USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 637 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 8 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 68 TYR OH : rot 100:sc= 1.03 USER MOD Single : A 11 TYR OH : rot 33:sc= 0.477 USER MOD Single : A 12 TYR OH : rot 63:sc= 0.572 USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 16 THR OG1 : rot 99:sc= -0.0237 USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= -2.85 (180deg=-4.93!) USER MOD Single : A 23 HIS : no HE2:sc= 0.478 K(o=0.48,f=-1.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= 0.875 (180deg=0.197!) USER MOD Single : A 35 TYR OH : rot 67:sc= 0.44 USER MOD Single : A 37 TYR OH : rot 30:sc= -1.81! USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= 0.152 (180deg=-0.182) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 1.42 (180deg=1.03) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 41:sc= 0.561 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.029 X(o=-0.029,f=-0.45) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0982) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0813) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0.909 (180deg=0.898) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.08 (180deg=-0.414) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 8 7.529 -4.939 -10.957 1.00 71.41 N ATOM 114 CA LYS A 8 7.198 -3.505 -10.844 1.00 14.30 C ATOM 115 C LYS A 8 5.901 -3.276 -10.046 1.00 63.21 C ATOM 116 O LYS A 8 4.824 -3.093 -10.619 1.00 52.52 O ATOM 117 CB LYS A 8 7.097 -2.844 -12.230 1.00 5.31 C ATOM 118 CG LYS A 8 8.383 -2.914 -13.054 1.00 24.24 C ATOM 119 CD LYS A 8 9.565 -2.292 -12.317 1.00 64.12 C ATOM 120 CE LYS A 8 10.795 -2.159 -13.205 1.00 12.11 C ATOM 121 NZ LYS A 8 11.940 -1.561 -12.468 1.00 64.23 N ATOM 0 HA LYS A 8 8.015 -3.035 -10.296 1.00 14.30 H new ATOM 0 HB2 LYS A 8 6.294 -3.322 -12.790 1.00 5.31 H new ATOM 0 HB3 LYS A 8 6.818 -1.798 -12.102 1.00 5.31 H new ATOM 0 HG2 LYS A 8 8.608 -3.954 -13.288 1.00 24.24 H new ATOM 0 HG3 LYS A 8 8.235 -2.399 -14.003 1.00 24.24 H new ATOM 0 HD2 LYS A 8 9.281 -1.308 -11.944 1.00 64.12 H new ATOM 0 HD3 LYS A 8 9.811 -2.903 -11.449 1.00 64.12 H new ATOM 0 HE2 LYS A 8 11.079 -3.141 -13.584 1.00 12.11 H new ATOM 0 HE3 LYS A 8 10.555 -1.540 -14.070 1.00 12.11 H new ATOM 0 HZ1 LYS A 8 12.482 -0.947 -13.108 