USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 CYS SG : rot 70:sc= 1.04 USER MOD Set 1.2: A 124 HIS : no HD1:sc= -0.101 X(o=0.94,f=1.1) USER MOD Set 2.1: A 107 THR OG1 : rot -150:sc= -0.795 USER MOD Set 2.2: A 109 THR OG1 : rot -172:sc= -1.63! USER MOD Set 2.3: A 176 HIS : no HD1:sc= -0.0247 X(o=-2.4,f=-2.4) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -105:sc= -2.24 (180deg=-7.92!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= -0.0736 (180deg=-0.489) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -178:sc= -0.0718 (180deg=-0.0737) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -109:sc= 1.26 (180deg=0.0135) USER MOD Single : A 111 MET CE :methyl -148:sc= -4.06! (180deg=-5.17!) USER MOD Single : A 113 MET CE :methyl 138:sc= -0.454 (180deg=-1.78) USER MOD Single : A 114 THR OG1 : rot 79:sc= 0.834 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.783 K(o=0.78,f=-8.1!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= -0.146 USER MOD Single : A 172 ASN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 179 THR OG1 : rot -160:sc= -3.15! USER MOD Single : A 183 GLN : amide:sc= -0.809 K(o=-0.81,f=-1.4) USER MOD Single : A 188 HIS : no HD1:sc= 0.0435 K(o=0.044,f=-2.9!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ -169:sc=-0.00676 (180deg=-0.122) USER MOD ----------------------------------------------------------------- ATOM 141 N MET A 85 19.921 -4.095 2.070 1.00 1.73 N ATOM 142 CA MET A 85 18.551 -4.579 2.022 1.00 1.50 C ATOM 143 C MET A 85 17.823 -4.365 3.342 1.00 1.22 C ATOM 144 O MET A 85 18.198 -4.923 4.374 1.00 1.24 O ATOM 145 CB MET A 85 18.520 -6.064 1.630 1.00 1.69 C ATOM 146 CG MET A 85 19.284 -6.979 2.578 1.00 2.17 C ATOM 147 SD MET A 85 19.204 -8.713 2.091 1.00 2.25 S ATOM 148 CE MET A 85 20.061 -9.485 3.464 1.00 2.83 C ATOM 0 HA MET A 85 18.028 -3.998 1.262 1.00 1.50 H new ATOM 0 HB2 MET A 85 17.482 -6.394 1.583 1.00 1.69 H new ATOM 0 HB3 MET A 85 18.934 -6.172 0.627 1.00 1.69 H new ATOM 0 HG2 MET A 85 20.327 -6.665 2.617 1.00 2.17 H new ATOM 0 HG3 MET A 85 18.881 -6.870 3.585 1.00 2.17 H new ATOM 0 HE1 MET A 85 20.096 -10.564 3.311 1.00 2.83 H new ATOM 0 HE2 MET A 85 21.077 -9.094 3.525 1.00 2.83 H new ATOM 0 HE3 MET A 85 19.532 -9.267 4.392 1.00 2.83 H new ATOM 158 N ARG A 86 16.800 -3.526 3.310 1.00 1.11 N ATOM 159 CA ARG A 86 15.874 -3.429 4.424 1.00 1.09 C ATOM 160 C ARG A 86 14.573 -4.127 4.047 1.00 0.90 C ATOM 161 O ARG A 86 14.003 -3.858 2.989 1.00 0.83 O ATOM 162 CB ARG A 86 15.611 -1.972 4.840 1.00 1.42 C ATOM 163 CG ARG A 86 14.916 -1.129 3.785 1.00 1.04 C ATOM 164 CD ARG A 86 14.468 0.213 4.342 1.00 1.23 C ATOM 165 NE ARG A 86 15.600 1.043 4.745 1.00 1.82 N ATOM 166 CZ ARG A 86 15.492 2.165 5.461 1.00 2.48 C ATOM 167 NH1 ARG A 86 14.297 2.605 5.844 1.00 2.60 N ATOM 168 NH2 ARG A 86 16.582 2.852 5.788 1.00 3.32 N ATOM 0 H ARG A 86 16.591 -2.905 2.528 1.00 1.11 H new ATOM 0 HA ARG A 86 16.323 -3.919 5.288 1.00 1.09 H new ATOM 0 HB2 ARG A 86 15.004 -1.970 5.745 1.00 1.42 H new ATOM 0 HB3 ARG A 86 16.562 -1.503 5.093 1.00 1.42 H new ATOM 0 HG2 ARG A 86 15.592 -0.967 2.945 1.00 1.04 H new ATOM 0 HG3 ARG A 86 14.052 -1.669 3.399 1.00 1.04 H new ATOM 0 HD2 ARG A 86 13.881 0.740 3.590 1.00 1.23 H new ATOM 0 HD3 ARG A 86 13.815 0.050 5.199 1.00 1.23 H new ATOM 0 HE ARG A 86 16.534 0.746 4.461 1.00 1.82 H new ATOM 0 HH11 ARG A 86 13.457 2.085 5.591 1.00 2.60 H new ATOM 0 HH12 ARG A 86 14.221 3.463 6.391 1.00 2.60 H new ATOM 0 HH21 ARG A 86 17.501 2.522 5.492 1.00 3.32 H new ATOM 0 HH22 ARG A 86 16.500 3.709 6.335 1.00 3.32 H new ATOM 182 N PRO A 87 14.114 -5.067 4.875 1.00 0.91 N ATOM 183 CA PRO A 87 12.893 -5.824 4.597 1.00 0.80 C ATOM 184 C PRO A 87 11.637 -4.967 4.727 1.00 0.73 C ATOM 185 O PRO A 87 11.337 -4.437 5.800 1.00 0.88 O ATOM 186 CB PRO A 87 12.908 -6.927 5.655 1.00 0.99 C ATOM 187 CG PRO A 87 13.719 -6.370 6.774 1.00 1.24 C ATOM 188 CD PRO A 87 14.745 -5.473 6.142 1.00 1.12 C ATOM 0 HA PRO A 87 12.871 -6.202 3.575 1.00 0.80 H new ATOM 0 HB2 PRO A 87 11.898 -7.174 5.983 1.00 0.99 H new ATOM 0 HB3 PRO A 87 13.350 -7.844 5.264 1.00 0.99 H new ATOM 0 HG2 PRO A 87 13.091 -5.814 7.470 1.00 1.24 H new ATOM 0 HG3 PRO A 87 14.197 -7.168 7.343 1.00 1.24 H new ATOM 0 HD2 PRO A 87 14.969 -4.613 6.773 1.00 1.12 H new ATOM 0 HD3 PRO A 87 15.686 -5.997 5.972 1.00 1.12 H new ATOM 196 N LEU A 88 10.917 -4.827 3.626 1.00 0.56 N ATOM 197 CA LEU A 88 9.676 -4.074 3.618 1.00 0.53 C ATOM 198 C LEU A 88 8.539 -4.982 3.167 1.00 0.42 C ATOM 199 O LEU A 88 8.705 -5.804 2.260 1.00 0.40 O ATOM 200 CB LEU A 88 9.811 -2.847 2.703 1.00 0.58 C ATOM 201 CG LEU A 88 8.781 -1.728 2.909 1.00 1.02 C ATOM 202 CD1 LEU A 88 9.322 -0.412 2.373 1.00 1.45 C ATOM 203 CD2 LEU A 88 7.469 -2.057 2.217 1.00 1.60 C ATOM 0 H LEU A 88 11.173 -5.227 2.723 1.00 0.56 H new ATOM 0 HA LEU A 88 9.453 -3.715 4.623 1.00 0.53 H new ATOM 0 HB2 LEU A 88 10.807 -2.425 2.841 1.00 0.58 H new ATOM 0 HB3 LEU A 88 9.748 -3.183 1.668 1.00 0.58 H new ATOM 0 HG LEU A 88 8.595 -1.637 3.979 1.00 1.02 H new ATOM 0 HD11 LEU A 88 8.582 0.374 2.525 1.00 1.45 H new ATOM 0 HD12 LEU A 88 10.240 -0.154 2.901 1.00 1.45 H new ATOM 0 HD13 LEU A 88 9.532 -0.512 1.308 1.00 1.45 H new ATOM 0 HD21 LEU A 88 6.758 -1.247 2.380 1.00 1.60 H new ATOM 0 HD22 LEU A 88 7.642 -2.178 1.148 1.00 1.60 H new ATOM 0 HD23 LEU A 88 7.064 -2.983 2.626 1.00 1.60 H new ATOM 215 N LYS A 89 7.396 -4.849 3.818 1.00 0.41 N ATOM 216 CA LYS A 89 6.250 -5.692 3.529 1.00 0.36 C ATOM 217 C LYS A 89 5.376 -5.054 2.459 1.00 0.30 C ATOM 218 O LYS A 89 4.708 -4.056 2.709 1.00 0.33 O ATOM 219 CB LYS A 89 5.433 -5.912 4.802 1.00 0.46 C ATOM 220 CG LYS A 89 6.258 -6.414 5.975 1.00 0.63 C ATOM 221 CD LYS A 89 5.437 -6.476 7.250 1.00 1.12 C ATOM 222 CE LYS A 89 6.300 -6.845 8.443 1.00 1.44 C ATOM 223 NZ LYS A 89 5.529 -6.838 9.711 1.00 2.13 N ATOM 0 H LYS A 89 7.237 -4.161 4.554 1.00 0.41 H new ATOM 0 HA LYS A 89 6.609 -6.653 3.160 1.00 0.36 H new ATOM 0 HB2 LYS A 89 4.952 -4.975 5.082 1.00 0.46 H new ATOM 0 HB3 LYS A 89 4.638 -6.629 4.594 1.00 0.46 H new ATOM 0 HG2 LYS A 89 6.651 -7.405 5.746 1.00 0.63 H new ATOM 0 HG3 LYS A 89 7.115 -5.758 6.125 1.00 0.63 H new ATOM 0 HD2 LYS A 89 4.962 -5.511 7.427 1.00 1.12 H new ATOM 0 HD3 LYS A 89 4.638 -7.209 7.136 1.00 1.12 H new ATOM 0 HE2 LYS A 89 6.731 -7.834 8.286 1.00 1.44 H new ATOM 0 HE3 LYS A 89 7.131 -6.144 8.520 1.00 1.44 H new ATOM 0 HZ1 LYS A 89 6.156 -7.095 10.500 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 5.139 -5.888 9.875 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 4.751 -7.526 9.648 1.00 2.13 H new ATOM 237 N ILE A 90 5.390 -5.619 1.264 1.00 0.27 N ATOM 238 CA ILE A 90 4.535 -5.134 0.195 1.00 0.26 C ATOM 239 C ILE A 90 3.298 -6.010 0.091 1.00 0.26 C ATOM 240 O ILE A 90 3.354 -7.207 0.370 1.00 0.37 O ATOM 241 CB ILE A 90 5.277 -5.064 -1.168 1.00 0.33 C ATOM 242 CG1 ILE A 90 5.962 -6.390 -1.519 1.00 0.41 C ATOM 243 CG2 ILE A 90 6.298 -3.936 -1.156 1.00 0.43 C ATOM 244 CD1 ILE A 90 5.077 -7.378 -2.249 1.00 0.50 C ATOM 0 H ILE A 90 5.981 -6.411 1.010 1.00 0.27 H new ATOM 0 HA ILE A 90 4.238 -4.115 0.442 1.00 0.26 H new ATOM 0 HB ILE A 90 4.528 -4.867 -1.935 1.00 0.33 H new ATOM 0 HG12 ILE A 90 6.837 -6.181 -2.135 1.00 0.41 H new ATOM 0 HG13 ILE A 90 6.322 -6.853 -0.600 1.00 0.41 H new ATOM 0 HG21 ILE A 90 6.810 -3.899 -2.117 1.00 0.43 H new ATOM 0 HG22 ILE A 90 5.791 -2.988 -0.978 1.00 0.43 H new ATOM 0 HG23 ILE A 90 7.026 -4.112 -0.364 1.00 0.43 H new ATOM 0 HD11 ILE A 90 5.641 -8.287 -2.458 1.00 0.50 H new ATOM 0 HD12 ILE A 90 4.214 -7.621 -1.629 1.00 0.50 H new ATOM 0 HD13 ILE A 90 4.737 -6.938 -3.187 1.00 0.50 H new ATOM 256 N ARG A 91 2.178 -5.422 -0.278 1.00 0.23 N ATOM 257 CA ARG A 91 0.936 -6.168 -0.353 1.00 0.29 C ATOM 258 C ARG A 91 0.398 -6.167 -1.779 1.00 0.37 C ATOM 259 O ARG A 91 0.276 -5.119 -2.411 1.00 0.39 O ATOM 260 CB ARG A 91 -0.085 -5.589 0.627 1.00 0.35 C ATOM 261 CG ARG A 91 -1.233 -6.532 0.954 1.00 0.51 C ATOM 262 CD ARG A 91 -2.082 -5.988 2.092 1.00 0.67 C ATOM 263 NE ARG A 91 -3.124 -6.926 2.511 1.00 1.05 N ATOM 264 CZ ARG A 91 -4.045 -6.642 3.432 1.00 1.32 C ATOM 265 NH1 ARG A 91 -4.061 -5.456 4.022 1.00 1.20 N ATOM 266 NH2 ARG A 91 -4.955 -7.545 3.770 1.00 2.24 N ATOM 0 H ARG A 91 2.101 -4.436 -0.529 1.00 0.23 H new ATOM 0 HA ARG A 91 1.127 -7.204 -0.071 1.00 0.29 H new ATOM 0 HB2 ARG A 91 0.426 -5.321 1.552 1.00 0.35 H new ATOM 0 HB3 ARG A 91 -0.492 -4.668 0.209 1.00 0.35 H new ATOM 0 HG2 ARG A 91 -1.854 -6.675 0.069 1.00 0.51 H new ATOM 0 HG3 ARG A 91 -0.837 -7.510 1.227 1.00 0.51 H new ATOM 0 HD2 ARG A 91 -1.440 -5.759 2.943 1.00 0.67 H new ATOM 0 HD3 ARG A 91 -2.544 -5.051 1.781 1.00 0.67 H new ATOM 0 HE ARG A 91 -3.147 -7.848 2.074 1.00 1.05 H new ATOM 0 HH11 ARG A 91 -3.366 -4.753 3.772 1.00 1.20 H new ATOM 0 HH12 ARG A 91 -4.769 -5.246 4.726 1.00 1.20 H new ATOM 0 HH21 ARG A 91 -4.953 -8.463 3.325 1.00 2.24 H new ATOM 0 HH22 ARG A 91 -5.657 -7.322 4.475 1.00 2.24 H new ATOM 280 N MET A 92 0.099 -7.361 -2.272 1.00 0.54 N ATOM 281 CA MET A 92 -0.338 -7.563 -3.648 1.00 0.67 C ATOM 282 C MET A 92 -1.842 -7.367 -3.788 1.00 0.64 C ATOM 283 O MET