 22.44 C ATOM 0 H VAL A 175 12.439 1.969 -3.519 1.00 42.23 H new ATOM 0 HA VAL A 175 12.538 0.982 -0.776 1.00 43.45 H new ATOM 0 HB VAL A 175 10.690 2.976 -2.164 1.00 12.15 H new ATOM 0 HG11 VAL A 175 10.062 3.698 0.108 1.00 54.24 H new ATOM 0 HG12 VAL A 175 9.622 2.001 -0.198 1.00 54.24 H new ATOM 0 HG13 VAL A 175 11.050 2.385 0.792 1.00 54.24 H new ATOM 0 HG21 VAL A 175 12.022 4.706 -1.002 1.00 22.44 H new ATOM 0 HG22 VAL A 175 13.111 3.440 -0.385 1.00 22.44 H new ATOM 0 HG23 VAL A 175 13.012 3.754 -2.134 1.00 22.44 H new ATOM 483 N THR A 176 10.613 -0.624 -0.777 1.00 61.32 N ATOM 484 CA THR A 176 9.533 -1.624 -0.797 1.00 11.51 C ATOM 485 C THR A 176 8.259 -1.086 -0.139 1.00 4.14 C ATOM 486 O THR A 176 8.302 -0.124 0.632 1.00 21.51 O ATOM 487 CB THR A 176 9.942 -2.936 -0.081 1.00 62.41 C ATOM 488 OG1 THR A 176 10.177 -2.700 1.318 1.00 0.22 O ATOM 489 CG2 THR A 176 11.194 -3.527 -0.717 1.00 51.13 C ATOM 0 H THR A 176 11.235 -0.691 0.029 1.00 61.32 H new ATOM 0 HA THR A 176 9.340 -1.838 -1.848 1.00 11.51 H new ATOM 0 HB THR A 176 9.121 -3.645 -0.187 1.00 62.41 H new ATOM 0 HG1 THR A 176 10.432 -3.540 1.753 1.00 0.22 H new ATOM 0 HG21 THR A 176 11.465 -4.448 -0.200 1.00 51.13 H new ATOM 0 HG22 THR A 176 11.001 -3.744 -1.768 1.00 51.13 H new ATOM 0 HG23 THR A 176 12.014 -2.813 -0.639 1.00 51.13 H new ATOM 497 N VAL A 177 7.126 -1.719 -0.438 1.00 24.24 N ATOM 498 CA VAL A 177 5.835 -1.326 0.141 1.00 52.31 C ATOM 499 C VAL A 177 5.897 -1.263 1.680 1.00 51.32 C ATOM 500 O VAL A 177 5.335 -0.359 2.302 1.00 72.34 O ATOM 501 CB VAL A 177 4.712 -2.307 -0.289 1.00 23.52 C ATOM 502 CG1 VAL A 177 3.361 -1.890 0.292 1.00 34.21 C ATOM 503 CG2 VAL A 177 4.636 -2.410 -1.811 1.00 73.44 C ATOM 0 H VAL A 177 7.072 -2.510 -1.080 1.00 24.24 H new ATOM 0 HA VAL A 177 5.608 -0.330 -0.238 1.00 52.31 H new ATOM 0 HB VAL A 177 4.959 -3.291 0.110 1.00 23.52 H new ATOM 0 HG11 VAL A 177 2.594 -2.596 -0.027 1.00 34.21 H new ATOM 0 HG12 VAL A 177 3.419 -1.884 1.380 1.00 34.21 H new ATOM 0 HG13 VAL A 177 3.105 -0.892 -0.063 1.00 34.21 H new ATOM 0 HG21 VAL A 177 3.842 -3.103 -2.090 1.00 73.44 H new ATOM 0 HG22 VAL A 177 4.424 -1.427 -2.232 1.00 73.44 H new ATOM 0 HG23 VAL A 177 5.588 -2.773 -2.199 1.00 73.44 H new ATOM 513 N ARG A 178 6.603 -2.217 2.285 1.00 11.52 N ATOM 514 CA ARG A 178 6.718 -2.279 3.747 1.00 31.42 C ATOM 515 C ARG A 178 7.662 -1.190 4.292 1.00 21.41 C ATOM 516 O ARG A 178 7.603 -0.839 5.472 1.00 44.21 O ATOM 517 CB ARG A 178 7.215 -3.667 4.184 1.00 11.20 C ATOM 518 CG ARG A 178 6.681 -4.103 5.547 1.00 3.20 C ATOM 519 CD ARG A 178 7.251 -5.450 5.987 1.00 31.25 C ATOM 520 NE ARG A 178 8.637 -5.340 6.442 1.00 52.32 N ATOM 521 CZ ARG A 178 9.393 -6.361 6.752 1.00 31.50 C ATOM 522 NH1 ARG A 178 8.974 -7.571 6.576 1.00 54.14 N ATOM 523 NH2 ARG A 178 10.579 -6.161 7.231 1.00 71.24 N ATOM 0 H ARG A 178 7.103 -2.956 1.791 1.00 11.52 H new ATOM 0 HA ARG A 178 5.726 -2.101 4.161 1.00 31.42 H new ATOM 0 HB2 ARG A 178 6.921 -4.402 3.435 1.00 11.20 H new ATOM 0 HB3 ARG A 178 8.305 -3.661 4.214 1.00 11.20 H new ATOM 0 HG2 ARG A 178 6.928 -3.346 6.291 1.00 3.20 H new ATOM 0 HG3 ARG A 178 5.594 -4.167 5.506 1.00 3.20 H new ATOM 0 HD2 ARG A 178 6.638 -5.857 6.791 1.00 31.25 H new ATOM 0 HD3 ARG A 178 7.197 -6.154 5.157 1.00 31.25 H new ATOM 0 HE ARG A 178 9.040 -4.406 6.523 1.00 52.32 H new ATOM 0 HH11 ARG A 178 8.044 -7.738 6.191 1.00 54.14 H new ATOM 0 HH12 ARG A 178 9.573 -8.359 6.822 1.00 54.14 H new ATOM 0 HH21 ARG A 178 10.921 -5.209 7.365 1.00 71.24 H new ATOM 0 HH22 ARG A 178 11.171 -6.955 7.474 1.00 71.24 H new ATOM 537 N ASP A 179 8.539 -0.671 3.438 1.00 22.04 N ATOM 538 CA ASP A 179 9.490 0.372 3.845 1.00 2.21 C ATOM 539 C ASP A 179 8.850 1.769 3.776 1.00 13.15 C ATOM 540 O ASP A 179 9.149 2.647 4.587 1.00 72.25 O ATOM 541 CB ASP A 179 10.745 0.320 2.965 1.00 12.50 C ATOM 542 CG ASP A 179 11.865 1.190 3.510 1.00 61.43 C ATOM 543 OD1 ASP A 179 12.625 0.706 4.379 1.00 5.35 O ATOM 544 OD2 ASP A 179 11.986 2.356 3.086 1.00 54.33 O ATOM 0 H ASP A 179 8.615 -0.951 2.460 1.00 22.04 H new ATOM 0 HA ASP A 179 9.773 0.182 4.880 1.00 2.21 H new ATOM 0 HB2 ASP A 179 11.092 -0.711 2.890 1.00 12.50 H new ATOM 0 HB3 ASP A 179 10.493 0.646 1.956 1.00 12.50 H new ATOM 549 N SER A 180 7.968 1.970 2.806 1.00 72.23 N ATOM 550 CA SER A 180 7.283 3.257 2.636 1.00 63.31 C ATOM 551 C SER A 180 6.097 3.398 3.599 1.00 33.15 C ATOM 552 O SER A 180 6.020 4.349 4.380 1.00 74.13 O ATOM 553 CB SER A 180 6.792 3.410 1.189 1.00 2.22 C ATOM 554 OG SER A 180 5.898 2.364 0.838 1.00 21.51 O ATOM 0 H SER A 180 7.706 1.261 2.121 1.00 72.23 H new ATOM 0 HA SER A 180 8.002 4.044 2.864 1.00 63.31 H new ATOM 0 HB2 SER A 180 6.294 4.373 1.071 1.00 2.22 H new ATOM 0 HB3 SER A 180 7.645 3.406 0.510 1.00 2.22 H new ATOM 0 HG SER A 180 6.178 1.967 -0.013 1.00 21.51 H new ATOM 560 N LEU A 181 5.185 2.432 3.556 1.00 11.43 N ATOM 561 CA LEU A 181 3.942 2.499 4.336 1.00 12.21 C ATOM 562 C LEU A 181 4.144 2.256 5.845 1.00 53.04 C ATOM 563 O LEU A 181 3.184 2.346 6.611 1.00 64.23 O ATOM 564 CB LEU A 181 2.922 1.493 3.784 1.00 23.21 C ATOM 565 CG LEU A 181 2.426 1.776 2.357 1.00 51.12 C ATOM 566 CD1 LEU A 181 1.428 0.711 1.909 1.00 64.11 C ATOM 567 CD2 LEU A 181 1.803 3.169 2.271 1.00 25.22 C ATOM 0 H LEU A 181 5.279 1.589 2.989 1.00 11.43 H new ATOM 0 HA LEU A 181 3.571 3.518 4.231 1.00 12.21 H new ATOM 0 HB2 LEU A 181 3.369 0.499 3.805 1.00 23.21 H new ATOM 0 HB3 LEU A 181 2.061 1.470 4.452 1.00 23.21 H new ATOM 0 HG LEU A 181 3.284 1.741 1.685 1.00 51.12 H new ATOM 0 HD11 LEU A 181 1.090 0.932 0.896 1.00 64.11 H new ATOM 0 HD12 LEU A 181 1.908 -0.268 1.926 1.00 64.11 H new ATOM 0 HD13 LEU A 181 0.572 0.707 2.584 1.00 64.11 H new ATOM 0 HD21 LEU A 181 1.458 3.351 1.253 1.00 25.22 H new ATOM 0 HD22 LEU A 181 0.959 3.233 2.957 1.00 25.22 H new ATOM 0 HD23 LEU A 181 2.548 3.918 2.541 1.00 25.22 H new ATOM 579 N LYS A 182 5.373 1.969 6.289 1.00 25.51 N ATOM 580 CA LYS A 182 5.613 1.688 7.716 1.00 72.02 C ATOM 581 C LYS A 182 5.239 