1.00 64.23 H new ATOM 0 HZ2 LYS A 8 11.583 -0.999 -11.669 1.00 64.23 H new ATOM 0 HZ3 LYS A 8 12.556 -2.319 -12.110 1.00 64.23 H new ATOM 135 N ASP A 9 6.018 -3.293 -8.722 1.00 10.24 N ATOM 136 CA ASP A 9 4.862 -3.155 -7.834 1.00 23.31 C ATOM 137 C ASP A 9 4.260 -1.741 -7.875 1.00 44.40 C ATOM 138 O ASP A 9 4.769 -0.829 -7.227 1.00 24.32 O ATOM 139 CB ASP A 9 5.278 -3.481 -6.396 1.00 5.33 C ATOM 140 CG ASP A 9 5.708 -4.924 -6.218 1.00 55.13 C ATOM 141 OD1 ASP A 9 6.817 -5.277 -6.662 1.00 51.44 O ATOM 142 OD2 ASP A 9 4.943 -5.707 -5.614 1.00 64.23 O ATOM 0 H ASP A 9 6.907 -3.402 -8.235 1.00 10.24 H new ATOM 0 HA ASP A 9 4.100 -3.852 -8.182 1.00 23.31 H new ATOM 0 HB2 ASP A 9 6.097 -2.824 -6.103 1.00 5.33 H new ATOM 0 HB3 ASP A 9 4.445 -3.270 -5.726 1.00 5.33 H new ATOM 147 N GLU A 10 3.187 -1.557 -8.638 1.00 43.41 N ATOM 148 CA GLU A 10 2.434 -0.298 -8.601 1.00 23.00 C ATOM 149 C GLU A 10 1.123 -0.486 -7.823 1.00 71.40 C ATOM 150 O GLU A 10 0.178 -1.128 -8.295 1.00 61.53 O ATOM 151 CB GLU A 10 2.164 0.257 -10.016 1.00 52.05 C ATOM 152 CG GLU A 10 1.405 -0.681 -10.952 1.00 14.02 C ATOM 153 CD GLU A 10 0.981 0.015 -12.240 1.00 53.44 C ATOM 154 OE1 GLU A 10 1.839 0.204 -13.132 1.00 72.54 O ATOM 155 OE2 GLU A 10 -0.200 0.398 -12.357 1.00 60.33 O ATOM 0 H GLU A 10 2.818 -2.254 -9.285 1.00 43.41 H new ATOM 0 HA GLU A 10 3.047 0.440 -8.083 1.00 23.00 H new ATOM 0 HB2 GLU A 10 1.600 1.185 -9.923 1.00 52.05 H new ATOM 0 HB3 GLU A 10 3.119 0.509 -10.477 1.00 52.05 H new ATOM 0 HG2 GLU A 10 2.033 -1.538 -11.193 1.00 14.02 H new ATOM 0 HG3 GLU A 10 0.523 -1.066 -10.441 1.00 14.02 H new ATOM 162 N TYR A 11 1.074 0.072 -6.617 1.00 34.33 N ATOM 163 CA TYR A 11 -0.076 -0.110 -5.729 1.00 53.43 C ATOM 164 C TYR A 11 -1.103 1.016 -5.914 1.00 61.23 C ATOM 165 O TYR A 11 -0.774 2.199 -5.792 1.00 12.34 O ATOM 166 CB TYR A 11 0.388 -0.162 -4.262 1.00 50.13 C ATOM 167 CG TYR A 11 1.401 -1.256 -3.962 1.00 34.51 C ATOM 168 CD1 TYR A 11 1.426 -2.436 -4.693 1.00 20.11 C ATOM 169 CD2 TYR A 11 2.326 -1.110 -2.936 1.00 2.41 C ATOM 170 CE1 TYR A 11 2.339 -3.435 -4.412 1.00 62.41 C ATOM 171 CE2 TYR A 11 3.244 -2.103 -2.649 1.00 70.51 C ATOM 172 CZ TYR A 11 3.246 -3.264 -3.391 1.00 31.50 C ATOM 173 OH TYR A 11 4.160 -4.259 -3.109 1.00 51.22 O ATOM 0 H TYR A 11 1.816 0.655 -6.230 1.00 34.33 H new ATOM 0 HA TYR A 11 -0.555 -1.054 -5.988 1.00 53.43 H new ATOM 0 HB2 TYR A 11 0.823 0.802 -3.997 1.00 50.13 H new ATOM 0 HB3 TYR A 11 -0.483 -0.305 -3.623 1.00 50.13 H new ATOM 0 HD1 TYR A 11 0.718 -2.576 -5.497 1.00 20.11 H new ATOM 0 HD2 TYR A 11 2.328 -0.202 -2.351 1.00 2.41 H new ATOM 0 HE1 TYR A 11 2.341 -4.346 -4.991 1.00 62.41 H new ATOM 0 HE2 TYR A 11 3.956 -1.969 -1.848 1.00 70.51 H new ATOM 0 HH TYR A 11 4.405 -4.723 -3.937 1.00 51.22 H new ATOM 183 N TYR A 12 -2.344 0.642 -6.217 1.00 55.31 N ATOM 184 CA TYR A 12 -3.423 1.619 -6.385 1.00 1.12 C ATOM 185 C TYR A 12 -3.940 2.093 -5.020 1.00 15.22 C ATOM 186 O TYR A 12 -4.729 1.413 -4.368 1.00 34.04 O ATOM 187 CB TYR A 12 -4.567 1.014 -7.213 1.00 12.25 C ATOM 188 CG TYR A 12 -4.116 0.487 -8.566 1.00 35.42 C ATOM 189 CD1 TYR A 12 -3.886 1.354 -9.630 1.00 64.00 C ATOM 190 CD2 TYR A 12 -3.901 -0.874 -8.775 1.00 22.34 C ATOM 191 CE1 TYR A 12 -3.462 0.884 -10.857 1.00 21.20 C ATOM 192 CE2 TYR A 12 -3.474 -1.349 -10.001 1.00 64.34 C ATOM 193 CZ TYR A 12 -3.257 -0.466 -11.038 1.00 21.20 C ATOM 194 OH TYR A 12 -2.824 -0.934 -12.257 1.00 1.10 O ATOM 0 H TYR A 12 -2.629 -0.328 -6.351 1.00 55.31 H new ATOM 0 HA TYR A 12 -3.027 2.482 -6.919 1.00 1.12 H new ATOM 0 HB2 TYR A 12 -5.025 0.202 -6.649 1.00 12.25 H new ATOM 0 HB3 TYR A 12 -5.337 1.771 -7.364 1.00 12.25 H new ATOM 0 HD1 TYR A 12 -4.042 2.414 -9.493 1.00 64.00 H new ATOM 0 HD2 TYR A 12 -4.071 -1.569 -7.966 1.00 22.34 H new ATOM 0 HE1 TYR A 12 -3.292 1.572 -11.672 1.00 21.20 H new ATOM 0 HE2 TYR A 12 -3.311 -2.407 -10.146 1.00 64.34 H new ATOM 0 HH TYR A 12 -1.934 -0.571 -12.449 1.00 1.10 H new ATOM 204 N VAL A 13 -3.472 3.262 -4.596 1.00 71.24 N ATOM 205 CA VAL A 13 -3.842 3.830 -3.293 1.00 64.54 C ATOM 206 C VAL A 13 -4.711 5.084 -3.454 1.00 71.23 C ATOM 207 O VAL A 13 -4.943 5.540 -4.566 1.00 23.24 O ATOM 208 CB VAL A 13 -2.579 4.203 -2.478 1.00 31.45 C ATOM 209 CG1 VAL A 13 -1.707 2.972 -2.247 1.00 22.03 C ATOM 210 CG2 VAL A 13 -1.789 5.307 -3.182 1.00 31.10 C ATOM 0 H VAL A 13 -2.831 3.843 -5.136 1.00 71.24 H new ATOM 0 HA VAL A 13 -4.412 3.066 -2.763 1.00 64.54 H new ATOM 0 HB VAL A 13 -2.896 4.582 -1.506 1.00 31.45 H new ATOM 0 HG11 VAL A 13 -0.824 3.254 -1.673 1.00 22.03 H new ATOM 0 HG12 VAL A 13 -2.275 2.222 -1.696 1.00 22.03 H new ATOM 0 HG13 VAL A 13 -1.398 2.559 -3.207 1.00 22.03 H new ATOM 0 HG21 