A 92 -2.563 -7.337 -2.788 1.00 0.92 O ATOM 284 CB MET A 92 0.038 -8.972 -4.108 1.00 0.88 C ATOM 285 CG MET A 92 1.541 -9.244 -4.210 1.00 1.00 C ATOM 286 SD MET A 92 2.364 -8.305 -5.522 1.00 1.34 S ATOM 287 CE MET A 92 2.660 -6.718 -4.738 1.00 1.05 C ATOM 0 H MET A 92 0.153 -8.221 -1.727 1.00 0.54 H new ATOM 0 HA MET A 92 0.162 -6.822 -4.272 1.00 0.67 H new ATOM 0 HB2 MET A 92 -0.399 -9.692 -3.416 1.00 0.88 H new ATOM 0 HB3 MET A 92 -0.415 -9.152 -5.083 1.00 0.88 H new ATOM 0 HG2 MET A 92 2.010 -9.005 -3.256 1.00 1.00 H new ATOM 0 HG3 MET A 92 1.698 -10.309 -4.384 1.00 1.00 H new ATOM 0 HE1 MET A 92 1.952 -5.984 -5.124 1.00 1.05 H new ATOM 0 HE2 MET A 92 2.531 -6.815 -3.660 1.00 1.05 H new ATOM 0 HE3 MET A 92 3.677 -6.390 -4.953 1.00 1.05 H new ATOM 297 N LEU A 93 -2.301 -7.285 -5.040 1.00 0.74 N ATOM 298 CA LEU A 93 -3.709 -7.037 -5.362 1.00 0.79 C ATOM 299 C LEU A 93 -4.607 -8.113 -4.762 1.00 1.05 C ATOM 300 O LEU A 93 -5.736 -7.840 -4.353 1.00 1.17 O ATOM 301 CB LEU A 93 -3.924 -6.987 -6.884 1.00 0.75 C ATOM 302 CG LEU A 93 -3.406 -5.735 -7.609 1.00 0.89 C ATOM 303 CD1 LEU A 93 -3.980 -4.478 -6.980 1.00 1.49 C ATOM 304 CD2 LEU A 93 -1.884 -5.686 -7.620 1.00 1.23 C ATOM 0 H LEU A 93 -1.705 -7.389 -5.861 1.00 0.74 H new ATOM 0 HA LEU A 93 -3.975 -6.072 -4.931 1.00 0.79 H new ATOM 0 HB2 LEU A 93 -3.443 -7.860 -7.325 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -4.992 -7.078 -7.081 1.00 0.75 H new ATOM 0 HG LEU A 93 -3.741 -5.788 -8.645 1.00 0.89 H new ATOM 0 HD11 LEU A 93 -3.602 -3.602 -7.507 1.00 1.49 H new ATOM 0 HD12 LEU A 93 -5.068 -4.501 -7.048 1.00 1.49 H new ATOM 0 HD13 LEU A 93 -3.683 -4.427 -5.932 1.00 1.49 H new ATOM 0 HD21 LEU A 93 -1.553 -4.788 -8.141 1.00 1.23 H new ATOM 0 HD22 LEU A 93 -1.513 -5.669 -6.595 1.00 1.23 H new ATOM 0 HD23 LEU A 93 -1.495 -6.566 -8.132 1.00 1.23 H new ATOM 316 N ASP A 94 -4.091 -9.337 -4.723 1.00 1.47 N ATOM 317 CA ASP A 94 -4.776 -10.461 -4.086 1.00 1.97 C ATOM 318 C ASP A 94 -5.123 -10.134 -2.634 1.00 1.17 C ATOM 319 O ASP A 94 -6.099 -10.641 -2.082 1.00 1.38 O ATOM 320 CB ASP A 94 -3.878 -11.703 -4.140 1.00 2.91 C ATOM 321 CG ASP A 94 -4.456 -12.896 -3.401 1.00 3.61 C ATOM 322 OD1 ASP A 94 -4.251 -12.997 -2.171 1.00 4.21 O ATOM 323 OD2 ASP A 94 -5.136 -13.725 -4.035 1.00 3.80 O ATOM 0 H ASP A 94 -3.188 -9.580 -5.131 1.00 1.47 H new ATOM 0 HA ASP A 94 -5.704 -10.655 -4.624 1.00 1.97 H new ATOM 0 HB2 ASP A 94 -3.711 -11.976 -5.182 1.00 2.91 H new ATOM 0 HB3 ASP A 94 -2.905 -11.458 -3.714 1.00 2.91 H new ATOM 328 N GLY A 95 -4.336 -9.249 -2.039 1.00 0.66 N ATOM 329 CA GLY A 95 -4.480 -8.941 -0.636 1.00 1.19 C ATOM 330 C GLY A 95 -3.410 -9.623 0.180 1.00 1.02 C ATOM 331 O GLY A 95 -3.468 -9.646 1.411 1.00 1.18 O ATOM 0 H GLY A 95 -3.593 -8.735 -2.512 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -4.422 -7.862 -0.489 1.00 1.19 H new ATOM 0 HA3 GLY A 95 -5.464 -9.258 -0.290 1.00 1.19 H new ATOM 335 N THR A 96 -2.418 -10.163 -0.514 1.00 0.83 N ATOM 336 CA THR A 96 -1.374 -10.950 0.123 1.00 0.83 C ATOM 337 C THR A 96 -0.131 -10.101 0.376 1.00 0.62 C ATOM 338 O THR A 96 0.219 -9.244 -0.433 1.00 0.62 O ATOM 339 CB THR A 96 -1.003 -12.176 -0.745 1.00 1.12 C ATOM 340 OG1 THR A 96 0.037 -12.947 -0.129 1.00 1.55 O ATOM 341 CG2 THR A 96 -0.553 -11.745 -2.131 1.00 1.67 C ATOM 0 H THR A 96 -2.315 -10.069 -1.524 1.00 0.83 H new ATOM 0 HA THR A 96 -1.760 -11.300 1.080 1.00 0.83 H new ATOM 0 HB THR A 96 -1.898 -12.792 -0.835 1.00 1.12 H new ATOM 0 HG1 THR A 96 0.253 -13.717 -0.696 1.00 1.55 H new ATOM 0 HG21 THR A 96 -0.298 -12.625 -2.721 1.00 1.67 H new ATOM 0 HG22 THR A 96 -1.359 -11.200 -2.622 1.00 1.67 H new ATOM 0 HG23 THR A 96 0.321 -11.100 -2.045 1.00 1.67 H new ATOM 349 N VAL A 97 0.523 -10.335 1.500 1.00 0.56 N ATOM 350 CA VAL A 97 1.733 -9.604 1.841 1.00 0.46 C ATOM 351 C VAL A 97 2.958 -10.428 1.476 1.00 0.46 C ATOM 352 O VAL A 97 2.956 -11.652 1.616 1.00 0.57 O ATOM 353 CB VAL A 97 1.785 -9.240 3.341 1.00 0.54 C ATOM 354 CG1 VAL A 97 3.110 -8.581 3.703 1.00 0.69 C ATOM 355 CG2 VAL A 97 0.626 -8.331 3.707 1.00 0.96 C ATOM 0 H VAL A 97 0.237 -11.026 2.194 1.00 0.56 H new ATOM 0 HA VAL A 97 1.725 -8.675 1.271 1.00 0.46 H new ATOM 0 HB VAL A 97 1.701 -10.164 3.913 1.00 0.54 H new ATOM 0 HG11 VAL A 97 3.116 -8.336 4.765 1.00 0.69 H new ATOM 0 HG12 VAL A 97 3.929 -9.266 3.483 1.00 0.69 H new ATOM 0 HG13 VAL A 97 3.234 -7.668 3.120 1.00 0.69 H new ATOM 0 HG21 VAL A 97 0.678 -8.084 4.767 1.00 0.96 H new ATOM 0 HG22 VAL A 97 0.682 -7.415 3.118 1.00 0.96 H new ATOM 0 HG23 VAL A 97 -0.315 -8.840 3.498 1.00 0.96 H new ATOM 365 N LYS A 98 3.983 -9.755 0.983 1.00 0.43 N ATOM 366 CA LYS A 98 5.226 -10.404 0.636 1.00 0.49 C ATOM 367 C LYS A 98 6.396 -9.523 1.056 1.00 0.45 C ATOM 368 O LYS A 98 6.327 -8.297 0.962 1.00 0.40 O ATOM 369 CB LYS A 98 5.268 -10.685 -0.866 1.00 0.56 C ATOM 370 CG LYS A 98 6.286 -11.737 -1.258 1.00 0.68 C ATOM 371 CD LYS A 98 6.101 -12.186 -2.693 1.00 1.20 C ATOM 372 CE LYS A 98 4.844 -13.027 -2.832 1.00 1.69 C ATOM 373 NZ LYS A 98 4.935 -14.301 -2.068 1.00 1.78 N ATOM 0 H LYS A 98 3.973 -8.749 0.814 1.00 0.43 H new ATOM 0 HA LYS A 98 5.299 -11.356 1.162 1.00 0.49 H new ATOM 0 HB2 LYS A 98 4.280 -11.007 -1.195 1.00 0.56 H new ATOM 0 HB3 LYS A 98 5.493 -9.759 -1.394 1.00 0.56 H new ATOM 0 HG2 LYS A 98 7.292 -11.337 -1.128 1.00 0.68 H new ATOM 0 HG3 LYS A 98 6.197 -12.596 -0.593 1.00 0.68 H new ATOM 0 HD2 LYS A 98 6.037 -11.316 -3.347 1.00 1.20 H new ATOM 0 HD3 LYS A 98 6.968 -12.763 -3.014 1.00 1.20 H new ATOM 0 HE2 LYS A 98 3.985 -12.455 -2.481 1.00 1.69 H new ATOM 0 HE3 LYS A 98 4.671 -13.248 -3.885 1.00 1.69 H new ATOM 0 HZ1 LYS A 98 4.253 -14.986 -2.453 1.00 1.78 H new ATOM 0 HZ2 LYS A 98 5.897 -14.687 -2.150 1.00 1.78 H new ATOM 0 HZ3 LYS A 98 4.718 -14.122 -1.067 1.00 1.78 H new ATOM 387 N THR A 99 7.453 -10.144 1.536 1.00 0.52 N ATOM 388 CA THR A 99 8.617 -9.418 2.012 1.00 0.55 C ATOM 389 C THR A 99 9.604 -9.163 0.874 1.00 0.54 C ATOM 390 O THR A 99 10.119 -10.100 0.256 1.00 0.65 O ATOM 391 CB THR A 99 9.320 -10.201 3.134 1.00 0.69 C ATOM 392 OG1 THR A 99 8.356 -10.599 4.120 1.00 0.78 O ATOM 393 CG2 THR A 99 10.407 -9.361 3.792 1.00 0.76 C ATOM 0 H THR A 99 7.532 -11.158 1.608 1.00 0.52 H new ATOM 0 HA THR A 99 8.274 -8.460 2.403 1.00 0.55 H new ATOM 0 HB THR A 99 9.787 -11.083 2.695 1.00 0.69 H new ATOM 0 HG1 THR A 99 8.805 -11.099 4.833 1.00 0.78 H new ATOM 0 HG21 THR A 99 10.887 -9.940 4.581 1.00 0.76 H new ATOM 0 HG22 THR A 99 11.150 -9.079 3.046 1.00 0.76 H new ATOM 0 HG23 THR A 99 9.963 -8.462 4.220 1.00 0.76 H new ATOM 401 N ILE A 100 9.854 -7.893 0.593 1.00 0.47 N ATOM 402 CA ILE A 100 10.787 -7.512 -0.455 1.00 0.51 C ATOM 403 C ILE A 100 11.947 -6.720 0.132 1.00 0.53 C ATOM 404 O ILE A 100 11.755 -5.888 1.024 1.00 0.55 O ATOM 405 CB ILE A 100 10.085 -6.688 -1.561 1.00 0.55 C ATOM 406 CG1 ILE A 100 9.055 -7.558 -2.292 1.00 0.62 C ATOM 407 CG2 ILE A 100 11.094 -6.107 -2.546 1.00 0.63 C ATOM 408 CD1 ILE A 100 9.658 -8.734 -3.033 1.00 1.06 C ATOM 0 H ILE A 100 9.422 -7.107 1.078 1.00 0.47 H new ATOM 0 HA ILE A 100 11.172 -8.426 -0.908 1.00 0.51 H new ATOM 0 HB ILE A 100 9.569 -5.853 -1.087 1.00 0.55 H new ATOM 0 HG12 ILE A 100 8.330 -7.931 -1.568 1.00 0.62 H new ATOM 0 HG13 ILE A 100 8.507 -6.937 -3.001 1.00 0.62 H new ATOM 0 HG21 ILE A 100 10.568 -5.534 -3.310 1.00 0.63 H new ATOM 0 HG22 ILE A 100 11.786 -5.454 -2.015 1.00 0.63 H new ATOM 0 HG23 ILE A 100 11.649 -6.917 -3.018 1.00 0.63 H new ATOM 0 HD11 ILE A 100 8.866 -9.300 -3.524 1.00 1.06 H new ATOM 0 HD12 ILE A 100 10.361 -8.370 -3.782 1.00 1.06 H new ATOM 0 HD13 ILE A 100 10.181 -9.379 -2.327 1.00 1.06 H new ATOM 420 N MET A 101 13.151 -7.007 -0.345 1.00 0.61 N ATOM 421 CA MET A 101 14.331 -6.279 0.085 1.00 0.68 C ATOM 422 C MET A 101 14.336 -4.899 -0.543 1.00 0.76 C ATOM 423 O MET A 101 14.063 -4.739 -1.734 1.00 0.88 O ATOM 424 CB MET A 101 15.624 -7.016 -0.292 1.00 0.79 C ATOM 425 CG MET A 101 15.881 -7.100 -1.793 1.00 1.18 C ATOM 426 SD MET A 101 17.546 -6.558 -2.257 1.00 1.64 S ATOM 427 CE MET A 101 17.479 -4.803 -1.878 1.00 1.04 C ATOM 0 H MET A 101 13.333 -7.740 -1.030 1.00 0.61 H new ATOM 0 HA MET A 101 14.294 -6.198 1.171 1.00 0.68 H new ATOM 0 HB2 MET A 101 16.467 -6.513 0.182 1.00 0.79 H new ATOM 0 HB3 MET A 101 15.585 -8.026 0.116 1.00 0.79 H new ATOM 0 HG2 MET A 101 15.734 -8.128 -2.124 1.00 1.18 H new ATOM 0 HG3 MET A 101 15.146 -6.488 -2.317 1.00 1.18 H new ATOM 0 HE1 MET A 101 18.426 -4.336 -2.148 1.00 1.04 H new ATOM 0 HE2 MET A 101 16.671 -4.339 -2.444 1.00 1.04 H new ATOM 0 HE3 MET A 101 17.299 -4.668 -0.811 1.00 1.04 H new ATOM 437 N VAL A 102 14.629 -3.903 0.259 1.00 0.79 N ATOM 438 CA VAL A 102 14.737 -2.553 -0.240 1.00 0.95 C ATOM 439 C VAL A 102 16.120 -2.007 0.018 1.00 1.08 C ATOM 440 O VAL A 102 16.661 -2.143 1.108 1.00 1.09 O ATOM 441 CB VAL A 102 13.753 -1.610 0.446 1.00 1.00 C ATOM 442 CG1 VAL A 102 13.721 -0.262 -0.238 1.00 1.51 C ATOM 443 CG2 VAL A 102 12.368 -2.222 0.534 1.00 1.14 C ATOM 0 H VAL A 102 14.797 -4.002 1.260 1.00 0.79 H new ATOM 0 HA VAL A 102 14.520 -2.602 -1.307 1.00 0.95 H new ATOM 0 HB VAL A 102 14.103 -1.453 1.466 1.00 