2.881 8.616 1.00 62.54 C ATOM 582 O LYS A 182 4.851 2.692 9.769 1.00 21.11 O ATOM 583 CB LYS A 182 7.061 1.234 7.983 1.00 12.31 C ATOM 584 CG LYS A 182 8.154 2.199 7.525 1.00 2.33 C ATOM 585 CD LYS A 182 9.535 1.700 7.959 1.00 54.12 C ATOM 586 CE LYS A 182 10.678 2.435 7.264 1.00 51.32 C ATOM 587 NZ LYS A 182 10.685 3.896 7.537 1.00 23.05 N ATOM 0 H LYS A 182 6.203 1.925 5.698 1.00 25.51 H new ATOM 0 HA LYS A 182 4.953 0.860 7.976 1.00 72.02 H new ATOM 0 HB2 LYS A 182 7.177 1.064 9.053 1.00 12.31 H new ATOM 0 HB3 LYS A 182 7.218 0.275 7.489 1.00 12.31 H new ATOM 0 HG2 LYS A 182 8.124 2.302 6.440 1.00 2.33 H new ATOM 0 HG3 LYS A 182 7.971 3.188 7.944 1.00 2.33 H new ATOM 0 HD2 LYS A 182 9.636 1.819 9.038 1.00 54.12 H new ATOM 0 HD3 LYS A 182 9.613 0.634 7.747 1.00 54.12 H new ATOM 0 HE2 LYS A 182 11.627 2.007 7.587 1.00 51.32 H new ATOM 0 HE3 LYS A 182 10.605 2.273 6.189 1.00 51.32 H new ATOM 0 HZ1 LYS A 182 11.483 4.339 7.038 1.00 23.05 H new ATOM 0 HZ2 LYS A 182 9.793 4.316 7.204 1.00 23.05 H new ATOM 0 HZ3 LYS A 182 10.783 4.058 8.560 1.00 23.05 H new ATOM 601 N LYS A 183 5.340 4.106 8.091 1.00 44.44 N ATOM 602 CA LYS A 183 4.876 5.288 8.832 1.00 4.33 C ATOM 603 C LYS A 183 3.346 5.397 8.791 1.00 62.44 C ATOM 604 O LYS A 183 2.714 5.761 9.782 1.00 40.44 O ATOM 605 CB LYS A 183 5.491 6.581 8.281 1.00 72.41 C ATOM 606 CG LYS A 183 7.009 6.645 8.392 1.00 63.23 C ATOM 607 CD LYS A 183 7.533 8.070 8.203 1.00 60.42 C ATOM 608 CE LYS A 183 7.086 8.685 6.880 1.00 24.40 C ATOM 609 NZ LYS A 183 7.700 10.020 6.660 1.00 23.12 N ATOM 0 H LYS A 183 5.732 4.306 7.171 1.00 44.44 H new ATOM 0 HA LYS A 183 5.202 5.161 9.864 1.00 4.33 H new ATOM 0 HB2 LYS A 183 5.209 6.687 7.233 1.00 72.41 H new ATOM 0 HB3 LYS A 183 5.062 7.430 8.814 1.00 72.41 H new ATOM 0 HG2 LYS A 183 7.318 6.270 9.368 1.00 63.23 H new ATOM 0 HG3 LYS A 183 7.456 5.991 7.643 1.00 63.23 H new ATOM 0 HD2 LYS A 183 7.185 8.694 9.026 1.00 60.42 H new ATOM 0 HD3 LYS A 183 8.622 8.062 8.247 1.00 60.42 H new ATOM 0 HE2 LYS A 183 7.357 8.020 6.060 1.00 24.40 H new ATOM 0 HE3 LYS A 183 6.000 8.778 6.870 1.00 24.40 H new ATOM 0 HZ1 LYS A 183 7.373 10.407 5.752 1.00 23.12 H new ATOM 0 HZ2 LYS A 183 7.421 10.661 7.430 1.00 23.12 H new ATOM 0 HZ3 LYS A 183 8.736 9.927 6.644 1.00 23.12 H new ATOM 623 N ALA A 184 2.760 5.075 7.637 1.00 34.42 N ATOM 624 CA ALA A 184 1.303 5.107 7.468 1.00 32.13 C ATOM 625 C ALA A 184 0.615 4.145 8.448 1.00 54.44 C ATOM 626 O ALA A 184 -0.258 4.544 9.217 1.00 40.35 O ATOM 627 CB ALA A 184 0.931 4.760 6.033 1.00 2.11 C ATOM 0 H ALA A 184 3.272 4.788 6.803 1.00 34.42 H new ATOM 0 HA ALA A 184 0.956 6.117 7.686 1.00 32.13 H new ATOM 0 HB1 ALA A 184 -0.153 4.787 5.921 1.00 2.11 H new ATOM 0 HB2 ALA A 184 1.384 5.483 5.355 1.00 2.11 H new ATOM 0 HB3 ALA A 184 1.295 3.761 5.794 1.00 2.11 H new ATOM 633 N LEU A 185 1.029 2.880 8.417 1.00 31.32 N ATOM 634 CA LEU A 185 0.520 1.877 9.355 1.00 62.34 C ATOM 635 C LEU A 185 0.728 2.334 10.809 1.00 33.52 C ATOM 636 O LEU A 185 -0.184 2.259 11.632 1.00 71.43 O ATOM 637 CB LEU A 185 1.229 0.536 9.120 1.00 53.13 C ATOM 638 CG LEU A 185 1.105 -0.039 7.698 1.00 42.11 C ATOM 639 CD1 LEU A 185 1.905 -1.333 7.568 1.00 22.32 C ATOM 640 CD2 LEU A 185 -0.362 -0.268 7.333 1.00 24.44 C ATOM 0 H LEU A 185 1.716 2.523 7.753 1.00 31.32 H new ATOM 0 HA LEU A 185 -0.549 1.754 9.183 1.00 62.34 H new ATOM 0 HB2 LEU A 185 2.287 0.659 9.352 1.00 53.13 H new ATOM 0 HB3 LEU A 185 0.830 -0.194 9.824 1.00 53.13 H new ATOM 0 HG LEU A 185 1.519 0.688 6.999 1.00 42.11 H new ATOM 0 HD11 LEU A 185 1.804 -1.723 6.555 1.00 22.32 H new ATOM 0 HD12 LEU A 185 2.956 -1.134 7.777 1.00 22.32 H new ATOM 0 HD13 LEU A 185 1.527 -2.068 8.279 1.00 22.32 H new ATOM 0 HD21 LEU A 185 -0.427 -0.675 6.324 1.00 24.44 H new ATOM 0 HD22 LEU A 185 -0.807 -0.972 8.037 1.00 24.44 H new ATOM 0 HD23 LEU A 185 -0.900 0.679 7.378 1.00 24.44 H new ATOM 652 N MET A 186 1.929 2.834 11.101 1.00 14.35 N ATOM 653 CA MET A 186 2.283 3.307 12.445 1.00 62.32 C ATOM 654 C MET A 186 1.295 4.373 12.960 1.00 20.34 C ATOM 655 O MET A 186 0.690 4.214 14.019 1.00 12.43 O ATOM 656 CB MET A 186 3.709 3.877 12.423 1.00 1.42 C ATOM 657 CG MET A 186 4.265 4.234 13.792 1.00 64.32 C ATOM 658 SD MET A 186 5.932 4.925 13.699 1.00 20.31 S ATOM 659 CE MET A 186 6.331 5.077 15.440 1.00 10.44 C ATOM 0 H MET A 186 2.682 2.923 10.419 1.00 14.35 H new ATOM 0 HA MET A 186 2.230 2.459 13.128 1.00 62.32 H new ATOM 0 HB2 MET A 186 4.371 3.149 11.954 1.00 1.42 H new ATOM 0 HB3 MET A 186 3.721 4.768 11.796 1.00 1.42 H new ATOM 0 HG2 MET A 186 3.603 4.953 14.274 1.00 64.32 H new ATOM 0 HG3 MET A 186 4.278 3.343 14.419 1.00 64.32 H new ATOM 0 HE1 MET A 186 7.333 5.491 15.549 1.00 10.44 H new ATOM 0 HE2 MET A 186 5.611 5.738 15.922 1.00 10.44 H new ATOM 0 HE3 MET A 186 6.292 4.094 15.909 1.00 10.44 H new ATOM 669 N MET A 187 1.121 5.451 12.193 1.00 71.31 N ATOM 670 CA MET A 187 0.257 6.569 12.606 1.00 52.51 C ATOM 671 C MET A 187 -1.234 6.178 12.654 1.00 61.12 C ATOM 672 O MET A 187 -2.026 6.830 13.332 1.00 42.02 O ATOM 673 CB MET A 187 0.456 7.775 11.671 1.00 41.43 C ATOM 674 CG MET A 187 0.106 7.496 10.216 1.00 25.41 C ATOM 675 SD MET A 187 0.368 8.924 9.145 1.00 2.45 S ATOM 676 CE MET A 187 2.126 9.204 9.362 1.00 71.44 C ATOM 0 H MET A 187 1.564 5.578 11.283 1.00 71.31 H new ATOM 0 HA MET A 187 0.553 6.840 13.619 1.00 52.51 H new ATOM 0 HB2 MET A 187 -0.156 8.603 12.028 1.00 41.43 H new ATOM 0 HB3 MET A 187 1.495 8.098 11.728 1.00 41.43 H new ATOM 0 HG2 MET A 187 0.709 6.663 9.856 1.00 25.41 H new ATOM 0 HG3 MET A 187 -0.937 7.186 10.151 1.00 25.41 H new ATOM 0 HE1 MET A 187 2.564 9.520 8.415 1.00 71.44 H new ATOM 0 HE2 MET A 187 2.281 9.981 10.110 1.00 71.44 H new ATOM 0 HE3 MET A 187 2.603 8.282 9.693 1.00 71.44 H new ATOM 686 N ARG A 188 -1.616 5.127 11.926 1.00 42.00 N ATOM 687 CA ARG A 188 -3.014 4.655 11.925 1.00 70.23 C ATOM 688 C ARG A 188 -3.249 3.569 12.993 1.00 3.13 C ATOM 689 O ARG A 188 -4.380 3.354 13.429 1.00 22.30 O ATOM 690 CB ARG