VAL A 13 -0.906 5.554 -2.593 1.00 31.10 H new ATOM 0 HG22 VAL A 13 -1.482 4.962 -4.169 1.00 31.10 H new ATOM 0 HG23 VAL A 13 -2.415 6.193 -3.286 1.00 31.10 H new ATOM 220 N GLN A 14 -5.179 5.644 -2.341 1.00 34.50 N ATOM 221 CA GLN A 14 -5.945 6.896 -2.373 1.00 12.25 C ATOM 222 C GLN A 14 -5.461 7.863 -1.280 1.00 74.33 C ATOM 223 O GLN A 14 -5.118 7.441 -0.172 1.00 55.24 O ATOM 224 CB GLN A 14 -7.449 6.623 -2.219 1.00 50.51 C ATOM 225 CG GLN A 14 -7.839 5.967 -0.898 1.00 15.41 C ATOM 226 CD GLN A 14 -9.336 5.714 -0.781 1.00 2.21 C ATOM 227 OE1 GLN A 14 -10.140 6.553 -1.409 1.00 22.25 O flip ATOM 228 NE2 GLN A 14 -9.769 4.772 -0.122 1.00 13.20 N flip ATOM 0 H GLN A 14 -5.044 5.256 -1.407 1.00 34.50 H new ATOM 0 HA GLN A 14 -5.779 7.364 -3.343 1.00 12.25 H new ATOM 0 HB2 GLN A 14 -7.989 7.565 -2.316 1.00 50.51 H new ATOM 0 HB3 GLN A 14 -7.775 5.983 -3.039 1.00 50.51 H new ATOM 0 HG2 GLN A 14 -7.307 5.021 -0.797 1.00 15.41 H new ATOM 0 HG3 GLN A 14 -7.518 6.603 -0.073 1.00 15.41 H new ATOM 0 HE21 GLN A 14 -9.122 4.141 0.352 1.00 13.20 H new ATOM 0 HE22 GLN A 14 -10.775 4.621 -0.049 1.00 13.20 H new ATOM 237 N ILE A 15 -5.437 9.155 -1.598 1.00 20.42 N ATOM 238 CA ILE A 15 -4.917 10.171 -0.671 1.00 22.33 C ATOM 239 C ILE A 15 -5.888 10.461 0.485 1.00 61.51 C ATOM 240 O ILE A 15 -6.861 11.199 0.327 1.00 53.03 O ATOM 241 CB ILE A 15 -4.599 11.496 -1.415 1.00 35.25 C ATOM 242 CG1 ILE A 15 -3.507 11.264 -2.470 1.00 73.33 C ATOM 243 CG2 ILE A 15 -4.174 12.596 -0.431 1.00 71.14 C ATOM 244 CD1 ILE A 15 -2.167 10.859 -1.885 1.00 32.03 C ATOM 0 H ILE A 15 -5.770 9.528 -2.487 1.00 20.42 H new ATOM 0 HA ILE A 15 -4.000 9.758 -0.251 1.00 22.33 H new ATOM 0 HB ILE A 15 -5.507 11.830 -1.917 1.00 35.25 H new ATOM 0 HG12 ILE A 15 -3.841 10.489 -3.160 1.00 73.33 H new ATOM 0 HG13 ILE A 15 -3.378 12.176 -3.053 1.00 73.33 H new ATOM 0 HG21 ILE A 15 -3.958 13.512 -0.981 1.00 71.14 H new ATOM 0 HG22 ILE A 15 -4.980 12.781 0.279 1.00 71.14 H new ATOM 0 HG23 ILE A 15 -3.282 12.277 0.108 1.00 71.14 H new ATOM 0 HD11 ILE A 15 -1.447 10.713 -2.691 1.00 32.03 H new ATOM 0 HD12 ILE A 15 -1.810 11.643 -1.217 1.00 32.03 H new ATOM 0 HD13 ILE A 15 -2.280 9.930 -1.327 1.00 32.03 H new ATOM 256 N THR A 16 -5.620 9.867 1.647 1.00 53.02 N ATOM 257 CA THR A 16 -6.393 10.159 2.861 1.00 74.45 C ATOM 258 C THR A 16 -5.851 11.414 