1.00 H new ATOM 0 HG11 VAL A 102 13.011 0.388 0.273 1.00 1.51 H new ATOM 0 HG12 VAL A 102 14.714 0.187 -0.204 1.00 1.51 H new ATOM 0 HG13 VAL A 102 13.415 -0.388 -1.277 1.00 1.51 H new ATOM 0 HG21 VAL A 102 11.692 -1.524 1.028 1.00 1.14 H new ATOM 0 HG22 VAL A 102 12.000 -2.435 -0.470 1.00 1.14 H new ATOM 0 HG23 VAL A 102 12.415 -3.148 1.107 1.00 1.14 H new ATOM 453 N ASP A 103 16.684 -1.390 -0.978 1.00 1.23 N ATOM 454 CA ASP A 103 17.904 -0.642 -0.791 1.00 1.37 C ATOM 455 C ASP A 103 17.543 0.799 -0.548 1.00 1.31 C ATOM 456 O ASP A 103 17.705 1.322 0.553 1.00 2.05 O ATOM 457 CB ASP A 103 18.809 -0.780 -2.012 1.00 1.53 C ATOM 458 CG ASP A 103 20.040 0.106 -1.930 1.00 1.82 C ATOM 459 OD1 ASP A 103 19.969 1.276 -2.362 1.00 2.12 O ATOM 460 OD2 ASP A 103 21.087 -0.367 -1.439 1.00 1.99 O ATOM 0 H ASP A 103 16.322 -1.387 -1.932 1.00 1.23 H new ATOM 0 HA ASP A 103 18.453 -1.031 0.066 1.00 1.37 H new ATOM 0 HB2 ASP A 103 19.120 -1.820 -2.113 1.00 1.53 H new ATOM 0 HB3 ASP A 103 18.244 -0.528 -2.909 1.00 1.53 H new ATOM 465 N ASP A 104 16.988 1.367 -1.597 1.00 0.88 N ATOM 466 CA ASP A 104 16.502 2.759 -1.659 1.00 1.00 C ATOM 467 C ASP A 104 16.666 3.287 -3.076 1.00 1.19 C ATOM 468 O ASP A 104 15.690 3.476 -3.804 1.00 1.92 O ATOM 469 CB ASP A 104 17.254 3.699 -0.706 1.00 1.84 C ATOM 470 CG ASP A 104 16.669 5.096 -0.696 1.00 2.59 C ATOM 471 OD1 ASP A 104 15.487 5.253 -0.324 1.00 2.95 O ATOM 472 OD2 ASP A 104 17.384 6.043 -1.089 1.00 3.23 O ATOM 0 H ASP A 104 16.850 0.864 -2.474 1.00 0.88 H new ATOM 0 HA ASP A 104 15.455 2.741 -1.355 1.00 1.00 H new ATOM 0 HB2 ASP A 104 17.225 3.288 0.303 1.00 1.84 H new ATOM 0 HB3 ASP A 104 18.302 3.749 -1.000 1.00 1.84 H new ATOM 477 N SER A 105 17.929 3.491 -3.445 1.00 1.46 N ATOM 478 CA SER A 105 18.323 4.025 -4.738 1.00 2.15 C ATOM 479 C SER A 105 17.855 5.468 -4.894 1.00 1.93 C ATOM 480 O SER A 105 18.611 6.405 -4.625 1.00 2.30 O ATOM 481 CB SER A 105 17.802 3.137 -5.875 1.00 2.94 C ATOM 482 OG SER A 105 18.306 1.817 -5.753 1.00 3.13 O ATOM 0 H SER A 105 18.721 3.284 -2.837 1.00 1.46 H new ATOM 0 HA SER A 105 19.412 4.025 -4.793 1.00 2.15 H new ATOM 0 HB2 SER A 105 16.712 3.118 -5.858 1.00 2.94 H new ATOM 0 HB3 SER A 105 18.099 3.557 -6.836 1.00 2.94 H new ATOM 0 HG SER A 105 17.961 1.266 -6.486 1.00 3.13 H new ATOM 488 N LYS A 106 16.596 5.631 -5.253 1.00 1.65 N ATOM 489 CA LYS A 106 16.019 6.947 -5.534 1.00 1.78 C ATOM 490 C LYS A 106 14.501 6.888 -5.466 1.00 1.42 C ATOM 491 O LYS A 106 13.896 5.935 -5.960 1.00 2.04 O ATOM 492 CB LYS A 106 16.405 7.472 -6.930 1.00 2.36 C ATOM 493 CG LYS A 106 17.876 7.811 -7.122 1.00 2.91 C ATOM 494 CD LYS A 106 18.098 8.616 -8.397 1.00 3.40 C ATOM 495 CE LYS A 106 17.489 7.932 -9.615 1.00 4.35 C ATOM 496 NZ LYS A 106 18.166 6.649 -9.942 1.00 4.92 N ATOM 0 H LYS A 106 15.938 4.859 -5.360 1.00 1.65 H new ATOM 0 HA LYS A 106 16.419 7.622 -4.777 1.00 1.78 H new ATOM 0 HB2 LYS A 106 16.124 6.723 -7.671 1.00 2.36 H new ATOM 0 HB3 LYS A 106 15.815 8.364 -7.139 1.00 2.36 H new ATOM 0 HG2 LYS A 106 18.235 8.379 -6.264 1.00 2.91 H new ATOM 0 HG3 LYS A 106 18.461 6.892 -7.163 1.00 2.91 H new ATOM 0 HD2 LYS A 106 17.660 9.608 -8.281 1.00 3.40 H new ATOM 0 HD3 LYS A 106 19.167 8.756 -8.556 1.00 3.40 H new ATOM 0 HE2 LYS A 106 16.431 7.745 -9.432 1.00 4.35 H new ATOM 0 HE3 LYS A 106 17.551 8.601 -10.473 1.00 4.35 H new ATOM 0 HZ1 LYS A 106 18.719 6.761 -10.816 1.00 4.92 H new ATOM 0 HZ2 LYS A 106 18.801 6.383 -9.162 1.00 4.92 H new ATOM 0 HZ3 LYS A 106 17.452 5.904 -10.077 1.00 4.92 H new ATOM 510 N THR A 107 13.912 7.913 -4.845 1.00 1.10 N ATOM 511 CA THR A 107 12.463 8.152 -4.860 1.00 0.79 C ATOM 512 C THR A 107 11.626 6.912 -4.534 1.00 0.61 C ATOM 513 O THR A 107 12.116 5.917 -3.994 1.00 0.63 O ATOM 514 CB THR A 107 12.007 8.723 -6.230 1.00 0.92 C ATOM 515 OG1 THR A 107 12.419 7.867 -7.301 1.00 1.28 O ATOM 516 CG2 THR A 107 12.564 10.123 -6.445 1.00 1.08 C ATOM 0 H THR A 107 14.432 8.609 -4.311 1.00 1.10 H new ATOM 0 HA THR A 107 12.287 8.879 -4.067 1.00 0.79 H new ATOM 0 HB THR A 107 10.918 8.776 -6.222 1.00 0.92 H new ATOM 0 HG1 THR A 107 12.569 8.402 -8.108 1.00 1.28 H new ATOM 0 HG21 THR A 107 12.231 10.503 -7.411 1.00 1.08 H new ATOM 0 HG22 THR A 107 12.207 10.782 -5.654 1.00 1.08 H new ATOM 0 HG23 THR A 107 13.653 10.088 -6.424 1.00 1.08 H new ATOM 524 N VAL A 108 10.336 7.024 -4.804 1.00 0.57 N ATOM 525 CA VAL A 108 9.437 5.885 -4.786 1.00 0.44 C ATOM 526 C VAL A 108 9.546 5.159 -6.123 1.00 0.41 C ATOM 527 O VAL A 108 9.234 3.979 -6.246 1.00 0.40 O ATOM 528 CB VAL A 108 7.973 6.340 -4.565 1.00 0.42 C ATOM 529 CG1 VAL A 108 7.031 5.150 -4.467 1.00 0.35 C ATOM 530 CG2 VAL A 108 7.862 7.207 -3.321 1.00 0.56 C ATOM 0 H VAL A 108 9.884 7.907 -5.042 1.00 0.57 H new ATOM 0 HA VAL A 108 9.716 5.223 -3.966 1.00 0.44 H new ATOM 0 HB VAL A 108 7.677 6.932 -5.431 1.00 0.42 H new ATOM 0 HG11 VAL A 108 6.012 5.504 -4.312 1.00 0.35 H new ATOM 0 HG12 VAL A 108 7.078 4.572 -5.390 1.00 0.35 H new ATOM 0 HG13 VAL A 108 7.327 4.520 -3.629 1.00 0.35 H new ATOM 0 HG21 VAL A 108 6.826 7.516 -3.184 1.00 0.56 H new ATOM 0 HG22 VAL A 108 8.189 6.638 -2.451 1.00 0.56 H new ATOM 0 HG23 VAL A 108 8.492 8.089 -3.435 1.00 0.56 H new ATOM 540 N THR A 109 10.037 5.888 -7.111 1.00 0.46 N ATOM 541 CA THR A 109 10.066 5.446 -8.480 1.00 0.53 C ATOM 542 C THR A 109 11.066 4.313 -8.712 1.00 0.56 C ATOM 543 O THR A 109 10.686 3.199 -9.083 1.00 0.63 O ATOM 544 CB THR A 109 10.469 6.645 -9.331 1.00 0.67 C ATOM 545 OG1 THR A 109 9.712 7.794 -8.932 1.00 1.39 O ATOM 546 CG2 THR A 109 10.246 6.370 -10.787 1.00 1.15 C ATOM 0 H THR A 109 10.432 6.819 -6.974 1.00 0.46 H new ATOM 0 HA THR A 109 9.082 5.060 -8.745 1.00 0.53 H new ATOM 0 HB THR A 109 11.532 6.835 -9.179 1.00 0.67 H new ATOM 0 HG1 THR A 109 9.878 8.529 -9.559 1.00 1.39 H new ATOM 0 HG21 THR A 109 10.542 7.241 -11.371 1.00 1.15 H new ATOM 0 HG22 THR A 109 10.843 5.510 -11.090 1.00 1.15 H new ATOM 0 HG23 THR A 109 9.191 6.158 -10.960 1.00 1.15 H new ATOM 554 N ASP A 110 12.339 4.597 -8.459 1.00 0.60 N ATOM 555 CA ASP A 110 13.409 3.631 -8.697 1.00 0.68 C ATOM 556 C ASP A 110 13.299 2.462 -7.731 1.00 0.58 C ATOM 557 O ASP A 110 13.697 1.336 -8.040 1.00 0.60 O ATOM 558 CB ASP A 110 14.783 4.298 -8.562 1.00 0.87 C ATOM 559 CG ASP A 110 15.059 5.312 -9.658 1.00 1.58 C ATOM 560 OD1 ASP A 110 14.354 6.342 -9.714 1.00 2.48 O ATOM 561 OD2 ASP A 110 15.972 5.081 -10.478 1.00 1.72 O ATOM 0 H ASP A 110 12.657 5.492 -8.087 1.00 0.60 H new ATOM 0 HA ASP A 110 13.304 3.255 -9.715 1.00 0.68 H new ATOM 0 HB2 ASP A 110 14.848 4.792 -7.593 1.00 0.87 H new ATOM 0 HB3 ASP A 110 15.557 3.531 -8.581 1.00 0.87 H new ATOM 566 N MET A 111 12.746 2.733 -6.564 1.00 0.54 N ATOM 567 CA MET A 111 12.548 1.700 -5.563 1.00 0.51 C ATOM 568 C MET A 111 11.463 0.723 -6.010 1.00 0.42 C ATOM 569 O MET A 111 11.681 -0.489 -6.055 1.00 0.46 O ATOM 570 CB MET A 111 12.163 2.325 -4.223 1.00 0.53 C ATOM 571 CG MET A 111 12.156 1.335 -3.072 1.00 0.59 C ATOM 572 SD MET A 111 11.583 2.065 -1.526 1.00 0.71 S ATOM 573 CE MET A 111 12.646 3.504 -1.413 1.00 0.82 C ATOM 0 H MET A 111 12.425 3.660 -6.285 1.00 0.54 H new ATOM 0 HA MET A 111 13.485 1.155 -5.444 1.00 0.51 H new ATOM 0 HB2 MET A 111 12.860 3.131 -3.994 1.00 0.53 H new ATOM 0 HB3 MET A 111 11.174 2.774 -4.312 1.00 0.53 H new ATOM 0 HG2 MET A 111 11.516 0.491 -3.329 1.00 0.59 H new ATOM 0 HG3 MET A 111 13.163 0.941 -2.931 1.00 0.59 H new ATOM 0 HE1 MET A 111 12.847 3.726 -0.365 1.00 0.82 H new ATOM 0 HE2 MET A 111 13.585 3.304 -1.928 1.00 0.82 H new ATOM 0 HE3 MET A 111 12.153 4.358 -1.877 1.00 0.82 H new ATOM 583 N LEU A 112 10.303 1.261 -6.366 1.00 0.36 N ATOM 584 CA LEU A 112 9.148 0.438 -6.701 1.00 0.34 C ATOM 585 C LEU A 112 9.309 -0.271 -8.040 1.00 0.38 C ATOM 586 O LEU A 112 8.798 -1.377 -8.215 1.00 0.37 O ATOM 587 CB LEU A 112 7.864 1.270 -6.686 1.00 0.34 C ATOM 588 CG LEU A 112 7.112 1.278 -5.345 1.00 0.42 C ATOM 589 CD1 LEU A 112 6.604 -0.117 -5.011 1.00 0.79 C ATOM 590 CD2 LEU A 112 7.996 1.791 -4.216 1.00 0.45 C ATOM 0 H LEU A 112 10.137 2.265 -6.430 1.00 0.36 H new ATOM 0 HA LEU A 112 9.077 -0.334 -5.934 1.00 0.34 H new ATOM 0 HB2 LEU A 112 8.111 2.297 -6.953 1.00 0.34 H new ATOM 0 HB3 LEU A 112 7.195 0.892 -7.459 1.00 0.34 H new ATOM 0 HG LEU A 112 6.263 1.953 -5.447 1.00 0.42 H new ATOM 0 HD11 LEU A 112 6.074 -0.093 -4.059 1.00 0.79 H new ATOM 0 HD12 LEU A 112 5.926 -0.455 -5.795 1.00 0.79 H new ATOM 0 HD13 LEU A 112 7.447 -0.804 -4.940 1.00 0.79 H new ATOM 0 HD21 LEU A 112 7.434 1.784 -3.282 1.00 0.45 H new ATOM 0 HD22 LEU A 112 8.871 1.148 -4.118 1.00 0.45 H new ATOM 0 HD23 LEU A 112 8.317 2.809 -4.439 1.00 0.45 H new ATOM 602 N MET A 113 10.022 0.344 -8.982 1.00 0.44 N ATOM 603 CA MET A 113 10.250 -0.294 -10.279 1.00 0.50 C ATOM 604 C MET A 113 11.054 -1.579 -10.098 1.00 0.50 C ATOM 605 O MET A 113 10.921 -2.524 -10.875 1.00 0.54 O ATOM 606 CB MET A 113 10.967 0.645 -11.262 1.00 0.60 C ATOM 607 CG MET A 113 12.411 0.949 -10.899 1.00 0.64 C ATOM 608 SD MET A 113 13.277 1.868 -12.186 1.00 1.07 S ATOM 609 CE MET A 113 12.300 3.370 -12.253 1.00 2.09 C ATOM 0 H MET A 113 10.445 1.266 -8.876 1.00 