A 188 -3.404 4.104 10.546 1.00 43.21 C ATOM 691 CG ARG A 188 -3.228 5.095 9.397 1.00 72.00 C ATOM 692 CD ARG A 188 -4.052 6.370 9.574 1.00 63.52 C ATOM 693 NE ARG A 188 -3.945 7.244 8.403 1.00 24.21 N ATOM 694 CZ ARG A 188 -3.280 8.371 8.377 1.00 12.11 C ATOM 695 NH1 ARG A 188 -2.744 8.842 9.454 1.00 72.31 N ATOM 696 NH2 ARG A 188 -3.192 9.043 7.277 1.00 71.22 N ATOM 0 H ARG A 188 -0.987 4.586 11.332 1.00 42.00 H new ATOM 0 HA ARG A 188 -3.640 5.515 12.162 1.00 70.23 H new ATOM 0 HB2 ARG A 188 -2.804 3.217 10.340 1.00 43.21 H new ATOM 0 HB3 ARG A 188 -4.446 3.784 10.577 1.00 43.21 H new ATOM 0 HG2 ARG A 188 -2.174 5.360 9.311 1.00 72.00 H new ATOM 0 HG3 ARG A 188 -3.512 4.612 8.462 1.00 72.00 H new ATOM 0 HD2 ARG A 188 -5.097 6.109 9.741 1.00 63.52 H new ATOM 0 HD3 ARG A 188 -3.712 6.905 10.461 1.00 63.52 H new ATOM 0 HE ARG A 188 -4.422 6.954 7.549 1.00 24.21 H new ATOM 0 HH11 ARG A 188 -2.837 8.335 10.334 1.00 72.31 H new ATOM 0 HH12 ARG A 188 -2.228 9.721 9.424 1.00 72.31 H new ATOM 0 HH21 ARG A 188 -3.641 8.695 6.430 1.00 71.22 H new ATOM 0 HH22 ARG A 188 -2.674 9.921 7.256 1.00 71.22 H new ATOM 710 N GLY A 189 -2.177 2.886 13.401 1.00 32.22 N ATOM 711 CA GLY A 189 -2.285 1.808 14.387 1.00 3.34 C ATOM 712 C GLY A 189 -2.474 0.429 13.755 1.00 44.23 C ATOM 713 O GLY A 189 -3.278 -0.377 14.229 1.00 31.43 O ATOM 0 H GLY A 189 -1.229 3.059 13.066 1.00 32.22 H new ATOM 0 HA2 GLY A 189 -1.386 1.798 15.004 1.00 3.34 H new ATOM 0 HA3 GLY A 189 -3.125 2.014 15.051 1.00 3.34 H new ATOM 717 N LEU A 190 -1.725 0.156 12.685 1.00 74.44 N ATOM 718 CA LEU A 190 -1.817 -1.118 11.957 1.00 65.42 C ATOM 719 C LEU A 190 -0.434 -1.781 11.806 1.00 42.34 C ATOM 720 O LEU A 190 0.601 -1.131 11.959 1.00 75.20 O ATOM 721 CB LEU A 190 -2.429 -0.885 10.566 1.00 53.20 C ATOM 722 CG LEU A 190 -3.850 -0.293 10.553 1.00 72.43 C ATOM 723 CD1 LEU A 190 -4.294 0.020 9.124 1.00 61.42 C ATOM 724 CD2 LEU A 190 -4.837 -1.246 11.226 1.00 52.01 C ATOM 0 H LEU A 190 -1.040 0.805 12.298 1.00 74.44 H new ATOM 0 HA LEU A 190 -2.456 -1.786 12.534 1.00 65.42 H new ATOM 0 HB2 LEU A 190 -1.772 -0.218 10.007 1.00 53.20 H new ATOM 0 HB3 LEU A 190 -2.446 -1.836 10.033 1.00 53.20 H new ATOM 0 HG LEU A 190 -3.835 0.640 11.117 1.00 72.43 H new ATOM 0 HD11 LEU A 190 -5.301 0.437 9.139 1.00 61.42 H new ATOM 0 HD12 LEU A 190 -3.609 0.742 8.680 1.00 61.42 H new ATOM 0 HD13 LEU A 190 -4.290 -0.896 8.533 1.00 61.42 H new ATOM 0 HD21 LEU A 190 -5.835 -0.809 11.206 1.00 52.01 H new ATOM 0 HD22 LEU A 190 -4.846 -2.197 10.693 1.00 52.01 H new ATOM 0 HD23 LEU A 190 -4.534 -1.413 12.260 1.00 52.01 H new ATOM 736 N ILE A 191 -0.425 -3.077 11.487 1.00 34.31 N ATOM 737 CA ILE A 191 0.830 -3.825 11.287 1.00 72.23 C ATOM 738 C ILE A 191 0.820 -4.587 9.947 1.00 72.15 C ATOM 739 O ILE A 191 -0.209 -5.136 9.547 1.00 20.23 O ATOM 740 CB ILE A 191 1.096 -4.829 12.446 1.00 23.23 C ATOM 741 CG1 ILE A 191 -0.081 -5.811 12.601 1.00 14.34 C ATOM 742 CG2 ILE A 191 1.359 -4.082 13.753 1.00 21.34 C ATOM 743 CD1 ILE A 191 0.135 -6.869 13.668 1.00 24.23 C ATOM 0 H ILE A 191 -1.269 -3.635 11.360 1.00 34.31 H new ATOM 0 HA ILE A 191 1.632 -3.087 11.274 1.00 72.23 H new ATOM 0 HB ILE A 191 1.986 -5.408 12.200 1.00 23.23 H new ATOM 0 HG12 ILE A 191 -0.982 -5.247 12.840 1.00 14.34 H new ATOM 0 HG13 ILE A 191 -0.258 -6.304 11.645 1.00 14.34 H new ATOM 0 HG21 ILE A 191 1.543 -4.800 14.552 1.00 21.34 H new ATOM 0 HG22 ILE A 191 2.231 -3.439 13.635 1.00 21.34 H new ATOM 0 HG23 ILE A 191 0.491 -3.473 14.005 1.00 21.34 H new ATOM 0 HD11 ILE A 191 -0.737 -7.521 13.716 1.00 24.23 H new ATOM 0 HD12 ILE A 191 1.017 -7.460 13.421 1.00 24.23 H new ATOM 0 HD13 ILE A 191 0.281 -6.387 14.634 1.00 24.23 H new ATOM 755 N PRO A 192 1.976 -4.664 9.249 1.00 32.12 N ATOM 756 CA PRO A 192 2.063 -5.283 7.903 1.00 24.12 C ATOM 757 C PRO A 192 1.651 -6.769 7.874 1.00 50.41 C ATOM 758 O PRO A 192 1.340 -7.317 6.817 1.00 42.43 O ATOM 759 CB PRO A 192 3.547 -5.127 7.531 1.00 70.21 C ATOM 760 CG PRO A 192 4.253 -4.927 8.832 1.00 63.42 C ATOM 761 CD PRO A 192 3.290 -4.170 9.706 1.00 21.44 C ATOM 0 HA PRO A 192 1.375 -4.804 7.207 1.00 24.12 H new ATOM 0 HB2 PRO A 192 3.919 -6.011 7.012 1.00 70.21 H new ATOM 0 HB3 PRO A 192 3.700 -4.278 6.865 1.00 70.21 H new ATOM 0 HG2 PRO A 192 4.522 -5.882 9.282 1.00 63.42 H new ATOM 0 HG3 PRO A 192 5.178 -4.368 8.693 1.00 63.42 H new ATOM 0 HD2 PRO A 192 3.455 -4.377 10.763 1.00 21.44 H new ATOM 0 HD3 PRO A 192 3.385 -3.092 9.574 1.00 21.44 H new ATOM 769 N GLU A 193 1.665 -7.421 9.034 1.00 24.32 N ATOM 770 CA GLU A 193 1.250 -8.827 9.136 1.00 64.43 C ATOM 771 C GLU A 193 -0.277 -8.976 9.082 1.00 74.12 C ATOM 772 O GLU A 193 -0.798 -9.991 8.618 1.00 51.41 O ATOM 773 CB GLU A 193 1.791 -9.448 10.432 1.00 51.40 C ATOM 774 CG GLU A 193 3.312 -9.488 10.503 1.00 52.14 C ATOM 775 CD GLU A 193 3.934 -10.217 9.320 1.00 60.43 C ATOM 776 OE1 GLU A 193 3.759 -11.449 9.216 1.00 53.21 O ATOM 777 OE2 GLU A 193 4.584 -9.559 8.479 1.00 43.40 O ATOM 0 H GLU A 193 1.958 -7.004 9.917 1.00 24.32 H new ATOM 0 HA GLU A 193 1.667 -9.355 8.279 1.00 64.43 H new ATOM 0 HB2 GLU A 193 1.411 -8.881 11.282 1.00 51.40 H new ATOM 0 HB3 GLU A 193 1.405 -10.463 10.527 1.00 51.40 H new ATOM 0 HG2 GLU A 193 3.697 -8.469 10.541 1.00 52.14 H new ATOM 0 HG3 GLU A 193 3.616 -9.978 11.428 1.00 52.14 H new ATOM 784 N CYS A 194 -0.987 -7.949 9.540 1.00 72.11 N ATOM 785 CA CYS A 194 -2.455 -7.983 9.608 1.00 51.15 C ATOM 786 C CYS A 194 -3.089 -7.097 8.527 1.00 64.30 C ATOM 787 O CYS A 194 -4.260 -6.732 8.616 1.00 24.11 O ATOM 788 CB CYS A 194 -2.925 -7.525 10.999 1.00 13.11 C ATOM 789 SG CYS A 194 -4.718 -7.568 11.237 1.00 73.33 S ATOM 0 H CYS A 194 -0.573 -7.078 9.872 1.00 72.11 H new ATOM 0 HA CYS A 194 -2.775 -9.010 9.432 1.00 51.15 H new ATOM 0 HB2 CYS A 194 -2.456 -8.157 11.753 1.00 13.11 H new ATOM 0 HB3 CYS A 194 -2.573 -6.508 11.171 1.00 13.11 H new ATOM 0 HG CYS A 194 -5.311 -7.474 10.084 1.00 73.33 H new ATOM 795 N CYS A 195 -2.321 -6.769 7.493 1.00 61.30 N ATOM 796 CA CYS