3.562 1.00 15.02 C ATOM 259 O THR A 16 -6.538 12.433 3.656 1.00 53.12 O ATOM 260 CB THR A 16 -6.369 8.973 3.856 1.00 23.12 C ATOM 261 OG1 THR A 16 -5.016 8.669 4.236 1.00 63.52 O ATOM 262 CG2 THR A 16 -7.019 7.736 3.243 1.00 71.43 C ATOM 0 H THR A 16 -4.876 9.182 1.777 1.00 53.02 H new ATOM 0 HA THR A 16 -7.423 10.329 2.548 1.00 74.45 H new ATOM 0 HB THR A 16 -6.936 9.263 4.741 1.00 23.12 H new ATOM 0 HG1 THR A 16 -4.820 9.079 5.104 1.00 63.52 H new ATOM 0 HG21 THR A 16 -6.990 6.916 3.961 1.00 71.43 H new ATOM 0 HG22 THR A 16 -8.055 7.958 2.987 1.00 71.43 H new ATOM 0 HG23 THR A 16 -6.477 7.449 2.342 1.00 71.43 H new ATOM 270 N VAL A 17 -4.617 11.332 4.052 1.00 22.01 N ATOM 271 CA VAL A 17 -3.945 12.481 4.674 1.00 2.44 C ATOM 272 C VAL A 17 -2.962 13.155 3.697 1.00 35.11 C ATOM 273 O VAL A 17 -2.126 12.494 3.082 1.00 32.24 O ATOM 274 CB VAL A 17 -3.194 12.064 5.968 1.00 72.12 C ATOM 275 CG1 VAL A 17 -4.181 11.562 7.022 1.00 13.13 C ATOM 276 CG2 VAL A 17 -2.134 11.000 5.674 1.00 12.34 C ATOM 0 H VAL A 17 -4.056 10.480 4.032 1.00 22.01 H new ATOM 0 HA VAL A 17 -4.722 13.199 4.936 1.00 2.44 H new ATOM 0 HB VAL A 17 -2.685 12.945 6.360 1.00 72.12 H new ATOM 0 HG11 VAL A 17 -3.637 11.274 7.922 1.00 13.13 H new ATOM 0 HG12 VAL A 17 -4.889 12.354 7.264 1.00 13.13 H new ATOM 0 HG13 VAL A 17 -4.721 10.699 6.633 1.00 13.13 H new ATOM 0 HG21 VAL A 17 -1.625 10.728 6.599 1.00 12.34 H new ATOM 0 HG22 VAL A 17 -2.612 10.117 5.250 1.00 12.34 H new ATOM 0 HG23 VAL A 17 -1.408 11.396 4.963 1.00 12.34 H new ATOM 286 N ASP A 18 -3.075 14.473 3.548 1.00 53.22 N ATOM 287 CA ASP A 18 -2.211 15.225 2.631 1.00 34.11 C ATOM 288 C ASP A 18 -1.605 16.461 3.315 1.00 53.23 C ATOM 289 O ASP A 18 -2.022 16.853 4.405 1.00 73.43 O ATOM 290 CB ASP A 18 -3.016 15.661 1.397 1.00 1.21 C ATOM 291 CG ASP A 18 -4.042 16.733 1.728 1.00 42.34 C ATOM 292 OD1 ASP A 18 -5.023 16.427 2.437 1.00 63.51 O ATOM 293 OD2 ASP A 18 -3.854 17.895 1.307 1.00 25.15 O ATOM 0 H ASP A 18 -3.755 15.045 4.049 1.00 53.22 H new ATOM 0 HA ASP A 18 -1.394 14.571 2.328 1.00 34.11 H new ATOM 0 HB2 ASP A 18 -2.334 16.037 0.635 1.00 1.21 H new ATOM 0 HB3 ASP A 18 -3.523 14.795 0.972 1.00 1.21 H new ATOM 298 N GLY A 19 -0.617 17.070 2.663 1.00 75.05 N ATOM 299 CA GLY A 19 -0.084 18.350 3.125 1.00 33.03 C ATOM 300 C GLY A 19 0.746 18.287 4.407 1.00 11.44 C