0.44 H new ATOM 0 HA MET A 113 9.275 -0.533 -10.704 1.00 0.50 H new ATOM 0 HB2 MET A 113 10.941 0.199 -12.256 1.00 0.60 H new ATOM 0 HB3 MET A 113 10.414 1.583 -11.319 1.00 0.60 H new ATOM 0 HG2 MET A 113 12.435 1.521 -9.972 1.00 0.64 H new ATOM 0 HG3 MET A 113 12.938 0.014 -10.710 1.00 0.64 H new ATOM 0 HE1 MET A 113 12.962 4.231 -12.340 1.00 2.09 H new ATOM 0 HE2 MET A 113 11.636 3.334 -13.117 1.00 2.09 H new ATOM 0 HE3 MET A 113 11.707 3.459 -11.343 1.00 2.09 H new ATOM 619 N THR A 114 11.877 -1.607 -9.057 1.00 0.47 N ATOM 620 CA THR A 114 12.638 -2.795 -8.712 1.00 0.48 C ATOM 621 C THR A 114 11.707 -3.860 -8.138 1.00 0.41 C ATOM 622 O THR A 114 11.707 -5.005 -8.584 1.00 0.42 O ATOM 623 CB THR A 114 13.744 -2.457 -7.691 1.00 0.54 C ATOM 624 OG1 THR A 114 14.543 -1.371 -8.186 1.00 0.65 O ATOM 625 CG2 THR A 114 14.634 -3.663 -7.424 1.00 0.54 C ATOM 0 H THR A 114 12.033 -0.814 -8.435 1.00 0.47 H new ATOM 0 HA THR A 114 13.109 -3.179 -9.617 1.00 0.48 H new ATOM 0 HB THR A 114 13.266 -2.170 -6.754 1.00 0.54 H new ATOM 0 HG1 THR A 114 14.071 -0.525 -8.041 1.00 0.65 H new ATOM 0 HG21 THR A 114 15.404 -3.394 -6.701 1.00 0.54 H new ATOM 0 HG22 THR A 114 14.031 -4.479 -7.026 1.00 0.54 H new ATOM 0 HG23 THR A 114 15.105 -3.981 -8.354 1.00 0.54 H new ATOM 633 N ILE A 115 10.893 -3.454 -7.168 1.00 0.36 N ATOM 634 CA ILE A 115 9.922 -4.341 -6.537 1.00 0.35 C ATOM 635 C ILE A 115 8.972 -4.946 -7.570 1.00 0.34 C ATOM 636 O ILE A 115 8.670 -6.139 -7.522 1.00 0.36 O ATOM 637 CB ILE A 115 9.103 -3.594 -5.462 1.00 0.36 C ATOM 638 CG1 ILE A 115 10.040 -2.979 -4.416 1.00 0.40 C ATOM 639 CG2 ILE A 115 8.103 -4.534 -4.796 1.00 0.40 C ATOM 640 CD1 ILE A 115 9.328 -2.158 -3.362 1.00 0.43 C ATOM 0 H ILE A 115 10.888 -2.503 -6.798 1.00 0.36 H new ATOM 0 HA ILE A 115 10.484 -5.145 -6.061 1.00 0.35 H new ATOM 0 HB ILE A 115 8.546 -2.793 -5.947 1.00 0.36 H new ATOM 0 HG12 ILE A 115 10.596 -3.778 -3.926 1.00 0.40 H new ATOM 0 HG13 ILE A 115 10.770 -2.348 -4.923 1.00 0.40 H new ATOM 0 HG21 ILE A 115 7.536 -3.988 -4.042 1.00 0.40 H new ATOM 0 HG22 ILE A 115 7.420 -4.930 -5.547 1.00 0.40 H new ATOM 0 HG23 ILE A 115 8.637 -5.357 -4.322 1.00 0.40 H new ATOM 0 HD11 ILE A 115 10.058 -1.757 -2.659 1.00 0.43 H new ATOM 0 HD12 ILE A 115 8.795 -1.336 -3.840 1.00 0.43 H new ATOM 0 HD13 ILE A 115 8.618 -2.789 -2.827 1.00 0.43 H new ATOM 652 N CYS A 116 8.516 -4.129 -8.515 1.00 0.37 N ATOM 653 CA CYS A 116 7.621 -4.609 -9.563 1.00 0.44 C ATOM 654 C CYS A 116 8.312 -5.660 -10.428 1.00 0.45 C ATOM 655 O CYS A 116 7.680 -6.602 -10.891 1.00 0.51 O ATOM 656 CB CYS A 116 7.126 -3.453 -10.433 1.00 0.55 C ATOM 657 SG CYS A 116 6.250 -2.166 -9.518 1.00 1.30 S ATOM 0 H CYS A 116 8.749 -3.138 -8.577 1.00 0.37 H new ATOM 0 HA CYS A 116 6.760 -5.069 -9.079 1.00 0.44 H new ATOM 0 HB2 CYS A 116 7.979 -3.005 -10.943 1.00 0.55 H new ATOM 0 HB3 CYS A 116 6.466 -3.849 -11.204 1.00 0.55 H new ATOM 0 HG CYS A 116 7.092 -1.515 -8.772 1.00 1.30 H new ATOM 663 N ALA A 117 9.614 -5.509 -10.626 1.00 0.45 N ATOM 664 CA ALA A 117 10.378 -6.480 -11.397 1.00 0.50 C ATOM 665 C ALA A 117 10.571 -7.764 -10.602 1.00 0.45 C ATOM 666 O ALA A 117 10.732 -8.845 -11.173 1.00 0.51 O ATOM 667 CB ALA A 117 11.719 -5.899 -11.818 1.00 0.58 C ATOM 0 H ALA A 117 10.161 -4.727 -10.265 1.00 0.45 H new ATOM 0 HA ALA A 117 9.815 -6.719 -12.299 1.00 0.50 H new ATOM 0 HB1 ALA A 117 12.273 -6.641 -12.393 1.00 0.58 H new ATOM 0 HB2 ALA A 117 11.555 -5.013 -12.432 1.00 0.58 H new ATOM 0 HB3 ALA A 117 12.291 -5.625 -10.932 1.00 0.58 H new ATOM 673 N ARG A 118 10.562 -7.639 -9.277 1.00 0.41 N ATOM 674 CA ARG A 118 10.660 -8.799 -8.399 1.00 0.45 C ATOM 675 C ARG A 118 9.391 -9.638 -8.516 1.00 0.51 C ATOM 676 O ARG A 118 9.446 -10.860 -8.654 1.00 0.62 O ATOM 677 CB ARG A 118 10.856 -8.374 -6.934 1.00 0.47 C ATOM 678 CG ARG A 118 11.947 -7.333 -6.708 1.00 0.46 C ATOM 679 CD ARG A 118 13.268 -7.748 -7.336 1.00 0.53 C ATOM 680 NE ARG A 118 13.797 -8.982 -6.752 1.00 1.33 N ATOM 681 CZ ARG A 118 14.703 -9.756 -7.349 1.00 1.75 C ATOM 682 NH1 ARG A 118 15.247 -9.378 -8.500 1.00 1.63 N ATOM 683 NH2 ARG A 118 15.089 -10.893 -6.783 1.00 2.63 N ATOM 0 H ARG A 118 10.488 -6.746 -8.789 1.00 0.41 H new ATOM 0 HA ARG A 118 11.526 -9.385 -8.706 1.00 0.45 H new ATOM 0 HB2 ARG A 118 9.913 -7.979 -6.556 1.00 0.47 H new ATOM 0 HB3 ARG A 118 11.090 -9.259 -6.342 1.00 0.47 H new ATOM 0 HG2 ARG A 118 11.630 -6.378 -7.128 1.00 0.46 H new ATOM 0 HG3 ARG A 118 12.086 -7.180 -5.638 1.00 0.46 H new ATOM 0 HD2 ARG A 118 13.131 -7.886 -8.408 1.00 0.53 H new ATOM 0 HD3 ARG A 118 13.996 -6.947 -7.208 1.00 0.53 H new ATOM 0 HE ARG A 118 13.452 -9.266 -5.835 1.00 1.33 H new ATOM 0 HH11 ARG A 118 14.972 -8.494 -8.928 1.00 1.63 H new ATOM 0 HH12 ARG A 118 15.940 -9.971 -8.956 1.00 1.63 H new ATOM 0 HH21 ARG A 118 14.692 -11.177 -5.888 1.00 2.63 H new ATOM 0 HH22 ARG A 118 15.783 -11.482 -7.244 1.00 2.63 H new ATOM 697 N ILE A 119 8.247 -8.960 -8.485 1.00 0.53 N ATOM 698 CA ILE A 119 6.951 -9.628 -8.509 1.00 0.68 C ATOM 699 C ILE A 119 6.468 -9.899 -9.935 1.00 0.67 C ATOM 700 O ILE A 119 5.475 -10.600 -10.135 1.00 0.91 O ATOM 701 CB ILE A 119 5.886 -8.803 -7.754 1.00 0.80 C ATOM 702 CG1 ILE A 119 5.781 -7.397 -8.352 1.00 0.80 C ATOM 703 CG2 ILE A 119 6.223 -8.739 -6.270 1.00 0.80 C ATOM 704 CD1 ILE A 119 4.793 -6.498 -7.642 1.00 1.05 C ATOM 0 H ILE A 119 8.193 -7.942 -8.443 1.00 0.53 H new ATOM 0 HA ILE A 119 7.088 -10.586 -8.007 1.00 0.68 H new ATOM 0 HB ILE A 119 4.918 -9.292 -7.863 1.00 0.80 H new ATOM 0 HG12 ILE A 119 6.765 -6.929 -8.328 1.00 0.80 H new ATOM 0 HG13 ILE A 119 5.493 -7.480 -9.400 1.00 0.80 H new ATOM 0 HG21 ILE A 119 5.464 -8.155 -5.749 1.00 0.80 H new ATOM 0 HG22 ILE A 119 6.249 -9.748 -5.859 1.00 0.80 H new ATOM 0 HG23 ILE A 119 7.197 -8.268 -6.138 1.00 0.80 H new ATOM 0 HD11 ILE A 119 4.777 -5.521 -8.125 1.00 1.05 H new ATOM 0 HD12 ILE A 119 3.799 -6.942 -7.689 1.00 1.05 H new ATOM 0 HD13 ILE A 119 5.090 -6.382 -6.600 1.00 1.05 H new ATOM 716 N GLY A 120 7.161 -9.342 -10.923 1.00 0.54 N ATOM 717 CA GLY A 120 6.817 -9.611 -12.308 1.00 0.58 C ATOM 718 C GLY A 120 5.675 -8.748 -12.813 1.00 0.67 C ATOM 719 O GLY A 120 4.702 -9.256 -13.374 1.00 1.03 O ATOM 0 H GLY A 120 7.952 -8.711 -10.791 1.00 0.54 H new ATOM 0 HA2 GLY A 120 7.694 -9.446 -12.933 1.00 0.58 H new ATOM 0 HA3 GLY A 120 6.545 -10.661 -12.412 1.00 0.58 H new ATOM 723 N ILE A 121 5.787 -7.449 -12.595 1.00 0.55 N ATOM 724 CA ILE A 121 4.818 -6.491 -13.103 1.00 0.63 C ATOM 725 C ILE A 121 5.512 -5.488 -14.020 1.00 0.83 C ATOM 726 O ILE A 121 6.527 -4.895 -13.647 1.00 1.29 O ATOM 727 CB ILE A 121 4.097 -5.754 -11.947 1.00 0.53 C ATOM 728 CG1 ILE A 121 3.082 -6.691 -11.281 1.00 0.73 C ATOM 729 CG2 ILE A 121 3.419 -4.483 -12.441 1.00 0.64 C ATOM 730 CD1 ILE A 121 2.282 -6.044 -10.169 1.00 0.60 C ATOM 0 H ILE A 121 6.549 -7.029 -12.063 1.00 0.55 H new ATOM 0 HA ILE A 121 4.064 -7.036 -13.672 1.00 0.63 H new ATOM 0 HB ILE A 121 4.842 -5.461 -11.208 1.00 0.53 H new ATOM 0 HG12 ILE A 121 2.394 -7.063 -12.040 1.00 0.73 H new ATOM 0 HG13 ILE A 121 3.611 -7.555 -10.879 1.00 0.73 H new ATOM 0 HG21 ILE A 121 2.922 -3.988 -11.607 1.00 0.64 H new ATOM 0 HG22 ILE A 121 4.167 -3.814 -12.867 1.00 0.64 H new ATOM 0 HG23 ILE A 121 2.683 -4.736 -13.204 1.00 0.64 H new ATOM 0 HD11 ILE A 121 1.587 -6.772 -9.750 1.00 0.60 H new ATOM 0 HD12 ILE A 121 2.959 -5.697 -9.388 1.00 0.60 H new ATOM 0 HD13 ILE A 121 1.724 -5.197 -10.568 1.00 0.60 H new ATOM 742 N THR A 122 4.968 -5.312 -15.218 1.00 1.51 N ATOM 743 CA THR A 122 5.582 -4.457 -16.223 1.00 1.86 C ATOM 744 C THR A 122 5.183 -2.996 -16.032 1.00 1.60 C ATOM 745 O THR A 122 6.036 -2.105 -16.008 1.00 1.93 O ATOM 746 CB THR A 122 5.184 -4.907 -17.643 1.00 2.48 C ATOM 747 OG1 THR A 122 5.495 -6.298 -17.822 1.00 2.82 O ATOM 748 CG2 THR A 122 5.905 -4.080 -18.701 1.00 2.94 C ATOM 0 H THR A 122 4.098 -5.753 -15.517 1.00 1.51 H new ATOM 0 HA THR A 122 6.662 -4.546 -16.102 1.00 1.86 H new ATOM 0 HB THR A 122 4.111 -4.755 -17.759 1.00 2.48 H new ATOM 0 HG1 THR A 122 5.238 -6.577 -18.726 1.00 2.82 H new ATOM 0 HG21 THR A 122 5.606 -4.418 -19.693 1.00 2.94 H new ATOM 0 HG22 THR A 122 5.643 -3.029 -18.582 1.00 2.94 H new ATOM 0 HG23 THR A 122 6.982 -4.201 -18.586 1.00 2.94 H new ATOM 756 N ASN A 123 3.886 -2.756 -15.887 1.00 1.70 N ATOM 757 CA ASN A 123 3.367 -1.397 -15.794 1.00 1.62 C ATOM 758 C ASN A 123 3.755 -0.760 -14.465 1.00 1.70 C ATOM 759 O ASN A 123 3.712 -1.407 -13.421 1.00 2.45 O ATOM 760 CB ASN A 123 1.845 -1.393 -15.949 1.00 2.23 C ATOM 761 CG ASN A 123 1.273 0.010 -16.028 1.00 2.56 C ATOM 762 OD1 ASN A 123 0.989 0.639 -15.012 1.00 3.04 O ATOM 763 ND2 ASN A 123 1.093 0.507 -17.239 1.00 2.99 N ATOM 0 H ASN A 123 3.174 -3.484 -15.831 1.00 1.70 H new ATOM 0 HA ASN A 123 3.806 -0.812 -16.602 1.00 1.62 H new ATOM 0 HB2 ASN A 123 1.573 -1.944 -16.849 1.00 2.23 H new ATOM 0 HB3 ASN A 123 1.396 -1.918 -15.106 1.00 2.23 H new ATOM 0 HD21 ASN A 123 0.706 1.444 -17.353 1.00 2.99 H new ATOM 0 HD22 ASN A 123 1.341 -0.046 -18.059 1.00 2.99 H new ATOM 770 N HIS A 124 4.153 0.501 -14.509 1.00 1.79 N ATOM 771 CA HIS A 124 4.547 1.215 -13.300 