A 195 -2.808 -5.888 6.425 1.00 20.11 C ATOM 797 C CYS A 195 -2.545 -6.477 5.032 1.00 64.41 C ATOM 798 O CYS A 195 -1.433 -6.907 4.718 1.00 73.21 O ATOM 799 CB CYS A 195 -2.163 -4.502 6.547 1.00 61.30 C ATOM 800 SG CYS A 195 -2.580 -3.623 8.074 1.00 41.31 S ATOM 0 H CYS A 195 -1.363 -7.096 7.368 1.00 61.30 H new ATOM 0 HA CYS A 195 -3.888 -5.794 6.542 1.00 20.11 H new ATOM 0 HB2 CYS A 195 -1.080 -4.611 6.487 1.00 61.30 H new ATOM 0 HB3 CYS A 195 -2.470 -3.894 5.696 1.00 61.30 H new ATOM 0 HG CYS A 195 -1.770 -3.991 9.022 1.00 41.31 H new ATOM 806 N ALA A 196 -3.589 -6.498 4.205 1.00 65.41 N ATOM 807 CA ALA A 196 -3.506 -7.012 2.834 1.00 11.03 C ATOM 808 C ALA A 196 -3.624 -5.880 1.810 1.00 61.32 C ATOM 809 O ALA A 196 -4.635 -5.187 1.762 1.00 54.13 O ATOM 810 CB ALA A 196 -4.611 -8.035 2.594 1.00 14.44 C ATOM 0 H ALA A 196 -4.516 -6.160 4.464 1.00 65.41 H new ATOM 0 HA ALA A 196 -2.533 -7.487 2.711 1.00 11.03 H new ATOM 0 HB1 ALA A 196 -4.542 -8.412 1.574 1.00 14.44 H new ATOM 0 HB2 ALA A 196 -4.499 -8.862 3.295 1.00 14.44 H new ATOM 0 HB3 ALA A 196 -5.582 -7.563 2.742 1.00 14.44 H new ATOM 816 N VAL A 197 -2.594 -5.702 0.994 1.00 71.14 N ATOM 817 CA VAL A 197 -2.598 -4.663 -0.042 1.00 72.41 C ATOM 818 C VAL A 197 -2.943 -5.255 -1.415 1.00 41.24 C ATOM 819 O VAL A 197 -2.266 -6.165 -1.891 1.00 22.10 O ATOM 820 CB VAL A 197 -1.222 -3.950 -0.135 1.00 62.01 C ATOM 821 CG1 VAL A 197 -1.263 -2.804 -1.148 1.00 52.11 C ATOM 822 CG2 VAL A 197 -0.777 -3.445 1.235 1.00 41.21 C ATOM 0 H VAL A 197 -1.742 -6.261 1.025 1.00 71.14 H new ATOM 0 HA VAL A 197 -3.359 -3.936 0.243 1.00 72.41 H new ATOM 0 HB VAL A 197 -0.491 -4.680 -0.482 1.00 62.01 H new ATOM 0 HG11 VAL A 197 -0.286 -2.323 -1.192 1.00 52.11 H new ATOM 0 HG12 VAL A 197 -1.519 -3.197 -2.132 1.00 52.11 H new ATOM 0 HG13 VAL A 197 -2.013 -2.075 -0.842 1.00 52.11 H new ATOM 0 HG21 VAL A 197 0.189 -2.949 1.144 1.00 41.21 H new ATOM 0 HG22 VAL A 197 -1.513 -2.738 1.619 1.00 41.21 H new ATOM 0 HG23 VAL A 197 -0.690 -4.287 1.922 1.00 41.21 H new ATOM 832 N TYR A 198 -3.998 -4.749 -2.050 1.00 55.40 N ATOM 833 CA TYR A 198 -4.341 -5.179 -3.410 1.00 40.33 C ATOM 834 C TYR A 198 -4.662 -3.981 -4.314 1.00 41.10 C ATOM 835 O TYR A 198 -5.107 -2.929 -3.848 1.00 33.24 O ATOM 836 CB TYR A 198 -5.518 -6.175 -3.400 1.00 3.14 C ATOM 837 CG TYR A 198 -6.853 -5.587 -2.966 1.00 2.40 C ATOM 838 CD1 TYR A 198 -7.685 -4.944 -3.879 1.00 65.24 C ATOM 839 CD2 TYR A 198 -7.287 -5.682 -1.646 1.00 21.34 C ATOM 840 CE1 TYR A 198 -8.898 -4.413 -3.492 1.00 21.14 C ATOM 841 CE2 TYR A 198 -8.503 -5.156 -1.255 1.00 0.35 C ATOM 842 CZ TYR A 198 -9.303 -4.522 -2.182 1.00 2.24 C ATOM 843 OH TYR A 198 -10.514 -3.992 -1.796 1.00 54.42 O ATOM 0 H TYR A 198 -4.625 -4.049 -1.654 1.00 55.40 H new ATOM 0 HA TYR A 198 -3.466 -5.686 -3.818 1.00 40.33 H new ATOM 0 HB2 TYR A 198 -5.630 -6.593 -4.401 1.00 3.14 H new ATOM 0 HB3 TYR A 198 -5.269 -7.002 -2.735 1.00 3.14 H new ATOM 0 HD1 TYR A 198 -7.375 -4.859 -4.910 1.00 65.24 H new ATOM 0 HD2 TYR A 198 -6.662 -6.175 -0.916 1.00 21.34 H new ATOM 0 HE1 TYR A 198 -9.527 -3.914 -4.214 1.00 21.14 H new ATOM 0 HE2 TYR A 198 -8.826 -5.241 -0.228 1.00 0.35 H new ATOM 0 HH TYR A 198 -10.652 -4.154 -0.839 1.00 54.42 H new ATOM 853 N ARG A 199 -4.424 -4.151 -5.609 1.00 15.15 N ATOM 854 CA ARG A 199 -4.745 -3.124 -6.605 1.00 2.40 C ATOM 855 C ARG A 199 -5.827 -3.630 -7.567 1.00 3.22 C ATOM 856 O ARG A 199 -5.848 -4.805 -7.929 1.00 42.30 O ATOM 857 CB ARG A 199 -3.480 -2.734 -7.385 1.00 43.44 C ATOM 858 CG ARG A 199 -2.843 -3.898 -8.135 1.00 15.04 C ATOM 859 CD ARG A 199 -1.610 -3.468 -8.921 1.00 74.43 C ATOM 860 NE ARG A 199 -1.920 -2.449 -9.925 1.00 4.15 N ATOM 861 CZ ARG A 199 -1.489 -2.485 -11.158 1.00 74.31 C ATOM 862 NH1 ARG A 199 -0.832 -3.514 -11.592 1.00 24.22 N ATOM 863 NH2 ARG A 199 -1.741 -1.508 -11.966 1.00 12.40 N ATOM 0 H ARG A 199 -4.007 -4.995 -6.001 1.00 15.15 H new ATOM 0 HA ARG A 199 -5.127 -2.243 -6.088 1.00 2.40 H new ATOM 0 HB2 ARG A 199 -3.730 -1.947 -8.097 1.00 43.44 H new ATOM 0 HB3 ARG A 199 -2.750 -2.316 -6.692 1.00 43.44 H new ATOM 0 HG2 ARG A 199 -2.566 -4.678 -7.425 1.00 15.04 H new ATOM 0 HG3 ARG A 199 -3.574 -4.332 -8.817 1.00 15.04 H new ATOM 0 HD2 ARG A 199 -0.860 -3.080 -8.232 1.00 74.43 H new ATOM 0 HD3 ARG A 199 -1.173 -4.338 -9.412 1.00 74.43 H new ATOM 0 HE ARG A 199 -2.508 -1.664 -9.645 1.00 4.15 H new ATOM 0 HH11 ARG A 199 -0.649 -4.302 -10.970 1.00 24.22 H new ATOM 0 HH12 ARG A 199 -0.498 -3.537 -12.556 1.00 24.22 H new ATOM 0 HH21 ARG A 199 -2.279 -0.704 -11.642 1.00 12.40 H new ATOM 0 HH22 ARG A 199 -1.402 -1.541 -12.928 1.00 12.40 H new ATOM 877 N ILE A 200 -6.729 -2.744 -7.975 1.00 71.25 N ATOM 878 CA ILE A 200 -7.826 -3.123 -8.871 1.00 71.55 C ATOM 879 C ILE A 200 -7.538 -2.697 -10.320 1.00 21.13 C ATOM 880 O ILE A 200 -7.166 -1.551 -10.581 1.00 75.21 O ATOM 881 CB ILE A 200 -9.175 -2.507 -8.408 1.00 44.13 C ATOM 882 CG1 ILE A 200 -9.476 -2.911 -6.951 1.00 73.20 C ATOM 883 CG2 ILE A 200 -10.311 -2.940 -9.338 1.00 23.44 C ATOM 884 CD1 ILE A 200 -10.769 -2.335 -6.404 1.00 74.14 C ATOM 0 H ILE A 200 -6.726 -1.761 -7.703 1.00 71.25 H new ATOM 0 HA ILE A 200 -7.904 -4.209 -8.832 1.00 71.55 H new ATOM 0 HB ILE A 200 -9.095 -1.421 -8.454 1.00 44.13 H new ATOM 0 HG12 ILE A 200 -9.520 -3.998 -6.888 1.00 73.20 H new ATOM 0 HG13 ILE A 200 -8.650 -2.588 -6.317 1.00 73.20 H new ATOM 0 HG21 ILE A 200 -11.248 -2.499 -8.998 1.00 23.44 H new ATOM 0 HG22 ILE A 200 -10.099 -2.603 -10.353 1.00 23.44 H new ATOM 0 HG23 ILE A 200 -10.396 -4.027 -9.327 1.00 23.44 H new ATOM 0 HD11 ILE A 200 -10.908 -2.666 -5.375 1.00 74.14 H new ATOM 0 HD12 ILE A 200 -10.723 -1.246 -6.432 1.00 74.14 H new ATOM 0 HD13 ILE A 200 -11.606 -2.679 -7.012 1.00 74.14 H new ATOM 896 N GLN A 201 -7.697 -3.636 -11.250 1.00 71.11 N ATOM 897 CA GLN A 201 -7.502 -3.359 -12.677 1.00 71.11 C ATOM 898 C GLN A 201 -8.173 -4.441 -13.541 1.00 3.04 C ATOM 899 O GLN A 201 -8.033 -5.638 -13.271 1.00 53.23 O ATOM 900 CB GLN A 201 -5.999 -3.269 -12.998 1.00 12.14 C ATOM 901 CG GLN A 201 -5.690 -2.735 -14.394 1.00 53.31 C ATOM 902 CD GLN A 201 -4.197 -2.616 -14.667 1.00 13.52 C ATOM 903 OE1 GLN A 201 -3.580 -1.584 -14.408 1.00 55.44 O ATOM 904 NE2 GLN A 201 -3.603 -3.665 -15.196 1.00 43.02 N ATOM 0 H GLN A 201 -7.961 -4.599 -11.043 1.00 71.11 H new ATOM 0 HA GLN A 201 -7.969 -2.402 -12.910 1.00 71.11 H new ATOM 0 HB2 GLN A 201 -5.519 -2.626 -12.260 1.00 12.14 H new ATOM 0 HB3 GLN A 201 -5.556 -4.260 -12.894 1.00 12.14 H new ATOM 0 HG2 GLN A 201 -6.138 -3.395 -15.137 1.00 53.31 H new ATOM 0 HG3 GLN A 201 -6.155 -1.757 -14.514 1.00 53.31 H new ATOM 0 HE21 GLN A 201 -4.141 -4.507 -15.400 1.00 43.02 H new ATOM 0 HE22 GLN A 201 -2.604 -3.636 -15.402 1.00 43.02 H new ATOM 913 N ASP A 202 -8.915 -4.010 -14.567 1.00 2.34 N ATOM 914 CA ASP A 202 -9.634 -4.928 -15.469 1.00 32.25 C ATOM 915 C ASP A 202 -10.672 -5.782 -14.716 1.00 32.13 C ATOM 916 O ASP A 202 -11.002 -6.894 -15.136 1.00 51.05 O ATOM 917 CB ASP A 202 -8.645 -5.831 -16.220 1.00 33.12 C ATOM 918 CG ASP A 202 -7.790 -5.059 -17.207 1.00 13.13 C ATOM 919 OD1 ASP A 202 -8.222 -4.888 -18.365 1.00 54.22 O ATOM 920 OD2 ASP A 202 -6.685 -4.616 -16.834 1.00 5.34 O ATOM 0 H ASP A 202 -9.036 -3.024 -14.798 1.00 2.34 H new ATOM 0 HA ASP A 202 -10.174 -4.315 -16.190 1.00 32.25 H new ATOM 0 HB2 ASP A 202 -7.999 -6.335 -15.501 1.00 33.12 H new ATOM 0 HB3 ASP A 202 -9.197 -6.607 -16.751 1.00 33.12 H new ATOM 925 N GLY A 203 -11.206 -5.246 -13.620 1.00 30.04 N ATOM 926 CA GLY A 203 -12.192 -5.977 -12.829 1.00 74.21 C ATOM 927 C GLY A 203 -11.576 -7.037 -11.922 1.00 52.22 C ATOM 928 O GLY A 203 -12.287 -7.869 -11.355 1.00 43.31 O ATOM 0 H GLY A 203 -10.975 -4.319 -13.263 1.00 30.04 H new ATOM 0 HA2 GLY A 203 -12.754 -5.270 -12.219 1.00 74.21 H new ATOM 0 HA3 GLY A 203 -12.905 -6.455 -13.502 1.00 74.21 H new ATOM 932 N GLU A 204 -10.251 -7.022 -11.790 1.00 62.15 N ATOM 933 CA GLU A 204 -9.553 -7.957 -10.902 1.00 14.32 C ATOM 934 C GLU A 204 -8.874 -7.234 -9.737 1.00 20.50 C ATOM 935 O GLU A 204 -8.379 -6.114 -9.883 1.00 2.43 O ATOM 936 CB GLU A 204 -8.494 -8.763 -11.666 1.00 23.33 C ATOM 937 CG GLU A 204 -9.054 -9.677 -12.747 1.00 25.13 C ATOM 938 CD GLU A 204 -8.031 -10.702 -13.210 1.00 13.52 C ATOM 939 OE1 GLU A 204 -7.143 -10.351 -14.018 1.00 13.52 O ATOM 940 OE2 GLU A 204 -8.092 -11.857 -12.740 1.00 42.35 O ATOM 0 H GLU A 204 -9.638 -6.375 -12.285 1.00 62.15 H new ATOM 0 HA GLU A 204 -10.312 -8.632 -10.507 1.00 14.32 H new ATOM 0 HB2 GLU A 204 -7.789 -8.070 -12.124 1.00 23.33 H new ATOM 0 HB3 GLU A 204 -7.931 -9.366 -10.954 1.00 23.33 H new ATOM 0 HG2 GLU A 204 -9.936 -10.191 -12.366 1.00 25.13 H new ATOM 0 HG3 GLU A 204 -9.377 -9.077 -13.598 1.00 25.13 H new ATOM 947 N LYS A 205 -8.856 -7.890 -8.581 1.00 12.04 N ATOM 948 CA LYS A 205 -8.124 -7.403 -7.409 1.00 1.35 C ATOM 949 C LYS A 205 -6.809 -8.181 -7.243 1.00 33.44 C ATOM 950 O LYS A 205 -6.804 -9.329 -6.796 1.00 22.33 O ATOM 951 CB LYS A 205 -8.991 -7.535 -6.147 1.00 31.43 C ATOM 952 CG LYS A 205 -10.270 -6.704 -6.200 1.00 33.12 C ATOM 953 CD LYS A 205 -11.148 -6.927 -4.970 1.00 21.12 C ATOM 954 CE LYS A 205 -12.416 -6.086 -5.029 1.00 74.52 C ATOM 955 NZ LYS A 205 -13.285 -6.314 -3.845 1.00 2.35 N ATOM 0 H LYS A 205 -9.346 -8.771 -8.427 1.00 12.04 H new ATOM 0 HA LYS A 205 -7.887 -6.349 -7.556 1.00 1.35 H new ATOM 0 HB2 LYS A 205 -9.253 -8.583 -6.004 1.00 31.43 H new ATOM 0 HB3 LYS A 205 -8.405 -7.231 -5.279 1.00 31.43 H new ATOM 0 HG2 LYS A 205 -10.013 -5.647 -6.275 1.00 33.12 H new ATOM 0 HG3 LYS A 205 -10.832 -6.960 -7.098 1.00 33.12 H new ATOM 0 HD2 LYS A 205 -11.413 -7.982 -4.897 1.00 21.12 H new ATOM 0 HD3 LYS A 205 -10.586 -6.677 -4.070 1.00 21.12 H new ATOM 0 HE2 LYS A 205 -12.150 -5.031 -5.087 1.00 74.52 H new ATOM 0 HE3 LYS A 205 -12.969 -6.325 -5.937 1.00 74.52 H new ATOM 0 HZ1 LYS A 205 -14.138 -5.724 -3.922 1.00 2.35 H new ATOM 0 HZ2 LYS A 205 -13.560 -7.316 -3.804 1.00 2.35 H new ATOM 0 HZ3 LYS A 205 -12.766 -6.062 -2.980 1.00 2.35 H new ATOM 969 N LYS A 206 -5.702 -7.559 -7.637 1.00 40.32 N ATOM 970 CA LYS A 206 -4.388 -8.211 -7.605 1.00 61.21 C ATOM 971 C LYS A 206 -3.685 -8.010 -6.251 1.00 40.14 C ATOM 972 O LYS A 206 -3.333 -6.883 -5.894 1.00 41.42 O ATOM 973 CB LYS A 206 -3.503 -7.666 -8.736 1.00 14.14 C ATOM 974 CG LYS A 206 -2.175 -8.402 -8.889 1.00 70.11 C ATOM 975 CD LYS A 206 -2.391 -9.870 -9.256 1.00 13.25 C ATOM 976 CE LYS A 206 -1.079 -10.637 -9.370 1.00 51.44 C ATOM 977 NZ LYS A 206 -1.299 -12.057 -9.761 1.00 24.44 N ATOM 0 H LYS A 206 -5.684 -6.600 -7.984 1.00 40.32 H new ATOM 0 HA LYS A 206 -4.546 -9.280 -7.745 1.00 61.21 H new ATOM 0 HB2 LYS A 206 -4.052 -7.727 -9.676 1.00 14.14 H new ATOM 0 HB3 LYS A 206 -3.303 -6.610 -8.552 1.00 14.14 H new ATOM 0 HG2 LYS A 206 -1.575 -7.917 -9.659 1.00 70.11 H new ATOM 0 HG3 LYS A 206 -1.612 -8.337 -7.958 1.00 70.11 H new ATOM 0 HD2 LYS A 206 -3.021 -10.342 -8.502 1.00 13.25 H new ATOM 0 HD3 LYS A 206 -2.928 -9.930 -10.203 1.00 13.25 H new ATOM 0 HE2 LYS A 206 -0.438 -10.153 -10.107 1.00 51.44 H new ATOM 0 HE3 LYS A 206 -0.553 -10.600 -8.416 1.00 51.44 H new ATOM 0 HZ1 LYS A 206 -0.383 -12.545 -9.828 1.00 24.44 H new ATOM 0 HZ2 LYS A 206 -1.890 -12.527 -9.045 1.00 24.44 H new ATOM 0 HZ3 LYS A 206 -1.778 -12.093 -10.683 1.00 24.44 H new ATOM 991 N PRO A 207 -3.484 -9.098 -5.473 1.00 62.21 N ATOM 992 CA PRO A 207 -2.752 -9.037 -4.192 1.00 55.54 C ATOM 993 C PRO A 207 -1.272 -8.654 -4.377 1.00 70.53 C ATOM 994 O PRO A 207 -0.609 -9.116 -5.309 1.00 51.41 O ATOM 995 CB PRO A 207 -2.876 -10.467 -3.628 1.00 62.52 C ATOM 996 CG PRO A 207 -3.997 -11.092 -4.393 1.00 63.22 C ATOM 997 CD PRO A 207 -3.963 -10.462 -5.757 1.00 2.53 C ATOM 0 HA PRO A 207 -3.161 -8.272 -3.531 1.00 55.54 H new ATOM 0 HB2 PRO A 207 -1.949 -11.025 -3.761 1.00 62.52 H new ATOM 0 HB3 PRO A 207 -3.089 -10.452 -2.559 1.00 62.52 H new ATOM 0 HG2 PRO A 207 -3.871 -12.173 -4.458 1.00 63.22 H new ATOM 0 HG3 PRO A 207 -4.954 -10.911 -3.903 1.00 63.22 H new ATOM 0 HD2 PRO A 207 -3.293 -10.994 -6.432 1.00 2.53 H new ATOM 0 HD3 PRO A 207 -4.948 -10.456 -6.225 1.00 2.53 H new ATOM 1005 N ILE A 208 -0.761 -7.812 -3.483 1.00 34.50 N ATOM 1006 CA ILE A 208 0.613 -7.310 -3.580 1.00 23.23 C ATOM 1007 C ILE A 208 1.453 -7.734 -2.363 1.00 51.21 C ATOM 1008 O ILE A 208 0.956 -7.785 -1.235 1.00 61.15 O ATOM 1009 CB ILE A 208 0.619 -5.763 -3.689 1.00 21.03 C ATOM 1010 CG1 ILE A 208 -0.306 -5.303 -4.833 1.00 21.42 C ATOM 1011 CG2 ILE A 208 2.041 -5.237 -3.900 1.00 62.22 C ATOM 1012 CD1 ILE A 208 -0.476 -3.803 -4.916 1.00 22.34 C ATOM 0 H ILE A 208 -1.278 -7.459 -2.678 1.00 34.50 H new ATOM 0 HA ILE A 208 1.055 -7.743 -4.478 1.00 23.23 H new ATOM 0 HB ILE A 208 0.243 -5.352 -2.752 1.00 21.03 H new ATOM 0 HG12 ILE A 208 0.094 -5.667 -5.779 1.00 21.42 H new ATOM 0 HG13 ILE A 208 -1.285 -5.763 -4.703 1.00 21.42 H new ATOM 0 HG21 ILE A 208 2.020 -4.150 -3.973 1.00 62.22 H new ATOM 0 HG22 ILE A 208 2.667 -5.531 -3.057 1.00 62.22 H new ATOM 0 HG23 ILE A 208 2.451 -5.655 -4.820 1.00 62.22 H new ATOM 0 HD11 ILE A 208 -1.140 -3.557 -5.745 1.00 22.34 H new ATOM 0 HD12 ILE A 208 -0.906 -3.433 -3.985 1.00 22.34 H new ATOM 0 HD13 ILE A 208 0.495 -3.335 -5.078 1.00 22.34 H new ATOM 1024 N GLY A 209 2.721 -8.055 -2.603 1.00 74.12 N ATOM 1025 CA GLY A 209 3.627 -8.407 -1.518 1.00 42.44 C ATOM 1026 C GLY A 209 4.328 -7.191 -0.920 1.00 31.32 C ATOM 1027 O GLY A 209 4.780 -6.302 -1.645 1.00 63.44 O ATOM 0 H GLY A 209 3.141 -8.078 -3.532 1.00 74.12 H new ATOM 0 HA2 GLY A 209 3.068 -8.921 -0.736 1.00 42.44 H new ATOM 0 HA3 GLY A 209 4.376 -9.108 -1.888 1.00 42.44 H new ATOM 1031 N TRP A 210 4.433 -7.151 0.409 1.00 42.14 N ATOM 1032 CA TRP A 210 5.094 -6.039 1.104 1.00 32.03 C ATOM 1033 C TRP A 210 6.588 -5.944 0.740 1.00 24.14 C ATOM 1034 O TRP A 210 7.233 -4.911 0.954 1.00 11.21 O ATOM 1035 CB TRP A 210 4.929 -6.197 2.623 1.00 71.41 C ATOM 1036 CG TRP A 210 3.507 -6.041 3.095 1.00 14.15 C ATOM 1037 CD1 TRP A 210 2.558 -7.019 3.206 1.00 60.42 C ATOM 1038 CD2 TRP A 210 2.876 -4.825 3.519 1.00 41.13 C ATOM 1039 NE1 TRP A 210 1.380 -6.483 3.673 1.00 61.44 N ATOM 1040 CE2 TRP A 210 1.551 -5.140 3.870 1.00 64.54 C ATOM 1041 CE3 TRP A 210 3.304 -3.499 3.633 1.00 51.21 C ATOM 1042 CZ2 TRP A 210 0.654 -4.178 4.329 1.00 31.32 C ATOM 1043 CZ3 TRP A 210 2.415 -2.546 4.090 1.00 54.24 C ATOM 1044 CH2 TRP A 210 1.102 -2.890 4.435 1.00 43.50 C ATOM 0 H TRP A 210 4.069 -7.875 1.029 1.00 42.14 H new ATOM 0 HA TRP A 210 4.617 -5.114 0.780 1.00 32.03 H new ATOM 0 HB2 TRP A 210 5.296 -7.180 2.920 1.00 71.41 H new ATOM 0 HB3 TRP A 210 5.553 -5.459 3.127 1.00 71.41 H new ATOM 0 HD1 TRP A 210 2.711 -8.060 2.963 1.00 60.42 H new ATOM 0 HE1 TRP A 210 0.519 -7.003 3.844 1.00 61.44 H new ATOM 0 HE3 TRP A 210 4.314 -3.224 3.368 1.00 51.21 H new ATOM 0 HZ2 TRP A 210 -0.360 -4.440 4.592 1.00 31.32 H new ATOM 0 HZ3 TRP A 210 2.737 -1.519 4.183 1.00 54.24 H new ATOM 0 HH2 TRP A 210 0.430 -2.123 4.792 1.00 43.50 H new ATOM 1055 N ASP A 211 7.122 -7.028 0.180 1.00 10.52 N ATOM 1056 CA ASP A 211 8.526 -7.099 -0.243 1.00 23.14 C ATOM 1057 C ASP A 211 8.755 -6.447 -1.622 1.00 43.43 C ATOM 1058 O ASP A 211 9.899 -6.254 -2.044 1.00 35.42 O ATOM 1059 CB ASP A 211 8.964 -8.567 -0.287 1.00 11.22 C ATOM 1060 CG ASP A 211 8.085 -9.407 -1.204 1.00 4.41 C ATOM 1061 OD1 ASP A 211 6.933 -9.701 -0.821 1.00 61.13 O ATOM 1062 OD2 ASP A 211 8.534 -9.776 -2.310 1.00 52.43 O ATOM 0 H ASP A 211 6.596 -7.884 0.005 1.00 10.52 H new ATOM 0 HA ASP A 211 9.122 -6.543 0.481 1.00 23.14 H new ATOM 0 HB2 ASP A 211 9.998 -8.625 -0.626 1.00 11.22 H new ATOM 0 HB3 ASP A 211 8.935 -8.982 0.720 1.00 11.22 H new ATOM 1067 N THR A 212 7.670 -6.120 -2.317 1.00 41.24 N ATOM 1068 CA THR A 212 7.750 -5.558 -3.675 1.00 53.30 C ATOM 1069 C THR A 212 8.066 -4.053 -3.660 1.00 54.14 C ATOM 1070 O THR A 212 7.616 -3.322 -2.776 1.00 32.42 O ATOM 1071 CB THR A 212 6.423 -5.786 -4.444 1.00 22.44 C ATOM 1072 OG1 THR A 212 6.112 -7.188 -4.479 1.00 44.11 O ATOM 1073 CG2 THR A 212 6.496 -5.245 -5.873 1.00 20.22 C ATOM 0 H THR A 212 6.719 -6.232 -1.967 1.00 41.24 H new ATOM 0 HA THR A 212 8.564 -6.078 -4.179 1.00 53.30 H new ATOM 0 HB THR A 212 5.639 -5.243 -3.916 1.00 22.44 H new ATOM 0 HG1 THR A 212 5.272 -7.325 -4.965 1.00 44.11 H new ATOM 0 HG21 THR A 212 5.547 -5.424 -6.379 1.00 20.22 H new ATOM 0 HG22 THR A 212 6.697 -4.174 -5.847 1.00 20.22 H new ATOM 0 HG23 THR A 212 7.296 -5.751 -6.413 1.00 20.22 H new ATOM 1081 N ASP A 213 8.854 -3.602 -4.639 1.00 12.11 N ATOM 1082 CA ASP A 213 9.158 -2.177 -4.806 1.00 64.12 C ATOM 1083 C ASP A 213 7.895 -1.350 -5.099 1.00 24.01 C ATOM 1084 O ASP A 213 7.091 -1.701 -5.964 1.00 13.02 O ATOM 1085 CB ASP A 213 10.172 -1.981 -5.939 1.00 11.42 C ATOM 1086 CG ASP A 213 11.567 -2.428 -5.554 1.00 43.10 C ATOM 1087 OD1 ASP A 213 11.785 -3.643 -5.373 1.00 13.22 O ATOM 1088 OD2 ASP A 213 12.454 -1.562 -5.426 1.00 52.32 O ATOM 0 H ASP A 213 9.296 -4.206 -5.332 1.00 12.11 H new ATOM 0 HA ASP A 213 9.581 -1.824 -3.866 1.00 64.12 H new ATOM 0 HB2 ASP A 213 9.844 -2.539 -6.816 1.00 11.42 H new ATOM 0 HB3 ASP A 213 10.197 -0.929 -6.222 1.00 11.42 H new ATOM 1093 N ILE A 214 7.743 -0.239 -4.386 1.00 2.41 N ATOM 1094 CA ILE A 214 6.596 0.654 -4.572 1.00 63.02 C ATOM 1095 C ILE A 214 6.608 1.307 -5.973 1.00 0.31 C ATOM 1096 O ILE A 214 5.584 1.789 -6.456 1.00 62.30 O ATOM 1097 CB ILE A 214 6.568 1.746 -3.470 1.00 73.51 C ATOM 1098 CG1 ILE A 214 5.303 2.615 -3.589 1.00 25.02 C ATOM 1099 CG2 ILE A 214 7.830 2.608 -3.526 1.00 53.24 C ATOM 1100 CD1 ILE A 214 5.200 3.692 -2.532 1.00 22.22 C ATOM 0 H ILE A 214 8.401 0.069 -3.670 1.00 2.41 H new ATOM 0 HA ILE A 214 5.693 0.049 -4.491 1.00 63.02 H new ATOM 0 HB ILE A 214 6.543 1.247 -2.501 1.00 73.51 H new ATOM 0 HG12 ILE A 214 5.286 3.083 -4.573 1.00 25.02 H new ATOM 0 HG13 ILE A 214 4.425 1.972 -3.526 1.00 25.02 H new ATOM 0 HG21 ILE A 214 7.788 3.366 -2.744 1.00 53.24 H new ATOM 0 HG22 ILE A 214 8.707 1.979 -3.374 1.00 53.24 H new ATOM 0 HG23 ILE A 214 7.896 3.094 -4.500 1.00 53.24 H new ATOM 