ATOM 301 O GLY A 19 1.102 19.328 4.961 1.00 12.14 O ATOM 0 H GLY A 19 -0.173 16.703 1.821 1.00 75.05 H new ATOM 0 HA2 GLY A 19 0.532 18.775 2.333 1.00 33.03 H new ATOM 0 HA3 GLY A 19 -0.916 19.035 3.284 1.00 33.03 H new ATOM 305 N LYS A 20 1.059 17.088 4.887 1.00 44.32 N ATOM 306 CA LYS A 20 1.868 16.943 6.103 1.00 21.34 C ATOM 307 C LYS A 20 3.321 17.387 5.849 1.00 31.51 C ATOM 308 O LYS A 20 4.158 16.599 5.420 1.00 64.42 O ATOM 309 CB LYS A 20 1.832 15.488 6.600 1.00 0.35 C ATOM 310 CG LYS A 20 0.419 14.968 6.854 1.00 24.33 C ATOM 311 CD LYS A 20 0.395 13.523 7.367 1.00 70.22 C ATOM 312 CE LYS A 20 0.900 13.387 8.804 1.00 43.12 C ATOM 313 NZ LYS A 20 2.377 13.503 8.906 1.00 54.03 N ATOM 0 H LYS A 20 0.770 16.207 4.461 1.00 44.32 H new ATOM 0 HA LYS A 20 1.444 17.586 6.874 1.00 21.34 H new ATOM 0 HB2 LYS A 20 2.320 14.849 5.864 1.00 0.35 H new ATOM 0 HB3 LYS A 20 2.410 15.412 7.521 1.00 0.35 H new ATOM 0 HG2 LYS A 20 -0.075 15.614 7.580 1.00 24.33 H new ATOM 0 HG3 LYS A 20 -0.156 15.029 5.930 1.00 24.33 H new ATOM 0 HD2 LYS A 20 -0.624 13.140 7.309 1.00 70.22 H new ATOM 0 HD3 LYS A 20 1.007 12.902 6.713 1.00 70.22 H new ATOM 0 HE2 LYS A 20 0.436 14.155 9.422 1.00 43.12 H new ATOM 0 HE3 LYS A 20 0.587 12.423 9.205 1.00 43.12 H new ATOM 0 HZ1 LYS A 20 2.767 12.628 9.310 1.00 54.03 H new ATOM 0 HZ2 LYS A 20 2.779 13.657 7.959 1.00 54.03 H new ATOM 0 HZ3 LYS A 20 2.621 14.306 9.520 1.00 54.03 H new ATOM 327 N GLU A 21 3.606 18.667 6.094 1.00 35.54 N ATOM 328 CA GLU A 21 4.923 19.242 5.779 1.00 64.51 C ATOM 329 C GLU A 21 6.026 18.719 6.711 1.00 72.44 C ATOM 330 O GLU A 21 6.036 19.007 7.909 1.00 33.22 O ATOM 331 CB GLU A 21 4.872 20.776 5.844 1.00 32.30 C ATOM 332 CG GLU A 21 3.894 21.405 4.861 1.00 23.10 C ATOM 333 CD GLU A 21 3.970 22.923 4.850 1.00 4.14 C ATOM 334 OE1 GLU A 21 3.615 23.544 5.876 1.00 32.34 O ATOM 335 OE2 GLU A 21 4.398 23.503 3.827 1.00 42.51 O ATOM 0 H GLU A 21 2.948 19.327 6.508 1.00 35.54 H new ATOM 0 HA GLU A 21 5.170 18.928 4.765 1.00 64.51 H new ATOM 0 HB2 GLU A 21 4.599 21.078 6.855 1.00 32.30 H new ATOM 0 HB3 GLU A 21 5.869 21.171 5.651 1.00 32.30 H new ATOM 0 HG2 GLU A 21 4.099 21.028 3.859 1.00 23.10 H new ATOM 0 HG3 GLU A 21 2.880 21.098 5.116 1.00 23.10 H new ATOM 342 N VAL A 22 6.963 17.963 6.143 1.00 2.24 N ATOM 343 CA VAL A 22 8.108 17.438 6.890 1.00 65.13 