1.00 2.42 C ATOM 772 C HIS A 124 3.722 2.485 -13.131 1.00 1.95 C ATOM 773 O HIS A 124 3.572 2.997 -12.021 1.00 2.58 O ATOM 774 CB HIS A 124 6.031 1.588 -13.344 1.00 3.50 C ATOM 775 CG HIS A 124 6.960 0.427 -13.523 1.00 4.50 C ATOM 776 ND1 HIS A 124 7.876 0.359 -14.548 1.00 5.27 N ATOM 777 CD2 HIS A 124 7.127 -0.704 -12.798 1.00 5.23 C ATOM 778 CE1 HIS A 124 8.567 -0.757 -14.446 1.00 6.25 C ATOM 779 NE2 HIS A 124 8.136 -1.425 -13.393 1.00 6.24 N ATOM 0 H HIS A 124 4.213 1.052 -15.365 1.00 1.79 H new ATOM 0 HA HIS A 124 4.368 0.550 -12.455 1.00 2.42 H new ATOM 0 HB2 HIS A 124 6.191 2.294 -14.159 1.00 3.50 H new ATOM 0 HB3 HIS A 124 6.290 2.105 -12.420 1.00 3.50 H new ATOM 0 HD2 HIS A 124 6.571 -0.987 -11.916 1.00 5.23 H new ATOM 0 HE1 HIS A 124 9.355 -1.073 -15.113 1.00 6.25 H new ATOM 0 HE2 HIS A 124 8.492 -2.326 -13.073 1.00 6.24 H new ATOM 788 N ASP A 125 3.184 2.984 -14.238 1.00 1.36 N ATOM 789 CA ASP A 125 2.484 4.267 -14.246 1.00 1.73 C ATOM 790 C ASP A 125 1.099 4.161 -13.625 1.00 1.67 C ATOM 791 O ASP A 125 0.726 4.976 -12.782 1.00 1.95 O ATOM 792 CB ASP A 125 2.357 4.807 -15.672 1.00 2.22 C ATOM 793 CG ASP A 125 3.679 5.270 -16.245 1.00 3.00 C ATOM 794 OD1 ASP A 125 4.024 6.458 -16.068 1.00 3.47 O ATOM 795 OD2 ASP A 125 4.378 4.452 -16.881 1.00 3.57 O ATOM 0 H ASP A 125 3.218 2.519 -15.145 1.00 1.36 H new ATOM 0 HA ASP A 125 3.079 4.955 -13.646 1.00 1.73 H new ATOM 0 HB2 ASP A 125 1.940 4.031 -16.314 1.00 2.22 H new ATOM 0 HB3 ASP A 125 1.652 5.638 -15.679 1.00 2.22 H new ATOM 800 N GLU A 126 0.343 3.155 -14.038 1.00 1.58 N ATOM 801 CA GLU A 126 -1.040 3.012 -13.603 1.00 1.86 C ATOM 802 C GLU A 126 -1.106 2.366 -12.225 1.00 1.36 C ATOM 803 O GLU A 126 -2.165 2.311 -11.595 1.00 1.70 O ATOM 804 CB GLU A 126 -1.828 2.186 -14.620 1.00 2.55 C ATOM 805 CG GLU A 126 -1.768 2.748 -16.033 1.00 3.40 C ATOM 806 CD GLU A 126 -2.407 4.118 -16.152 1.00 4.27 C ATOM 807 OE1 GLU A 126 -1.712 5.122 -15.886 1.00 4.72 O ATOM 808 OE2 GLU A 126 -3.607 4.200 -16.498 1.00 4.78 O ATOM 0 H GLU A 126 0.663 2.425 -14.674 1.00 1.58 H new ATOM 0 HA GLU A 126 -1.487 4.004 -13.535 1.00 1.86 H new ATOM 0 HB2 GLU A 126 -1.442 1.167 -14.626 1.00 2.55 H new ATOM 0 HB3 GLU A 126 -2.869 2.131 -14.303 1.00 2.55 H new ATOM 0 HG2 GLU A 126 -0.727 2.810 -16.350 1.00 3.40 H new ATOM 0 HG3 GLU A 126 -2.268 2.059 -16.714 1.00 3.40 H new ATOM 815 N TYR A 127 0.033 1.872 -11.761 1.00 0.80 N ATOM 816 CA TYR A 127 0.120 1.293 -10.435 1.00 0.65 C ATOM 817 C TYR A 127 0.500 2.353 -9.415 1.00 0.67 C ATOM 818 O TYR A 127 1.611 2.885 -9.430 1.00 1.03 O ATOM 819 CB TYR A 127 1.119 0.139 -10.399 1.00 0.93 C ATOM 820 CG TYR A 127 0.610 -1.121 -11.067 1.00 0.80 C ATOM 821 CD1 TYR A 127 0.738 -1.310 -12.436 1.00 1.36 C ATOM 822 CD2 TYR A 127 -0.006 -2.118 -10.323 1.00 0.69 C ATOM 823 CE1 TYR A 127 0.267 -2.458 -13.045 1.00 1.33 C ATOM 824 CE2 TYR A 127 -0.479 -3.268 -10.923 1.00 0.71 C ATOM 825 CZ TYR A 127 -0.340 -3.434 -12.284 1.00 0.74 C ATOM 826 OH TYR A 127 -0.817 -4.577 -12.885 1.00 0.83 O ATOM 0 H TYR A 127 0.908 1.862 -12.286 1.00 0.80 H new ATOM 0 HA TYR A 127 -0.862 0.896 -10.179 1.00 0.65 H new ATOM 0 HB2 TYR A 127 2.042 0.452 -10.887 1.00 0.93 H new ATOM 0 HB3 TYR A 127 1.367 -0.084 -9.361 1.00 0.93 H new ATOM 0 HD1 TYR A 127 1.213 -0.548 -13.035 1.00 1.36 H new ATOM 0 HD2 TYR A 127 -0.117 -1.992 -9.256 1.00 0.69 H new ATOM 0 HE1 TYR A 127 0.374 -2.590 -14.112 1.00 1.33 H new ATOM 0 HE2 TYR A 127 -0.956 -4.034 -10.329 1.00 0.71 H new ATOM 0 HH TYR A 127 -1.214 -5.162 -12.207 1.00 0.83 H new ATOM 836 N SER A 128 -0.438 2.653 -8.537 1.00 0.56 N ATOM 837 CA SER A 128 -0.233 3.643 -7.502 1.00 0.59 C ATOM 838 C SER A 128 0.210 2.959 -6.221 1.00 0.48 C ATOM 839 O SER A 128 -0.132 1.800 -5.977 1.00 0.49 O ATOM 840 CB SER A 128 -1.525 4.423 -7.260 1.00 0.77 C ATOM 841 OG SER A 128 -2.004 5.004 -8.462 1.00 1.44 O ATOM 0 H SER A 128 -1.360 2.218 -8.523 1.00 0.56 H new ATOM 0 HA SER A 128 0.542 4.339 -7.822 1.00 0.59 H new ATOM 0 HB2 SER A 128 -2.283 3.758 -6.847 1.00 0.77 H new ATOM 0 HB3 SER A 128 -1.349 5.204 -6.520 1.00 0.77 H new ATOM 0 HG SER A 128 -2.832 5.496 -8.280 1.00 1.44 H new ATOM 847 N LEU A 129 0.977 3.658 -5.407 1.00 0.45 N ATOM 848 CA LEU A 129 1.450 3.078 -4.170 1.00 0.40 C ATOM 849 C LEU A 129 0.676 3.672 -3.012 1.00 0.34 C ATOM 850 O LEU A 129 0.407 4.870 -2.987 1.00 0.37 O ATOM 851 CB LEU A 129 2.954 3.309 -3.961 1.00 0.46 C ATOM 852 CG LEU A 129 3.882 2.943 -5.131 1.00 0.58 C ATOM 853 CD1 LEU A 129 3.525 1.584 -5.704 1.00 1.02 C ATOM 854 CD2 LEU A 129 3.858 4.014 -6.213 1.00 1.31 C ATOM 0 H LEU A 129 1.282 4.616 -5.578 1.00 0.45 H new ATOM 0 HA LEU A 129 1.289 2.001 -4.222 1.00 0.40 H new ATOM 0 HB2 LEU A 129 3.106 4.362 -3.724 1.00 0.46 H new ATOM 0 HB3 LEU A 129 3.267 2.737 -3.088 1.00 0.46 H new ATOM 0 HG LEU A 129 4.899 2.888 -4.742 1.00 0.58 H new ATOM 0 HD11 LEU A 129 4.197 1.350 -6.530 1.00 1.02 H new ATOM 0 HD12 LEU A 129 3.625 0.825 -4.928 1.00 1.02 H new ATOM 0 HD13 LEU A 129 2.497 1.600 -6.066 1.00 1.02 H new ATOM 0 HD21 LEU A 129 4.524 3.725 -7.026 1.00 1.31 H new ATOM 0 HD22 LEU A 129 2.843 4.121 -6.596 1.00 1.31 H new ATOM 0 HD23 LEU A 129 4.189 4.964 -5.792 1.00 1.31 H new ATOM 866 N VAL A 130 0.294 2.838 -2.073 1.00 0.30 N ATOM 867 CA VAL A 130 -0.390 3.309 -0.886 1.00 0.27 C ATOM 868 C VAL A 130 0.280 2.743 0.357 1.00 0.31 C ATOM 869 O VAL A 130 0.648 1.572 0.401 1.00 0.34 O ATOM 870 CB VAL A 130 -1.911 2.969 -0.908 1.00 0.33 C ATOM 871 CG1 VAL A 130 -2.263 2.056 -2.072 1.00 0.51 C ATOM 872 CG2 VAL A 130 -2.372 2.340 0.396 1.00 0.66 C ATOM 0 H VAL A 130 0.444 1.830 -2.106 1.00 0.30 H new ATOM 0 HA VAL A 130 -0.315 4.396 -0.867 1.00 0.27 H new ATOM 0 HB VAL A 130 -2.435 3.916 -1.035 1.00 0.33 H new ATOM 0 HG11 VAL A 130 -3.331 1.840 -2.055 1.00 0.51 H new ATOM 0 HG12 VAL A 130 -2.007 2.548 -3.010 1.00 0.51 H new ATOM 0 HG13 VAL A 130 -1.704 1.125 -1.986 1.00 0.51 H new ATOM 0 HG21 VAL A 130 -3.438 2.119 0.337 1.00 0.66 H new ATOM 0 HG22 VAL A 130 -1.819 1.417 0.570 1.00 0.66 H new ATOM 0 HG23 VAL A 130 -2.190 3.032 1.218 1.00 0.66 H new ATOM 882 N ARG A 131 0.483 3.589 1.347 1.00 0.37 N ATOM 883 CA ARG A 131 1.068 3.154 2.597 1.00 0.44 C ATOM 884 C ARG A 131 -0.015 2.613 3.509 1.00 0.48 C ATOM 885 O ARG A 131 -0.890 3.358 3.947 1.00 0.58 O ATOM 886 CB ARG A 131 1.786 4.304 3.301 1.00 0.53 C ATOM 887 CG ARG A 131 2.433 3.897 4.600 1.00 1.14 C ATOM 888 CD ARG A 131 2.973 5.101 5.338 1.00 1.21 C ATOM 889 NE ARG A 131 3.226 4.779 6.728 1.00 0.99 N ATOM 890 CZ ARG A 131 3.406 5.679 7.694 1.00 1.15 C ATOM 891 NH1 ARG A 131 3.416 6.978 7.414 1.00 1.84 N ATOM 892 NH2 ARG A 131 3.588 5.271 8.940 1.00 1.52 N ATOM 0 H ARG A 131 0.251 4.582 1.309 1.00 0.37 H new ATOM 0 HA ARG A 131 1.795 2.373 2.374 1.00 0.44 H new ATOM 0 HB2 ARG A 131 2.548 4.709 2.635 1.00 0.53 H new ATOM 0 HB3 ARG A 131 1.072 5.105 3.494 1.00 0.53 H new ATOM 0 HG2 ARG A 131 1.706 3.379 5.225 1.00 1.14 H new ATOM 0 HG3 ARG A 131 3.242 3.194 4.403 1.00 1.14 H new ATOM 0 HD2 ARG A 131 3.894 5.441 4.865 1.00 1.21 H new ATOM 0 HD3 ARG A 131 2.260 5.923 5.274 1.00 1.21 H new ATOM 0 HE ARG A 131 3.269 3.793 6.985 1.00 0.99 H new ATOM 0 HH11 ARG A 131 3.285 7.294 6.453 1.00 1.84 H new ATOM 0 HH12 ARG A 131 3.554 7.659 8.160 1.00 1.84 H new ATOM 0 HH21 ARG A 131 3.590 4.274 9.155 1.00 1.52 H new ATOM 0 HH22 ARG A 131 3.726 5.954 9.685 1.00 1.52 H new ATOM 906 N GLU A 132 0.035 1.325 3.776 1.00 0.47 N ATOM 907 CA GLU A 132 -0.842 0.735 4.760 1.00 0.57 C ATOM 908 C GLU A 132 -0.162 0.832 6.116 1.00 0.66 C ATOM 909 O GLU A 132 0.845 0.164 6.368 1.00 0.75 O ATOM 910 CB GLU A 132 -1.160 -0.718 4.401 1.00 0.62 C ATOM 911 CG GLU A 132 -2.143 -1.385 5.351 1.00 1.02 C ATOM 912 CD GLU A 132 -2.382 -2.843 5.015 1.00 1.27 C ATOM 913 OE1 GLU A 132 -2.773 -3.135 3.862 1.00 1.26 O ATOM 914 OE2 GLU A 132 -2.161 -3.706 5.892 1.00 2.12 O ATOM 0 H GLU A 132 0.673 0.669 3.325 1.00 0.47 H new ATOM 0 HA GLU A 132 -1.791 1.270 4.787 1.00 0.57 H new ATOM 0 HB2 GLU A 132 -1.566 -0.752 3.390 1.00 0.62 H new ATOM 0 HB3 GLU A 132 -0.233 -1.291 4.391 1.00 0.62 H new ATOM 0 HG2 GLU A 132 -1.766 -1.308 6.371 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -3.092 -0.849 5.321 1.00 1.02 H new ATOM 921 N LEU A 133 -0.690 1.706 6.960 1.00 0.77 N ATOM 922 CA LEU A 133 -0.077 2.003 8.250 1.00 0.97 C ATOM 923 C LEU A 133 -0.054 0.777 9.153 1.00 1.32 C ATOM 924 O LEU A 133 -0.683 -0.241 8.850 1.00 1.55 O ATOM 925 CB LEU A 133 -0.815 3.151 8.952 1.00 1.18 C ATOM 926 CG LEU A 133 -0.433 4.567 8.497 1.00 1.21 C ATOM 927 CD1 LEU A 133 -0.747 4.775 7.025 1.00 1.25 C ATOM 928 CD2 LEU A 133 -1.152 5.605 9.343 1.00 2.00 C ATOM 0 H LEU A 133 -1.548 2.226 6.774 1.00 0.77 H new ATOM 0 HA LEU A 133 0.952 2.306 8.057 1.00 0.97 H new ATOM 0 HB2 LEU A 133 -1.886 3.017 8.799 1.00 1.18 H new ATOM 0 HB3 LEU A 133 -0.634 3.073 10.024 1.00 1.18 H new ATOM 0 HG LEU A 133 0.642 4.685 8.631 1.00 1.21 H new ATOM 0 HD11 LEU A 133 -0.466 5.787 6.732 1.00 1.25 H new ATOM 0 HD12 LEU A 133 -0.187 4.055 6.428 1.00 1.25 H new ATOM 0 HD13 LEU A 133 -1.814 4.632 6.857 1.00 1.25 H new ATOM 0 HD21 LEU A 133 -0.872 6.604 