0 HD11 ILE A 214 4.283 4.262 -2.682 1.00 22.22 H new ATOM 0 HD12 ILE A 214 5.184 3.232 -1.544 1.00 22.22 H new ATOM 0 HD13 ILE A 214 6.059 4.359 -2.608 1.00 22.22 H new ATOM 1112 N SER A 215 7.773 1.293 -6.630 1.00 41.13 N ATOM 1113 CA SER A 215 7.914 1.826 -7.997 1.00 34.42 C ATOM 1114 C SER A 215 7.042 1.057 -9.003 1.00 4.13 C ATOM 1115 O SER A 215 6.685 1.578 -10.061 1.00 55.55 O ATOM 1116 CB SER A 215 9.381 1.769 -8.438 1.00 20.02 C ATOM 1117 OG SER A 215 9.875 0.440 -8.406 1.00 33.22 O ATOM 0 H SER A 215 8.637 0.918 -6.239 1.00 41.13 H new ATOM 0 HA SER A 215 7.575 2.862 -7.980 1.00 34.42 H new ATOM 0 HB2 SER A 215 9.476 2.171 -9.447 1.00 20.02 H new ATOM 0 HB3 SER A 215 9.984 2.400 -7.785 1.00 20.02 H new ATOM 0 HG SER A 215 10.812 0.432 -8.693 1.00 33.22 H new ATOM 1123 N TRP A 216 6.704 -0.188 -8.670 1.00 31.01 N ATOM 1124 CA TRP A 216 5.807 -1.003 -9.501 1.00 3.04 C ATOM 1125 C TRP A 216 4.358 -0.497 -9.415 1.00 3.24 C ATOM 1126 O TRP A 216 3.513 -0.846 -10.241 1.00 64.00 O ATOM 1127 CB TRP A 216 5.865 -2.471 -9.054 1.00 60.13 C ATOM 1128 CG TRP A 216 7.176 -3.148 -9.335 1.00 23.52 C ATOM 1129 CD1 TRP A 216 8.412 -2.781 -8.880 1.00 4.32 C ATOM 1130 CD2 TRP A 216 7.375 -4.327 -10.126 1.00 4.41 C ATOM 1131 NE1 TRP A 216 9.364 -3.654 -9.349 1.00 62.44 N ATOM 1132 CE2 TRP A 216 8.751 -4.612 -10.114 1.00 30.34 C ATOM 1133 CE3 TRP A 216 6.519 -5.167 -10.847 1.00 14.01 C ATOM 1134 CZ2 TRP A 216 9.291 -5.704 -10.790 1.00 21.21 C ATOM 1135 CZ3 TRP A 216 7.058 -6.249 -11.518 1.00 42.00 C ATOM 1136 CH2 TRP A 216 8.431 -6.508 -11.485 1.00 21.25 C ATOM 0 H TRP A 216 7.037 -0.659 -7.829 1.00 31.01 H new ATOM 0 HA TRP A 216 6.141 -0.921 -10.535 1.00 3.04 H new ATOM 0 HB2 TRP A 216 5.665 -2.522 -7.984 1.00 60.13 H new ATOM 0 HB3 TRP A 216 5.069 -3.023 -9.554 1.00 60.13 H new ATOM 0 HD1 TRP A 216 8.611 -1.930 -8.245 1.00 4.32 H new ATOM 0 HE1 TRP A 216 10.365 -3.598 -9.159 1.00 62.44 H new ATOM 0 HE3 TRP A 216 5.457 -4.974 -10.879 1.00 14.01 H new ATOM 0 HZ2 TRP A 216 10.351 -5.908 -10.766 1.00 21.21 H new ATOM 0 HZ3 TRP A 216 6.407 -6.905 -12.077 1.00 42.00 H new ATOM 0 HH2 TRP A 216 8.821 -7.361 -12.020 1.00 21.25 H new ATOM 1147 N LEU A 217 4.086 0.329 -8.407 1.00 40.41 N ATOM 1148 CA LEU A 217 2.731 0.824 -8.134 1.00 32.54 C ATOM 1149 C LEU A 217 2.634 2.343 -8.362 1.00 3.21 C ATOM 1150 O LEU A 217 1.653 2.978 -7.970 1.00 52.03 O ATOM 1151 CB LEU A 217 2.359 0.477 -6.683 1.00 25.42 C ATOM 1152 CG LEU A 217 2.565 -0.998 -6.295 1.00 15.03 C ATOM 1153 CD1 LEU A 217 2.292 -1.214 -4.809 1.00 61.51 C ATOM 1154 CD2 LEU A 217 1.681 -1.907 -7.151 1.00 54.14 C ATOM 0 H LEU A 217 4.792 0.675 -7.757 1.00 40.41 H new ATOM 0 HA LEU A 217 2.034 0.345 -8.822 1.00 32.54 H new ATOM 0 HB2 LEU A 217 2.952 1.100 -6.013 1.00 25.42 H new ATOM 0 HB3 LEU A 217 1.313 0.738 -6.519 1.00 25.42 H new ATOM 0 HG LEU A 217 3.606 -1.258 -6.484 1.00 15.03 H new ATOM 0 HD11 LEU A 217 2.444 -2.264 -4.560 1.00 61.51 H new ATOM 0 HD12 LEU A 217 2.973 -0.599 -4.221 1.00 61.51 H new ATOM 0 HD13 LEU A 217 1.263 -0.933 -4.584 1.00 61.51 H new ATOM 0 HD21 LEU A 217 1.840 -2.946 -6.862 1.00 54.14 H new ATOM 0 HD22 LEU A 217 0.634 -1.644 -6.999 1.00 54.14 H new ATOM 0 HD23 LEU A 217 1.938 -1.779 -8.203 1.00 54.14 H new ATOM 1166 N THR A 218 3.650 2.910 -9.017 1.00 75.42 N ATOM 1167 CA THR A 218 3.735 4.362 -9.254 1.00 74.32 C ATOM 1168 C THR A 218 2.461 4.934 -9.891 1.00 0.53 C ATOM 1169 O THR A 218 2.128 4.613 -11.032 1.00 22.43 O ATOM 1170 CB THR A 218 4.943 4.709 -10.165 1.00 24.34 C ATOM 1171 OG1 THR A 218 6.167 4.314 -9.530 1.00 42.33 O ATOM 1172 CG2 THR A 218 4.995 6.202 -10.478 1.00 52.22 C ATOM 0 H THR A 218 4.436 2.383 -9.398 1.00 75.42 H new ATOM 0 HA THR A 218 3.863 4.817 -8.272 1.00 74.32 H new ATOM 0 HB THR A 218 4.819 4.165 -11.101 1.00 24.34 H new ATOM 0 HG1 THR A 218 6.382 3.391 -9.780 1.00 42.33 H new ATOM 0 HG21 THR A 218 5.853 6.410 -11.118 1.00 52.22 H new ATOM 0 HG22 THR A 218 4.080 6.498 -10.990 1.00 52.22 H new ATOM 0 HG23 THR A 218 5.090 6.765 -9.550 1.00 52.22 H new ATOM 1180 N GLY A 219 1.750 5.782 -9.144 1.00 33.12 N ATOM 1181 CA GLY A 219 0.554 6.441 -9.671 1.00 1.24 C ATOM 1182 C GLY A 219 -0.739 5.666 -9.420 1.00 73.14 C ATOM 1183 O GLY A 219 -1.832 6.233 -9.496 1.00 54.13 O ATOM 0 H GLY A 219 1.979 6.027 -8.181 1.00 33.12 H new ATOM 0 HA2 GLY A 219 0.467 7.430 -9.221 1.00 1.24 H new ATOM 0 HA3 GLY A 219 0.675 6.589 -10.744 1.00 1.24 H new ATOM 1187 N GLU A 220 -0.616 4.379 -9.113 1.00 62.45 N ATOM 1188 CA GLU A 220 -1.784 3.513 -8.907 1.00 71.05 C ATOM 1189 C GLU A 220 -2.483 3.793 -7.567 1.00 25.34 C ATOM 1190 O GLU A 220 -1.956 4.496 -6.697 1.00 41.03 O ATOM 1191 CB GLU A 220 -1.369 2.035 -8.975 1.00 41.51 C ATOM 1192 CG GLU A 220 -0.802 1.605 -10.326 1.00 11.15 C ATOM 1193 CD GLU A 220 -1.792 1.790 -11.470 1.00 72.14 C ATOM 1194 OE1 GLU A 220 -2.758 0.999 -11.560 1.00 44.24 O ATOM 1195 OE2 GLU A 220 -1.600 2.714 -12.287 1.00 4.40 O ATOM 0 H GLU A 220 0.281 3.906 -9.000 1.00 62.45 H new ATOM 0 HA GLU A 220 -2.493 3.734 -9.705 1.00 71.05 H new ATOM 0 HB2 GLU A 220 -0.624 1.843 -8.203 1.00 41.51 H new ATOM 0 HB3 GLU A 220 -2.235 1.415 -8.743 1.00 41.51 H new ATOM 0 HG2 GLU A 220 0.100 2.180 -10.536 1.00 11.15 H new ATOM 0 HG3 GLU A 220 -0.507 0.557 -10.274 1.00 11.15 H new ATOM 1202 N GLU A 221 -3.680 3.232 -7.415 1.00 74.14 N ATOM 1203 CA GLU A 221 -4.462 3.373 -6.185 1.00 41.24 C ATOM 1204 C GLU A 221 -4.583 2.025 -5.459 1.00 21.41 C ATOM 1205 O GLU A 221 -5.205 1.085 -5.959 1.00 3.23 O ATOM 1206 CB GLU A 221 -5.855 3.933 -6.506 1.00 60.01 C ATOM 1207 CG GLU A 221 -5.825 5.331 -7.112 1.00 32.21 C ATOM 1208 CD GLU A 221 -7.203 5.841 -7.499 1.00 24.34 C ATOM 1209 OE1 GLU A 221 -8.074 5.957 -6.610 1.00 65.32 O ATOM 1210 OE2 GLU A 221 -7.424 6.129 -8.694 1.00 15.24 O ATOM 0 H GLU A 221 -4.135 2.670 -8.135 1.00 74.14 H new ATOM 0 HA GLU A 221 -3.945 4.070 -5.526 1.00 41.24 H new ATOM 0 HB2 GLU A 221 -6.359 3.257 -7.197 1.00 60.01 H new ATOM 0 HB3 GLU A 221 -6.448 3.955 -5.592 