9.009 1.00 2.00 H new ATOM 0 HD22 LEU A 133 -2.229 5.477 9.239 1.00 2.00 H new ATOM 0 HD23 LEU A 133 -0.871 5.480 10.389 1.00 2.00 H new ATOM 1531 N ASP A 168 -10.590 4.467 3.492 1.00 1.54 N ATOM 1532 CA ASP A 168 -9.317 4.794 2.874 1.00 1.34 C ATOM 1533 C ASP A 168 -8.409 5.507 3.865 1.00 1.35 C ATOM 1534 O ASP A 168 -7.566 6.317 3.491 1.00 1.56 O ATOM 1535 CB ASP A 168 -9.575 5.656 1.637 1.00 1.54 C ATOM 1536 CG ASP A 168 -8.436 5.640 0.642 1.00 1.75 C ATOM 1537 OD1 ASP A 168 -7.963 4.540 0.287 1.00 2.42 O ATOM 1538 OD2 ASP A 168 -8.033 6.730 0.181 1.00 2.11 O ATOM 0 HA ASP A 168 -8.809 3.879 2.570 1.00 1.34 H new ATOM 0 HB2 ASP A 168 -10.483 5.307 1.144 1.00 1.54 H new ATOM 0 HB3 ASP A 168 -9.758 6.683 1.952 1.00 1.54 H new ATOM 1543 N ASP A 169 -8.572 5.180 5.136 1.00 1.37 N ATOM 1544 CA ASP A 169 -7.774 5.801 6.188 1.00 1.46 C ATOM 1545 C ASP A 169 -6.510 4.992 6.452 1.00 1.24 C ATOM 1546 O ASP A 169 -5.443 5.554 6.697 1.00 1.29 O ATOM 1547 CB ASP A 169 -8.585 5.951 7.476 1.00 1.79 C ATOM 1548 CG ASP A 169 -7.820 6.695 8.556 1.00 2.09 C ATOM 1549 OD1 ASP A 169 -7.445 7.865 8.329 1.00 2.57 O ATOM 1550 OD2 ASP A 169 -7.572 6.105 9.629 1.00 2.35 O ATOM 0 H ASP A 169 -9.247 4.490 5.467 1.00 1.37 H new ATOM 0 HA ASP A 169 -7.487 6.796 5.847 1.00 1.46 H new ATOM 0 HB2 ASP A 169 -9.512 6.482 7.259 1.00 1.79 H new ATOM 0 HB3 ASP A 169 -8.862 4.964 7.845 1.00 1.79 H new ATOM 1555 N GLU A 170 -6.631 3.669 6.393 1.00 1.13 N ATOM 1556 CA GLU A 170 -5.469 2.795 6.517 1.00 1.05 C ATOM 1557 C GLU A 170 -4.604 2.898 5.268 1.00 0.82 C ATOM 1558 O GLU A 170 -3.428 2.534 5.276 1.00 0.83 O ATOM 1559 CB GLU A 170 -5.878 1.332 6.731 1.00 1.23 C ATOM 1560 CG GLU A 170 -6.688 1.072 7.989 1.00 1.87 C ATOM 1561 CD GLU A 170 -8.168 1.336 7.813 1.00 2.33 C ATOM 1562 OE1 GLU A 170 -8.579 2.508 7.925 1.00 2.93 O ATOM 1563 OE2 GLU A 170 -8.922 0.380 7.545 1.00 2.60 O ATOM 0 H GLU A 170 -7.517 3.181 6.261 1.00 1.13 H new ATOM 0 HA GLU A 170 -4.905 3.122 7.390 1.00 1.05 H new ATOM 0 HB2 GLU A 170 -6.457 1.002 5.869 1.00 1.23 H new ATOM 0 HB3 GLU A 170 -4.977 0.719 6.763 1.00 1.23 H new ATOM 0 HG2 GLU A 170 -6.545 0.036 8.297 1.00 1.87 H new ATOM 0 HG3 GLU A 170 -6.307 1.700 8.794 1.00 1.87 H new ATOM 1570 N LEU A 171 -5.207 3.397 4.201 1.00 0.73 N ATOM 1571 CA LEU A 171 -4.530 3.536 2.922 1.00 0.62 C ATOM 1572 C LEU A 171 -4.048 4.969 2.722 1.00 0.57 C ATOM 1573 O LEU A 171 -4.837 5.860 2.407 1.00 0.73 O ATOM 1574 CB LEU A 171 -5.458 3.138 1.763 1.00 0.67 C ATOM 1575 CG LEU A 171 -5.637 1.631 1.523 1.00 0.87 C ATOM 1576 CD1 LEU A 171 -6.342 0.965 2.693 1.00 1.34 C ATOM 1577 CD2 LEU A 171 -6.410 1.394 0.237 1.00 1.16 C ATOM 0 H LEU A 171 -6.176 3.716 4.197 1.00 0.73 H new ATOM 0 HA LEU A 171 -3.669 2.867 2.928 1.00 0.62 H new ATOM 0 HB2 LEU A 171 -6.440 3.575 1.945 1.00 0.67 H new ATOM 0 HB3 LEU A 171 -5.074 3.587 0.847 1.00 0.67 H new ATOM 0 HG LEU A 171 -4.647 1.184 1.431 1.00 0.87 H new ATOM 0 HD11 LEU A 171 -6.453 -0.101 2.492 1.00 1.34 H new ATOM 0 HD12 LEU A 171 -5.753 1.104 3.600 1.00 1.34 H new ATOM 0 HD13 LEU A 171 -7.326 1.413 2.828 1.00 1.34 H new ATOM 0 HD21 LEU A 171 -6.531 0.323 0.077 1.00 1.16 H new ATOM 0 HD22 LEU A 171 -7.391 1.863 0.311 1.00 1.16 H new ATOM 0 HD23 LEU A 171 -5.863 1.826 -0.601 1.00 1.16 H new ATOM 1589 N ASN A 172 -2.761 5.197 2.931 1.00 0.49 N ATOM 1590 CA ASN A 172 -2.178 6.505 2.665 1.00 0.51 C ATOM 1591 C ASN A 172 -1.495 6.494 1.306 1.00 0.45 C ATOM 1592 O ASN A 172 -0.326 6.120 1.187 1.00 0.48 O ATOM 1593 CB ASN A 172 -1.181 6.899 3.756 1.00 0.66 C ATOM 1594 CG ASN A 172 -0.684 8.324 3.598 1.00 1.58 C ATOM 1595 OD1 ASN A 172 -1.268 9.262 4.142 1.00 1.82 O ATOM 1596 ND2 ASN A 172 0.392 8.498 2.846 1.00 2.56 N ATOM 0 H ASN A 172 -2.104 4.500 3.281 1.00 0.49 H new ATOM 0 HA ASN A 172 -2.978 7.245 2.662 1.00 0.51 H new ATOM 0 HB2 ASN A 172 -1.652 6.788 4.733 1.00 0.66 H new ATOM 0 HB3 ASN A 172 -0.332 6.216 3.732 1.00 0.66 H new ATOM 0 HD21 ASN A 172 0.766 9.436 2.700 1.00 2.56 H new ATOM 0 HD22 ASN A 172 0.847 7.694 2.413 1.00 2.56 H new ATOM 1603 N TRP A 173 -2.238 6.885 0.286 1.00 0.45 N ATOM 1604 CA TRP A 173 -1.757 6.837 -1.087 1.00 0.46 C ATOM 1605 C TRP A 173 -0.630 7.833 -1.306 1.00 0.56 C ATOM 1606 O TRP A 173 -0.699 8.977 -0.852 1.00 0.69 O ATOM 1607 CB TRP A 173 -2.899 7.137 -2.064 1.00 0.48 C ATOM 1608 CG TRP A 173 -4.021 6.145 -2.008 1.00 0.46 C ATOM 1609 CD1 TRP A 173 -4.970 6.035 -1.033 1.00 0.54 C ATOM 1610 CD2 TRP A 173 -4.322 5.134 -2.976 1.00 0.48 C ATOM 1611 NE1 TRP A 173 -5.837 5.014 -1.332 1.00 0.60 N ATOM 1612 CE2 TRP A 173 -5.461 4.445 -2.520 1.00 0.55 C ATOM 1613 CE3 TRP A 173 -3.737 4.743 -4.184 1.00 0.54 C ATOM 1614 CZ2 TRP A 173 -6.028 3.389 -3.230 1.00 0.63 C ATOM 1615 CZ3 TRP A 173 -4.300 3.694 -4.886 1.00 0.62 C ATOM 1616 CH2 TRP A 173 -5.434 3.029 -4.408 1.00 0.64 C ATOM 0 H TRP A 173 -3.188 7.244 0.383 1.00 0.45 H new ATOM 0 HA TRP A 173 -1.377 5.832 -1.271 1.00 0.46 H new ATOM 0 HB2 TRP A 173 -3.294 8.130 -1.852 1.00 0.48 H new ATOM 0 HB3 TRP A 173 -2.500 7.163 -3.078 1.00 0.48 H new ATOM 0 HD1 TRP A 173 -5.030 6.660 -0.154 1.00 0.54 H new ATOM 0 HE1 TRP A 173 -6.632 4.726 -0.762 1.00 0.60 H new ATOM 0 HE3 TRP A 173 -2.862 5.251 -4.561 1.00 0.54 H new ATOM 0 HZ2 TRP A 173 -6.904 2.874 -2.864 1.00 0.63 H new ATOM 0 HZ3 TRP A 173 -3.857 3.382 -5.820 1.00 0.62 H new ATOM 0 HH2 TRP A 173 -5.849 2.214 -4.982 1.00 0.64 H new ATOM 1627 N LEU A 174 0.406 7.395 -2.003 1.00 0.53 N ATOM 1628 CA LEU A 174 1.513 8.266 -2.345 1.00 0.65 C ATOM 1629 C LEU A 174 1.937 8.049 -3.791 1.00 0.61 C ATOM 1630 O LEU A 174 1.529 7.077 -4.439 1.00 0.62 O ATOM 1631 CB LEU A 174 2.708 8.130 -1.363 1.00 0.72 C ATOM 1632 CG LEU A 174 3.417 6.761 -1.200 1.00 0.64 C ATOM 1633 CD1 LEU A 174 2.472 5.678 -0.705 1.00 0.53 C ATOM 1634 CD2 LEU A 174 4.115 6.325 -2.480 1.00 0.67 C ATOM 0 H LEU A 174 0.501 6.438 -2.343 1.00 0.53 H new ATOM 0 HA LEU A 174 1.162 9.293 -2.244 1.00 0.65 H new ATOM 0 HB2 LEU A 174 3.464 8.854 -1.668 1.00 0.72 H new ATOM 0 HB3 LEU A 174 2.355 8.433 -0.377 1.00 0.72 H new ATOM 0 HG LEU A 174 4.181 6.904 -0.436 1.00 0.64 H new ATOM 0 HD11 LEU A 174 3.015 4.738 -0.607 1.00 0.53 H new ATOM 0 HD12 LEU A 174 2.066 5.965 0.265 1.00 0.53 H new ATOM 0 HD13 LEU A 174 1.657 5.553 -1.418 1.00 0.53 H new ATOM 0 HD21 LEU A 174 4.598 5.361 -2.321 1.00 0.67 H new ATOM 0 HD22 LEU A 174 3.382 6.235 -3.282 1.00 0.67 H new ATOM 0 HD23 LEU A 174 4.865 7.066 -2.756 1.00 0.67 H new ATOM 1646 N ASP A 175 2.743 8.966 -4.291 1.00 0.76 N ATOM 1647 CA ASP A 175 3.178 8.937 -5.673 1.00 0.80 C ATOM 1648 C ASP A 175 4.687 9.115 -5.757 1.00 0.77 C ATOM 1649 O ASP A 175 5.379 9.131 -4.736 1.00 0.98 O ATOM 1650 CB ASP A 175 2.465 10.037 -6.472 1.00 1.07 C ATOM 1651 CG ASP A 175 2.860 11.442 -6.048 1.00 1.93 C ATOM 1652 OD1 ASP A 175 2.902 11.707 -4.831 1.00 2.79 O ATOM 1653 OD2 ASP A 175 3.134 12.290 -6.929 1.00 2.39 O ATOM 0 H ASP A 175 3.113 9.749 -3.752 1.00 0.76 H new ATOM 0 HA ASP A 175 2.920 7.969 -6.102 1.00 0.80 H new ATOM 0 HB2 ASP A 175 2.688 9.909 -7.531 1.00 1.07 H new ATOM 0 HB3 ASP A 175 1.388 9.920 -6.356 1.00 1.07 H new ATOM 1658 N HIS A 176 5.191 9.237 -6.975 1.00 0.76 N ATOM 1659 CA HIS A 176 6.619 9.416 -7.201 1.00 0.85 C ATOM 1660 C HIS A 176 7.010 10.876 -6.974 1.00 1.05 C ATOM 1661 O HIS A 176 6.307 11.612 -6.287 1.00 1.99 O ATOM 1662 CB HIS A 176 6.994 9.001 -8.622 1.00 0.87 C ATOM 1663 CG HIS A 176 6.644 7.581 -8.976 1.00 0.84 C ATOM 1664 ND1 HIS A 176 6.607 7.123 -10.274 1.00 1.07 N ATOM 1665 CD2 HIS A 176 6.341 6.512 -8.198 1.00 0.81 C ATOM 1666 CE1 HIS A 176 6.296 5.841 -10.281 1.00 1.03 C ATOM 1667 NE2 HIS A 176 6.129 5.444 -9.036 1.00 0.82 N ATOM 0 H HIS A 176 4.630 9.215 -7.827 1.00 0.76 H new ATOM 0 HA HIS A 176 7.158 8.785 -6.495 1.00 0.85 H new ATOM 0 HB2 HIS A 176 6.496 9.669 -9.324 1.00 0.87 H new ATOM 0 HB3 HIS A 176 8.067 9.140 -8.755 1.00 0.87 H new ATOM 0 HD2 HIS A 176 6.278 6.502 -7.120 1.00 0.81 H new ATOM 0 HE1 HIS A 176 6.195 5.221 -11.160 1.00 1.03 H new ATOM 0 HE2 HIS A 176 5.883 4.499 -8.742 1.00 0.82 H new ATOM 1676 N GLY A 177 8.144 11.289 -7.534 1.00 0.93 N ATOM 1677 CA GLY A 177 8.591 12.666 -7.383 1.00 0.94 C ATOM 1678 C GLY A 177 9.166 12.929 -6.009 1.00 0.95 C ATOM 1679 O GLY A 177 9.660 14.020 -5.725 1.00 1.16 O ATOM 0 H GLY A 177 8.762 10.697 -8.089 1.00 0.93 H new ATOM 0 HA2 GLY A 177 9.344 12.887 -8.139 1.00 0.94 H new ATOM 0 HA3 GLY A 177 7.753 13.340 -7.560 1.00 0.94 H new ATOM 1683 N ARG A 178 9.116 11.909 -5.172 1.00 0.81 N ATOM 1684 CA ARG A 178 9.563 11.990 -3.795 1.00 0.89 C ATOM 1685 C ARG A 178 9.846 10.585 -3.302 1.00 0.62 C ATOM 1686 O ARG A 178 9.758 9.633 -4.076 1.00 0.64 O ATOM 1687 CB ARG A 178 8.521 12.693 -2.917 1.00 1.22 C ATOM 1688 CG ARG A 178 7.106 12.173 -3.087 1.00 1.50 C ATOM 1689 CD ARG A 178 6.106 13.062 -2.366 1.00 1.27 C ATOM 1690 NE ARG A 178 4.725 12.724 -2.701 1.00 1.32 N ATOM 1691 CZ ARG A 178 3.672 13.104 -1.984 1.00 1.66 C ATOM 1692 NH1 ARG A 178 3.835 13.857 -0.903 1.00 2.09 N ATOM 1693 NH2 ARG A 178 2.456 12.746 -2.364 1.00 2.11 N ATOM 0 H ARG A 178 8.759 10.990 -5.433 1.00 0.81 H new ATOM 0 HA ARG A 178 10.474 