1.00 60.01 H new ATOM 0 HG2 GLU A 221 -5.376 6.021 -6.398 1.00 32.21 H new ATOM 0 HG3 GLU A 221 -5.185 5.325 -7.994 1.00 32.21 H new ATOM 1217 N LEU A 222 -3.993 1.944 -4.272 1.00 15.54 N ATOM 1218 CA LEU A 222 -3.973 0.698 -3.499 1.00 71.03 C ATOM 1219 C LEU A 222 -5.142 0.635 -2.514 1.00 1.32 C ATOM 1220 O LEU A 222 -5.598 1.654 -2.005 1.00 42.41 O ATOM 1221 CB LEU A 222 -2.648 0.570 -2.733 1.00 4.25 C ATOM 1222 CG LEU A 222 -1.381 0.655 -3.598 1.00 74.01 C ATOM 1223 CD1 LEU A 222 -0.132 0.472 -2.741 1.00 30.43 C ATOM 1224 CD2 LEU A 222 -1.424 -0.371 -4.726 1.00 0.04 C ATOM 0 H LEU A 222 -3.520 2.726 -3.819 1.00 15.54 H new ATOM 0 HA LEU A 222 -4.070 -0.130 -4.202 1.00 71.03 H new ATOM 0 HB2 LEU A 222 -2.606 1.355 -1.978 1.00 4.25 H new ATOM 0 HB3 LEU A 222 -2.644 -0.383 -2.203 1.00 4.25 H new ATOM 0 HG LEU A 222 -1.341 1.647 -4.049 1.00 74.01 H new ATOM 0 HD11 LEU A 222 0.755 0.535 -3.372 1.00 30.43 H new ATOM 0 HD12 LEU A 222 -0.094 1.253 -1.982 1.00 30.43 H new ATOM 0 HD13 LEU A 222 -0.163 -0.504 -2.256 1.00 30.43 H new ATOM 0 HD21 LEU A 222 -0.517 -0.292 -5.325 1.00 0.04 H new ATOM 0 HD22 LEU A 222 -1.494 -1.373 -4.304 1.00 0.04 H new ATOM 0 HD23 LEU A 222 -2.293 -0.182 -5.357 1.00 0.04 H new ATOM 1236 N HIS A 223 -5.633 -0.572 -2.264 1.00 62.03 N ATOM 1237 CA HIS A 223 -6.709 -0.788 -1.294 1.00 63.22 C ATOM 1238 C HIS A 223 -6.300 -1.871 -0.287 1.00 51.34 C ATOM 1239 O HIS A 223 -6.047 -3.013 -0.666 1.00 64.32 O ATOM 1240 CB HIS A 223 -8.006 -1.181 -2.013 1.00 22.40 C ATOM 1241 CG HIS A 223 -8.502 -0.134 -2.968 1.00 52.34 C ATOM 1242 ND1 HIS A 223 -9.543 0.720 -2.680 1.00 62.42 N ATOM 1243 CD2 HIS A 223 -8.086 0.199 -4.215 1.00 4.21 C ATOM 1244 CE1 HIS A 223 -9.747 1.528 -3.700 1.00 20.04 C ATOM 1245 NE2 HIS A 223 -8.878 1.233 -4.643 1.00 74.15 N ATOM 0 H HIS A 223 -5.304 -1.423 -2.720 1.00 62.03 H new ATOM 0 HA HIS A 223 -6.887 0.141 -0.753 1.00 63.22 H new ATOM 0 HB2 HIS A 223 -7.843 -2.111 -2.558 1.00 22.40 H new ATOM 0 HB3 HIS A 223 -8.778 -1.379 -1.270 1.00 22.40 H new ATOM 0 HD2 HIS A 223 -7.282 -0.264 -4.767 1.00 4.21 H new ATOM 0 HE1 HIS A 223 -10.499 2.301 -3.753 1.00 20.04 H new ATOM 0 HE2 HIS A 223 -8.805 1.699 -5.547 1.00 74.15 H new ATOM 1254 N VAL A 224 -6.211 -1.499 0.985 1.00 15.31 N ATOM 1255 CA VAL A 224 -5.746 -2.413 2.032 1.00 40.30 C ATOM 1256 C VAL A 224 -6.904 -2.946 2.896 1.00 34.42 C ATOM 1257 O VAL A 224 -7.879 -2.240 3.158 1.00 71.53 O ATOM 1258 CB VAL A 224 -4.703 -1.715 2.945 1.00 51.51 C ATOM 1259 CG1 VAL A 224 -4.119 -2.691 3.968 1.00 15.41 C ATOM 1260 CG2 VAL A 224 -3.596 -1.078 2.107 1.00 44.55 C ATOM 0 H VAL A 224 -6.455 -0.567 1.321 1.00 15.31 H new ATOM 0 HA VAL A 224 -5.283 -3.260 1.525 1.00 40.30 H new ATOM 0 HB VAL A 224 -5.214 -0.926 3.496 1.00 51.51 H new ATOM 0 HG11 VAL A 224 -3.392 -2.172 4.592 1.00 15.41 H new ATOM 0 HG12 VAL A 224 -4.920 -3.084 4.594 1.00 15.41 H new ATOM 0 HG13 VAL A 224 -3.629 -3.514 3.447 1.00 15.41 H new ATOM 0 HG21 VAL A 224 -2.875 -0.594 2.765 1.00 44.55 H new ATOM 0 HG22 VAL A 224 -3.094 -1.848 1.522 1.00 44.55 H new ATOM 0 HG23 VAL A 224 -4.029 -0.337 1.435 1.00 44.55 H new ATOM 1270 N GLU A 225 -6.789 -4.205 3.324 1.00 45.02 N ATOM 1271 CA GLU A 225 -7.771 -4.819 4.231 1.00 2.14 C ATOM 1272 C GLU A 225 -7.088 -5.508 5.423 1.00 72.20 C ATOM 1273 O GLU A 225 -5.861 -5.540 5.516 1.00 10.21 O ATOM 1274 CB GLU A 225 -8.652 -5.827 3.477 1.00 20.10 C ATOM 1275 CG GLU A 225 -9.525 -5.189 2.401 1.00 24.20 C ATOM 1276 CD GLU A 225 -10.735 -6.033 2.031 1.00 61.20 C ATOM 1277 OE1 GLU A 225 -11.436 -6.503 2.953 1.00 23.23 O ATOM 1278 OE2 GLU A 225 -11.027 -6.183 0.827 1.00 3.13 O ATOM 0 H GLU A 225 -6.024 -4.824 3.058 1.00 45.02 H new ATOM 0 HA GLU A 225 -8.400 -4.017 4.618 1.00 2.14 H new ATOM 0 HB2 GLU A 225 -8.014 -6.581 3.016 1.00 20.10 H new ATOM 0 HB3 GLU A 225 -9.291 -6.345 4.192 1.00 20.10 H new ATOM 0 HG2 GLU A 225 -9.864 -4.213 2.749 1.00 24.20 H new ATOM 0 HG3 GLU A 225 -8.923 -5.018 1.508 1.00 24.20 H new ATOM 1285 N VAL A 226 -7.893 -6.060 6.332 1.00 55.13 N ATOM 1286 CA VAL A 226 -7.380 -6.736 7.534 1.00 62.10 C ATOM 1287 C VAL A 226 -7.183 -8.250 7.301 1.00 73.51 C ATOM 1288 O VAL A 226 -7.998 -8.899 6.644 1.00 40.00 O ATOM 1289 CB VAL A 226 -8.343 -6.524 8.733 1.00 50.54 C ATOM 1290 CG1 VAL A 226 -7.801 -7.187 9.999 1.00 61.41 C ATOM 1291 CG2 VAL A 226 -8.597 -5.030 8.968 1.00 51.42 C ATOM 0 H VAL A 226 -8.911 -6.054 6.261 1.00 55.13 H new ATOM 0 HA VAL A 226 -6.410 -6.293 7.759 1.00 62.10 H new ATOM 0 HB VAL A 226 -9.293 -6.998 8.487 1.00 50.54 H new ATOM 0 HG11 VAL A 226 -8.496 -7.022 10.822 1.00 61.41 H new ATOM 0 HG12 VAL A 226 -7.687 -8.258 9.829 1.00 61.41 H new ATOM 0 HG13 VAL A 226 -6.832 -6.755 10.250 1.00 61.41 H new ATOM 0 HG21 VAL A 226 -9.274 -4.905 9.813 1.00 51.42 H new ATOM 0 HG22 VAL A 226 -7.653 -4.530 9.183 1.00 51.42 H new ATOM 0 HG23 VAL A 226 -9.045 -4.592 8.076 1.00 51.42 H new ATOM 1301 N LEU A 227 -6.097 -8.808 7.842 1.00 52.11 N ATOM 1302 CA LEU A 227 -5.816 -10.248 7.711 1.00 55.33 C ATOM 1303 C LEU A 227 -6.052 -11.008 9.030 1.00 43.10 C ATOM 1304 O LEU A 227 -7.137 -11.548 9.258 1.00 45.01 O ATOM 1305 CB LEU A 227 -4.377 -10.473 7.217 1.00 21.11 C ATOM 1306 CG LEU A 227 -4.114 -10.069 5.761 1.00 31.42 C ATOM 1307 CD1 LEU A 227 -2.640 -10.250 5.407 1.00 71.12 C ATOM 1308 CD2 LEU A 227 -5.004 -10.870 4.812 1.00 53.13 C ATOM 0 H LEU A 227 -5.397 -8.290 8.374 1.00 52.11 H new ATOM 0 HA LEU A 227 -6.514 -10.647 6.975 1.00 55.33 H new ATOM 0 HB2 LEU A 227 -3.698 -9.914 7.860 1.00 21.11 H new ATOM 0 HB3 LEU A 227 -4.131 -11.528 7.334 1.00 21.11 H new ATOM 0 HG LEU A 227 -4.360 -9.013 5.649 1.00 31.42 H new ATOM 0 HD11 LEU A 227 -2.476 -9.958 4.370 1.00 71.12 H new ATOM 0 HD12 LEU A 227 -2.030 -9.627 6.060 1.00 71.12 H new ATOM 0 HD13 LEU A 227 -2.360 -11.295 5.538 1.00 71.12 H new ATOM 0 HD21 LEU A 227 -4.803 -10.569 3.784 1.00 53.13 H new ATOM 0 HD22 LEU A 227 -4.794 -11.933 4.927 1.00 53.13 H new ATOM 0 HD23 LEU A 227 -6.051 -10.680 5.048 1.00 53.13 H new