12.586 -3.736 1.00 0.89 H new ATOM 0 HB2 ARG A 178 8.812 12.585 -1.872 1.00 1.22 H new ATOM 0 HB3 ARG A 178 8.533 13.759 -3.143 1.00 1.22 H new ATOM 0 HG2 ARG A 178 6.857 12.126 -4.147 1.00 1.50 H new ATOM 0 HG3 ARG A 178 7.040 11.157 -2.699 1.00 1.50 H new ATOM 0 HD2 ARG A 178 6.250 12.969 -1.290 1.00 1.27 H new ATOM 0 HD3 ARG A 178 6.296 14.104 -2.624 1.00 1.27 H new ATOM 0 HE ARG A 178 4.558 12.162 -3.536 1.00 1.32 H new ATOM 0 HH11 ARG A 178 4.771 14.146 -0.619 1.00 2.09 H new ATOM 0 HH12 ARG A 178 3.024 14.146 -0.356 1.00 2.09 H new ATOM 0 HH21 ARG A 178 2.330 12.181 -3.204 1.00 2.11 H new ATOM 0 HH22 ARG A 178 1.645 13.035 -1.817 1.00 2.11 H new ATOM 1707 N THR A 179 10.177 10.451 -2.035 1.00 0.57 N ATOM 1708 CA THR A 179 10.657 9.188 -1.509 1.00 0.61 C ATOM 1709 C THR A 179 9.699 8.610 -0.473 1.00 0.61 C ATOM 1710 O THR A 179 8.772 9.289 -0.035 1.00 0.56 O ATOM 1711 CB THR A 179 12.038 9.403 -0.886 1.00 0.83 C ATOM 1712 OG1 THR A 179 11.937 10.377 0.157 1.00 0.90 O ATOM 1713 CG2 THR A 179 13.015 9.892 -1.939 1.00 0.91 C ATOM 0 H THR A 179 10.123 11.203 -1.348 1.00 0.57 H new ATOM 0 HA THR A 179 10.721 8.472 -2.328 1.00 0.61 H new ATOM 0 HB THR A 179 12.399 8.458 -0.479 1.00 0.83 H new ATOM 0 HG1 THR A 179 12.824 10.752 0.342 1.00 0.90 H new ATOM 0 HG21 THR A 179 13.995 10.042 -1.485 1.00 0.91 H new ATOM 0 HG22 THR A 179 13.093 9.151 -2.735 1.00 0.91 H new ATOM 0 HG23 THR A 179 12.660 10.835 -2.355 1.00 0.91 H new ATOM 1721 N LEU A 180 9.925 7.363 -0.079 1.00 0.80 N ATOM 1722 CA LEU A 180 9.074 6.709 0.908 1.00 0.90 C ATOM 1723 C LEU A 180 9.340 7.275 2.296 1.00 0.91 C ATOM 1724 O LEU A 180 8.432 7.375 3.125 1.00 0.95 O ATOM 1725 CB LEU A 180 9.285 5.187 0.911 1.00 1.22 C ATOM 1726 CG LEU A 180 8.655 4.422 -0.261 1.00 1.41 C ATOM 1727 CD1 LEU A 180 7.204 4.831 -0.459 1.00 2.05 C ATOM 1728 CD2 LEU A 180 9.453 4.624 -1.535 1.00 2.08 C ATOM 0 H LEU A 180 10.690 6.784 -0.427 1.00 0.80 H new ATOM 0 HA LEU A 180 8.038 6.906 0.634 1.00 0.90 H new ATOM 0 HB2 LEU A 180 10.357 4.988 0.916 1.00 1.22 H new ATOM 0 HB3 LEU A 180 8.882 4.785 1.841 1.00 1.22 H new ATOM 0 HG LEU A 180 8.676 3.360 -0.017 1.00 1.41 H new ATOM 0 HD11 LEU A 180 6.780 4.275 -1.295 1.00 2.05 H new ATOM 0 HD12 LEU A 180 6.638 4.613 0.446 1.00 2.05 H new ATOM 0 HD13 LEU A 180 7.153 5.899 -0.670 1.00 2.05 H new ATOM 0 HD21 LEU A 180 8.985 4.071 -2.349 1.00 2.08 H new ATOM 0 HD22 LEU A 180 9.478 5.685 -1.784 1.00 2.08 H new ATOM 0 HD23 LEU A 180 10.470 4.261 -1.388 1.00 2.08 H new ATOM 1740 N ARG A 181 10.586 7.670 2.532 1.00 0.99 N ATOM 1741 CA ARG A 181 10.975 8.278 3.800 1.00 1.14 C ATOM 1742 C ARG A 181 10.243 9.604 4.012 1.00 1.04 C ATOM 1743 O ARG A 181 10.109 10.074 5.142 1.00 1.14 O ATOM 1744 CB ARG A 181 12.497 8.472 3.853 1.00 1.37 C ATOM 1745 CG ARG A 181 13.050 9.290 2.699 1.00 1.60 C ATOM 1746 CD ARG A 181 14.561 9.169 2.586 1.00 2.05 C ATOM 1747 NE ARG A 181 15.071 9.847 1.393 1.00 2.91 N ATOM 1748 CZ ARG A 181 15.846 9.265 0.474 1.00 3.63 C ATOM 1749 NH1 ARG A 181 16.225 8.001 0.620 1.00 3.63 N ATOM 1750 NH2 ARG A 181 16.244 9.947 -0.591 1.00 4.63 N ATOM 0 H ARG A 181 11.347 7.580 1.859 1.00 0.99 H new ATOM 0 HA ARG A 181 10.689 7.607 4.610 1.00 1.14 H new ATOM 0 HB2 ARG A 181 12.759 8.961 4.791 1.00 1.37 H new ATOM 0 HB3 ARG A 181 12.979 7.494 3.857 1.00 1.37 H new ATOM 0 HG2 ARG A 181 12.590 8.960 1.768 1.00 1.60 H new ATOM 0 HG3 ARG A 181 12.780 10.337 2.835 1.00 1.60 H new ATOM 0 HD2 ARG A 181 15.028 9.595 3.474 1.00 2.05 H new ATOM 0 HD3 ARG A 181 14.840 8.116 2.553 1.00 2.05 H new ATOM 0 HE ARG A 181 14.819 10.826 1.255 1.00 2.91 H new ATOM 0 HH11 ARG A 181 15.924 7.470 1.437 1.00 3.63 H new ATOM 0 HH12 ARG A 181 16.817 7.561 -0.085 1.00 3.63 H new ATOM 0 HH21 ARG A 181 15.958 10.919 -0.710 1.00 4.63 H new ATOM 0 HH22 ARG A 181 16.836 9.500 -1.291 1.00 4.63 H new ATOM 1764 N GLU A 182 9.757 10.194 2.920 1.00 0.93 N ATOM 1765 CA GLU A 182 8.913 11.382 3.000 1.00 0.98 C ATOM 1766 C GLU A 182 7.566 11.035 3.609 1.00 0.98 C ATOM 1767 O GLU A 182 7.081 11.710 4.520 1.00 1.16 O ATOM 1768 CB GLU A 182 8.661 11.976 1.616 1.00 0.96 C ATOM 1769 CG GLU A 182 9.867 12.604 0.969 1.00 1.17 C ATOM 1770 CD GLU A 182 10.585 13.568 1.889 1.00 1.52 C ATOM 1771 OE1 GLU A 182 9.988 14.600 2.259 1.00 1.91 O ATOM 1772 OE2 GLU A 182 11.746 13.296 2.258 1.00 1.94 O ATOM 0 H GLU A 182 9.934 9.867 1.970 1.00 0.93 H new ATOM 0 HA GLU A 182 9.439 12.107 3.621 1.00 0.98 H new ATOM 0 HB2 GLU A 182 8.283 11.190 0.962 1.00 0.96 H new ATOM 0 HB3 GLU A 182 7.876 12.728 1.696 1.00 0.96 H new ATOM 0 HG2 GLU A 182 10.558 11.820 0.659 1.00 1.17 H new ATOM 0 HG3 GLU A 182 9.558 13.131 0.066 1.00 1.17 H new ATOM 1779 N GLN A 183 6.972 9.968 3.095 1.00 0.90 N ATOM 1780 CA GLN A 183 5.624 9.587 3.475 1.00 1.02 C ATOM 1781 C GLN A 183 5.598 8.928 4.852 1.00 1.23 C ATOM 1782 O GLN A 183 4.528 8.672 5.409 1.00 1.48 O ATOM 1783 CB GLN A 183 5.012 8.641 2.439 1.00 1.06 C ATOM 1784 CG GLN A 183 4.434 9.341 1.218 1.00 1.27 C ATOM 1785 CD GLN A 183 5.466 10.102 0.408 1.00 1.41 C ATOM 1786 OE1 GLN A 183 5.708 11.284 0.642 1.00 2.02 O ATOM 1787 NE2 GLN A 183 6.073 9.431 -0.559 1.00 1.34 N ATOM 0 H GLN A 183 7.407 9.349 2.410 1.00 0.90 H new ATOM 0 HA GLN A 183 5.030 10.500 3.518 1.00 1.02 H new ATOM 0 HB2 GLN A 183 5.776 7.936 2.112 1.00 1.06 H new ATOM 0 HB3 GLN A 183 4.224 8.058 2.916 1.00 1.06 H new ATOM 0 HG2 GLN A 183 3.956 8.600 0.577 1.00 1.27 H new ATOM 0 HG3 GLN A 183 3.656 10.033 1.541 1.00 1.27 H new ATOM 0 HE21 GLN A 183 5.844 8.450 -0.721 1.00 1.34 H new ATOM 0 HE22 GLN A 183 6.770 9.895 -1.142 1.00 1.34 H new ATOM 1796 N GLY A 184 6.775 8.627 5.381 1.00 1.33 N ATOM 1797 CA GLY A 184 6.871 8.061 6.712 1.00 1.78 C ATOM 1798 C GLY A 184 6.831 6.549 6.708 1.00 1.49 C ATOM 1799 O GLY A 184 6.815 5.919 7.767 1.00 1.85 O ATOM 0 H GLY A 184 7.669 8.765 4.910 1.00 1.33 H new ATOM 0 HA2 GLY A 184 7.798 8.395 7.178 1.00 1.78 H new ATOM 0 HA3 GLY A 184 6.052 8.440 7.324 1.00 1.78 H new ATOM 1803 N VAL A 185 6.814 5.960 5.523 1.00 1.10 N ATOM 1804 CA VAL A 185 6.792 4.514 5.400 1.00 1.23 C ATOM 1805 C VAL A 185 8.221 3.965 5.432 1.00 1.12 C ATOM 1806 O VAL A 185 8.981 4.083 4.471 1.00 1.54 O ATOM 1807 CB VAL A 185 6.024 4.064 4.133 1.00 1.51 C ATOM 1808 CG1 VAL A 185 6.491 4.819 2.904 1.00 1.70 C ATOM 1809 CG2 VAL A 185 6.137 2.563 3.920 1.00 1.63 C ATOM 0 H VAL A 185 6.815 6.461 4.635 1.00 1.10 H new ATOM 0 HA VAL A 185 6.252 4.099 6.251 1.00 1.23 H new ATOM 0 HB VAL A 185 4.972 4.302 4.292 1.00 1.51 H new ATOM 0 HG11 VAL A 185 5.931 4.478 2.033 1.00 1.70 H new ATOM 0 HG12 VAL A 185 6.324 5.887 3.048 1.00 1.70 H new ATOM 0 HG13 VAL A 185 7.554 4.636 2.746 1.00 1.70 H new ATOM 0 HG21 VAL A 185 5.587 2.280 3.022 1.00 1.63 H new ATOM 0 HG22 VAL A 185 7.186 2.290 3.804 1.00 1.63 H new ATOM 0 HG23 VAL A 185 5.720 2.041 4.781 1.00 1.63 H new ATOM 1819 N GLU A 186 8.575 3.399 6.577 1.00 1.26 N ATOM 1820 CA GLU A 186 9.939 2.962 6.847 1.00 1.39 C ATOM 1821 C GLU A 186 10.266 1.633 6.168 1.00 1.49 C ATOM 1822 O GLU A 186 10.873 1.597 5.098 1.00 2.04 O ATOM 1823 CB GLU A 186 10.132 2.834 8.358 1.00 1.52 C ATOM 1824 CG GLU A 186 9.870 4.126 9.113 1.00 1.57 C ATOM 1825 CD GLU A 186 9.962 3.945 10.610 1.00 2.21 C ATOM 1826 OE1 GLU A 186 11.078 4.061 11.163 1.00 2.48 O ATOM 1827 OE2 GLU A 186 8.914 3.710 11.247 1.00 2.87 O ATOM 0 H GLU A 186 7.926 3.229 7.345 1.00 1.26 H new ATOM 0 HA GLU A 186 10.619 3.709 6.437 1.00 1.39 H new ATOM 0 HB2 GLU A 186 9.466 2.059 8.737 1.00 1.52 H new ATOM 0 HB3 GLU A 186 11.151 2.505 8.560 1.00 1.52 H new ATOM 0 HG2 GLU A 186 10.589 4.881 8.796 1.00 1.57 H new ATOM 0 HG3 GLU A 186 8.879 4.500 8.855 1.00 1.57 H new ATOM 1834 N GLU A 187 9.859 0.545 6.806 1.00 1.26 N ATOM 1835 CA GLU A 187 10.155 -0.802 6.322 1.00 1.33 C ATOM 1836 C GLU A 187 9.193 -1.804 6.949 1.00 1.35 C ATOM 1837 O GLU A 187 8.652 -2.676 6.274 1.00 1.49 O ATOM 1838 CB GLU A 187 11.606 -1.178 6.644 1.00 1.44 C ATOM 1839 CG GLU A 187 12.003 -0.893 8.084 1.00 1.45 C ATOM 1840 CD GLU A 187 13.396 -1.379 8.418 1.00 1.45 C ATOM 1841 OE1 GLU A 187 14.363 -0.625 8.170 1.00 1.53 O ATOM 1842 OE2 GLU A 187 13.531 -2.517 8.908 1.00 1.90 O ATOM 0 H GLU A 187 9.317 0.567 7.670 1.00 1.26 H new ATOM 0 HA GLU A 187 10.027 -0.823 5.240 1.00 1.33 H new ATOM 0 HB2 GLU A 187 11.752 -2.238 6.439 1.00 1.44 H new ATOM 0 HB3 GLU A 187 12.271 -0.630 5.977 1.00 1.44 H new ATOM 0 HG2 GLU A 187 11.945 0.180 8.266 1.00 1.45 H new ATOM 0 HG3 GLU A 187 11.287 -1.369 8.754 1.00 1.45 H new ATOM 1849 N HIS A 188 8.977 -1.658 8.252 1.00 1.31 N ATOM 1850 CA HIS A 188 7.987 -2.461 8.967 1.00 1.39 C ATOM 1851 C HIS A 188 6.575 -1.996 8.627 1.00 1.20 C ATOM 1852 O HIS A 188 5.593 -2.583 9.072 1.00 1.24 O ATOM 1853 CB HIS A 188 8.227 -2.404 10.485 1.00 1.61 C ATOM 1854 CG HIS A 188 8.546 -1.035 11.001 1.00 1.70 C ATOM 1855 ND1 HIS A 188 9.832 -0.627 11.277 1.00 1.87 N ATOM 1856 CD2 HIS A 188 7.751 0.030 11.262 1.00 1.78 C ATOM 1857 CE1 HIS A 188 9.817 0.627 11.679 1.00 2.02 C ATOM 1858 NE2 HIS A 188 8.569 1.051 11.680 1.00 1.98 N ATOM 0 H HIS A 188 9.476 -0.988 8.838 1.00 1.31 H new ATOM 0 HA HIS A 188 8.095 -3.498 8.647 1.00 1.39 H new ATOM 0 HB2 HIS A 188 7.340 -2.776 10.997 1.00 1.61 H new ATOM 0 HB3 HIS A 188 9.047 -3.076 10.738 1.00 1.61 H new ATOM 0 HD2 HIS A 188 6.676 0.069 11.161 1.00 1.78 H new ATOM 0 HE1 HIS A 188 10.682 1.210 11.960 1.00 2.02 H new ATOM 0 HE2 HIS A 188 8.261 1.986 11.948 1.00 1.98 H new ATOM 1867 N GLU A 189 6.488 -0.926 7.847 1.00 1.06 N ATOM 1868 CA GLU A 189 5.217 -0.469 7.309 1.00 0.92 C ATOM 1869 C GLU A 189 4.855 -1.331 6.105 1.00 0.81 C ATOM 1870 O GLU A 189 5.737 -1.920 5.476 1.00 1.08 O ATOM 1871 CB GLU A 189 5.308 0.996 6.875 1.00 0.90 C ATOM 1872 CG GLU A 189 5.807 1.945 7.954 1.00 1.26 C ATOM 1873 CD GLU A 189 4.855 2.068 9.122 1.00 2.13 C ATOM 1874 OE1 GLU A 189 3.751 2.626 8.937 1.00 2.47 O ATOM 1875 OE2 GLU A 189 5.219 1.627 10.229 1.00 2.73 O ATOM 0 H GLU A 189 7.289 -0.357 7.573 1.00 1.06 H new ATOM 0 HA GLU A 189 4.453 -0.554 8.081 1.00 0.92 H new ATOM 0 HB2 GLU A 189 5.971 1.066 6.013 1.00 0.90 H new ATOM 0 HB3 GLU A 189 4.323 1.326 6.546 1.00 0.90 H new ATOM 0 HG2 GLU A 189 6.774 1.597 8.316 1.00 1.26 H new ATOM 0 HG3 GLU A 189 5.966 2.931 7.517 1.00 1.26 H new ATOM 1882 N THR A 190 3.578 -1.403 5.776 1.00 0.56 N ATOM 1883 CA THR A 190 3.142 -2.207 4.650 1.00 0.44 C ATOM 1884 C THR A 190 2.897 -1.328 3.420 1.00 0.40 C ATOM 1885 O THR A 190 2.114 -0.381 3.465 1.00 0.47 O ATOM 1886 CB THR A 190 1.863 -2.995 4.996 1.00 0.36 C ATOM 1887 OG1 THR A 190 2.055 -3.735 6.211 1.00 0.45 O ATOM 1888 CG2 THR A 190 1.488 -3.952 3.872 1.00 0.36 C ATOM 0 H THR A 190 2.829 -0.917 6.269 1.00 0.56 H new ATOM 0 HA THR A 190 3.936 -2.918 4.422 1.00 0.44 H new ATOM 0 HB THR A 190 1.052 -2.279 5.127 1.00 0.36 H new ATOM 0 HG1 THR A 190 1.237 -4.231 6.424 1.00 0.45 H new ATOM 0 HG21 THR A 190 0.582 -4.495 4.143 1.00 0.36 H new ATOM 0 HG22 THR A 190 1.312 -3.387 2.957 1.00 0.36 H new ATOM 0 HG23 THR A 190 2.301 -4.660 3.711 1.00 0.36 H new ATOM 1896 N LEU A 191 3.584 -1.634 2.330 1.00 0.38 N ATOM 1897 CA LEU A 191 3.410 -0.896 1.089 1.00 0.36 C ATOM 1898 C LEU A 191 2.379 -1.608 0.221 1.00 0.32 C ATOM 1899 O LEU A 191 2.623 -2.699 -0.295 1.00 0.35 O ATOM 1900 CB LEU A 191 4.755 -0.752 0.347 1.00 0.43 C ATOM 1901 CG LEU A 191 4.815 0.306 -0.777 1.00 0.57 C ATOM 1902 CD1 LEU A 191 4.021 -0.126 -2.001 1.00 0.97 C ATOM 1903 CD2 LEU A 191 4.314 1.652 -0.267 1.00 0.90 C ATOM 0 H LEU A 191 4.268 -2.389 2.280 1.00 0.38 H new ATOM 0 HA LEU A 191 3.051 0.108 1.314 1.00 0.36 H new ATOM 0 HB2 LEU A 191 5.525 -0.514 1.081 1.00 0.43 H new ATOM 0 HB3 LEU A 191 5.013 -1.720 -0.082 1.00 0.43 H new ATOM 0 HG LEU A 191 5.857 0.406 -1.079 1.00 0.57 H new ATOM 0 HD11 LEU A 191 4.088 0.645 -2.769 1.00 0.97 H new ATOM 0 HD12 LEU A 191 4.428 -1.060 -2.388 1.00 0.97 H new ATOM 0 HD13 LEU A 191 2.977 -0.273 -1.724 1.00 0.97 H new ATOM 0 HD21 LEU A 191 4.363 2.387 -1.071 1.00 0.90 H new ATOM 0 HD22 LEU A 191 3.283 1.552 0.071 1.00 0.90 H new ATOM 0 HD23 LEU A 191 4.938 1.981 0.564 1.00 0.90 H new ATOM 1915 N LEU A 192 1.226 -0.988 0.081 1.00 0.31 N ATOM 1916 CA LEU A 192 0.151 -1.529 -0.729 1.00 0.32 C ATOM 1917 C LEU A 192 0.386 -1.137 -2.180 1.00 0.37 C ATOM 1918 O LEU A 192 0.337 0.045 -2.529 1.00 0.38 O ATOM 1919 CB LEU A 192 -1.193 -0.968 -0.243 1.00 0.39 C ATOM 1920 CG LEU A 192 -2.457 -1.787 -0.564 1.00 0.58 C ATOM 1921 CD1 LEU A 192 -2.667 -1.943 -2.060 1.00 1.10 C ATOM 1922 CD2 LEU A 192 -2.397 -3.143 0.107 1.00 1.34 C ATOM 0 H LEU A 192 1.006 -0.096 0.524 1.00 0.31 H new ATOM 0 HA LEU A 192 0.129 -2.615 -0.643 1.00 0.32 H new ATOM 0 HB2 LEU A 192 -1.136 -0.845 0.839 1.00 0.39 H new ATOM 0 HB3 LEU A 192 -1.318 0.027 -0.671 1.00 0.39 H new ATOM 0 HG LEU A 192 -3.311 -1.236 -0.170 1.00 0.58 H new ATOM 0 HD11 LEU A 192 -3.569 -2.527 -2.242 1.00 1.10 H new ATOM 0 HD12 LEU A 192 -2.773 -0.959 -2.517 1.00 1.10 H new ATOM 0 HD13 LEU A 192 -1.809 -2.455 -2.496 1.00 1.10 H new ATOM 0 HD21 LEU A 192 -3.299 -3.707 -0.131 1.00 1.34 H new ATOM 0 HD22 LEU A 192 -1.523 -3.688 -0.251 1.00 1.34 H new ATOM 0 HD23 LEU A 192 -2.326 -3.012 1.187 1.00 1.34 H new ATOM 1934 N LEU A 193 0.668 -2.113 -3.017 1.00 0.48 N ATOM 1935 CA LEU A 193 0.816 -1.859 -4.433 1.00 0.58 C ATOM 1936 C LEU A 193 -0.513 -2.147 -5.117 1.00 0.61 C ATOM 1937 O LEU A 193 -0.971 -3.290 -5.153 1.00 0.64 O ATOM 1938 CB LEU A 193 1.960 -2.714 -5.013 1.00 0.65 C ATOM 1939 CG LEU A 193 2.224 -2.587 -6.526 1.00 0.76 C ATOM 1940 CD1 LEU A 193 1.368 -3.566 -7.315 1.00 1.36 C ATOM 1941 CD2 LEU A 193 1.973 -1.166 -7.007 1.00 1.47 C ATOM 0 H LEU A 193 0.799 -3.086 -2.742 1.00 0.48 H new ATOM 0 HA LEU A 193 1.081 -0.816 -4.607 1.00 0.58 H new ATOM 0 HB2 LEU A 193 2.878 -2.456 -4.485 1.00 0.65 H new ATOM 0 HB3 LEU A 193 1.748 -3.760 -4.792 1.00 0.65 H new ATOM 0 HG LEU A 193 3.273 -2.830 -6.697 1.00 0.76 H new ATOM 0 HD11 LEU A 193 1.575 -3.454 -8.379 1.00 1.36 H new ATOM 0 HD12 LEU A 193 1.601 -4.585 -7.005 1.00 1.36 H new ATOM 0 HD13 LEU A 193 0.314 -3.361 -7.127 1.00 1.36 H new ATOM 0 HD21 LEU A 193 2.167 -1.105 -8.078 1.00 1.47 H new ATOM 0 HD22 LEU A 193 0.936 -0.893 -6.810 1.00 1.47 H new ATOM 0 HD23 LEU A 193 2.636 -0.481 -6.479 1.00 1.47 H new ATOM 1953 N ARG A 194 -1.146 -1.107 -5.630 1.00 0.67 N ATOM 1954 CA ARG A 194 -2.470 -1.245 -6.198 1.00 0.73 C ATOM 1955 C ARG A 194 -2.601 -0.451 -7.487 1.00 0.79 C ATOM 1956 O ARG A 194 -2.256 0.728 -7.537 1.00 0.92 O ATOM 1957 CB ARG A 194 -3.515 -0.767 -5.191 1.00 0.83 C ATOM 1958 CG ARG A 194 -4.945 -1.061 -5.612 1.00 0.96 C ATOM 1959 CD ARG A 194 -5.940 -0.650 -4.542 1.00 1.01 C ATOM 1960 NE ARG A 194 -7.308 -1.002 -4.916 1.00 1.54 N ATOM 1961 CZ ARG A 194 -8.396 -0.581 -4.274 1.00 2.04 C ATOM 1962 NH1 ARG A 194 -8.286 0.245 -3.237 1.00 2.27 N ATOM 1963 NH2 ARG A 194 -9.594 -0.982 -4.681 1.00 2.86 N ATOM 0 H ARG A 194 -0.764 -0.162 -5.664 1.00 0.67 H new ATOM 0 HA ARG A 194 -2.634 -2.298 -6.428 1.00 0.73 H new ATOM 0 HB2 ARG A 194 -3.324 -1.242 -4.229 1.00 0.83 H new ATOM 0 HB3 ARG A 194 -3.402 0.307 -5.045 1.00 0.83 H new ATOM 0 HG2 ARG A 194 -5.168 -0.532 -6.539 1.00 0.96 H new ATOM 0 HG3 ARG A 194 -5.052 -2.126 -5.819 1.00 0.96 H new ATOM 0 HD2 ARG A 194 -5.683 -1.135 -3.600 1.00 1.01 H new ATOM 0 HD3 ARG A 194 -5.873 0.425 -4.376 1.00 1.01 H new ATOM 0 HE ARG A 194 -7.438 -1.611 -5.723 1.00 1.54 H new ATOM 0 HH11 ARG A 194 -7.365 0.559 -2.930 1.00 2.27 H new ATOM 0 HH12 ARG A 194 -9.122 0.565 -2.749 1.00 2.27 H new ATOM 0 HH21 ARG A 194 -9.677 -1.609 -5.481 1.00 2.86 H new ATOM 0 HH22 ARG A 194 -10.431 -0.663 -4.194 1.00 2.86 H new ATOM 1977 N ARG A 195 -3.091 -1.099 -8.531 1.00 0.85 N ATOM 1978 CA ARG A 195 -3.393 -0.397 -9.764 1.00 0.94 C ATOM 1979 C ARG A 195 -4.582 0.524 -9.537 1.00 1.05 C ATOM 1980 O ARG A 195 -5.565 0.132 -8.906 1.00 1.43 O ATOM 1981 CB ARG A 195 -3.664 -1.374 -10.914 1.00 1.08 C ATOM 1982 CG ARG A 195 -4.772 -2.383 -10.649 1.00 1.07 C ATOM 1983 CD ARG A 195 -4.955 -3.304 -11.844 1.00 1.26 C ATOM 1984 NE ARG A 195 -5.953 -4.347 -11.613 1.00 1.14 N ATOM 1985 CZ ARG A 195 -6.086 -5.425 -12.387 1.00 1.41 C ATOM 1986 NH1 ARG A 195 -5.262 -5.618 -13.410 1.00 1.79 N ATOM 1987 NH2 ARG A 195 -7.033 -6.317 -12.128 1.00 2.01 N ATOM 0 H ARG A 195 -3.286 -2.100 -8.549 1.00 0.85 H new ATOM 0 HA ARG A 195 -2.527 0.199 -10.052 1.00 0.94 H new ATOM 0 HB2 ARG A 195 -3.919 -0.801 -11.806 1.00 1.08 H new ATOM 0 HB3 ARG A 195 -2.744 -1.916 -11.136 1.00 1.08 H new ATOM 0 HG2 ARG A 195 -4.531 -2.971 -9.763 1.00 1.07 H new ATOM 0 HG3 ARG A 195 -5.705 -1.860 -10.440 1.00 1.07 H new ATOM 0 HD2 ARG A 195 -5.250 -2.712 -12.710 1.00 1.26 H new ATOM 0 HD3 ARG A 195 -4.000 -3.770 -12.086 1.00 1.26 H new ATOM 0 HE ARG A 195 -6.582 -4.245 -10.816 1.00 1.14 H new ATOM 0 HH11 ARG A 195 -4.525 -4.941 -13.606 1.00 1.79 H new ATOM 0 HH12 ARG A 195 -5.366 -6.443 -14.000 1.00 1.79 H new ATOM 0 HH21 ARG A 195 -7.661 -6.179 -11.336 1.00 2.01 H new ATOM 0 HH22 ARG A 195 -7.133 -7.141 -12.721 1.00 2.01 H new ATOM 2001 N LYS A 196 -4.477 1.752 -10.013 1.00 1.10 N ATOM 2002 CA LYS A 196 -5.527 2.720 -9.803 1.00 1.22 C ATOM 2003 C LYS A 196 -6.680 2.415 -10.735 1.00 1.40 C ATOM 2004 O LYS A 196 -6.627 2.696 -11.930 1.00 2.26 O ATOM 2005 CB LYS A 196 -5.027 4.147 -10.014 1.00 1.40 C ATOM 2006 CG LYS A 196 -5.914 5.186 -9.350 1.00 1.16 C ATOM 2007 CD LYS A 196 -5.958 4.977 -7.842 1.00 1.16 C ATOM 2008 CE LYS A 196 -6.755 6.063 -7.136 1.00 1.32 C ATOM 2009 NZ LYS A 196 -6.112 7.400 -7.246 1.00 1.72 N ATOM 0 H LYS A 196 -3.678 2.097 -10.544 1.00 1.10 H new ATOM 0 HA LYS A 196 -5.864 2.648 -8.769 1.00 1.22 H new ATOM 0 HB2 LYS A 196 -4.015 4.234 -9.619 1.00 1.40 H new ATOM 0 HB3 LYS A 196 -4.971 4.353 -11.083 1.00 1.40 H new ATOM 0 HG2 LYS A 196 -5.540 6.185 -9.572 1.00 1.16 H new ATOM 0 HG3 LYS A 196 -6.922 5.125 -9.760 1.00 1.16 H new ATOM 0 HD2 LYS A 196 -6.400 4.005 -7.624 1.00 1.16 H new ATOM 0 HD3 LYS A 196 -4.941 4.961 -7.449 1.00 1.16 H new ATOM 0 HE2 LYS A 196 -7.758 6.109 -7.561 1.00 1.32 H new ATOM 0 HE3 LYS A 196 -6.867 5.802 -6.084 1.00 1.32 H new ATOM 0 HZ1 LYS A 196 -6.584 8.066 -6.601 1.00 1.72 H new ATOM 0 HZ2 LYS A 196 -5.107 7.324 -6.990 1.00 1.72 H new ATOM 0 HZ3 LYS A 196 -6.196 7.746 -8.223 1.00 1.72 H new