C ATOM 344 C VAL A 22 9.342 18.342 6.721 1.00 75.32 C ATOM 345 O VAL A 22 10.185 18.134 5.845 1.00 64.40 O ATOM 346 CB VAL A 22 8.453 15.982 6.472 1.00 41.34 C ATOM 347 CG1 VAL A 22 7.390 15.012 6.983 1.00 44.41 C ATOM 348 CG2 VAL A 22 8.596 15.861 4.955 1.00 41.04 C ATOM 0 H VAL A 22 6.952 17.697 5.158 1.00 2.24 H new ATOM 0 HA VAL A 22 7.822 17.428 7.942 1.00 65.13 H new ATOM 0 HB VAL A 22 9.411 15.723 6.924 1.00 41.34 H new ATOM 0 HG11 VAL A 22 7.648 13.997 6.681 1.00 44.41 H new ATOM 0 HG12 VAL A 22 7.341 15.065 8.071 1.00 44.41 H new ATOM 0 HG13 VAL A 22 6.421 15.280 6.563 1.00 44.41 H new ATOM 0 HG21 VAL A 22 8.838 14.831 4.693 1.00 41.04 H new ATOM 0 HG22 VAL A 22 7.659 16.147 4.477 1.00 41.04 H new ATOM 0 HG23 VAL A 22 9.394 16.519 4.611 1.00 41.04 H new ATOM 358 N HIS A 23 9.421 19.369 7.555 1.00 12.42 N ATOM 359 CA HIS A 23 10.539 20.314 7.526 1.00 34.32 C ATOM 360 C HIS A 23 11.840 19.664 8.030 1.00 10.23 C ATOM 361 O HIS A 23 12.190 19.776 9.205 1.00 22.33 O ATOM 362 CB HIS A 23 10.191 21.555 8.362 1.00 23.12 C ATOM 363 CG HIS A 23 11.262 22.599 8.376 1.00 22.11 C ATOM 364 ND1 HIS A 23 11.724 23.212 7.232 1.00 64.24 N ATOM 365 CD2 HIS A 23 11.964 23.143 9.400 1.00 12.41 C ATOM 366 CE1 HIS A 23 12.660 24.081 7.547 1.00 13.01 C ATOM 367 NE2 HIS A 23 12.824 24.061 8.851 1.00 41.13 N ATOM 0 H HIS A 23 8.720 19.574 8.267 1.00 12.42 H new ATOM 0 HA HIS A 23 10.707 20.615 6.492 1.00 34.32 H new ATOM 0 HB2 HIS A 23 9.273 21.996 7.974 1.00 23.12 H new ATOM 0 HB3 HIS A 23 9.987 21.245 9.387 1.00 23.12 H new ATOM 0 HD1 HIS A 23 11.392 23.021 6.287 1.00 64.24 H new ATOM 0 HD2 HIS A 23 11.865 22.900 10.448 1.00 12.41 H new ATOM 0 HE1 HIS A 23 13.202 24.705 6.852 1.00 13.01 H new ATOM 491 N TYR A 32 13.181 25.349 3.666 1.00 13.32 N ATOM 492 CA TYR A 32 11.927 24.999 2.982 1.00 24.24 C ATOM 493 C TYR A 32 11.389 23.645 3.475 1.00 5.12 C ATOM 494 O TYR A 32 11.983 23.009 4.352 1.00 1.55 O ATOM 495 CB TYR A 32 12.098 25.009 1.451 1.00 2.02 C ATOM 496 CG TYR A 32 13.092 24.003 0.894 1.00 61.14 C ATOM 497 CD1 TYR A 32 12.689 22.723 0.520 1.00 22.31 C ATOM 498 CD2 TYR A 32 14.429 24.344 0.716 1.00 54.41 C ATOM 499 CE1 TYR A 32 13.587 21.818 -0.011 1.00 21.04 C ATOM 500 CE2 TYR A 32 15.332 23.441 0.189 1.00 63.15 C ATOM 501 CZ TYR A 32 14.906 22.181 -0.174 1.00 72.15 C ATOM 502 OH TYR A 32 15.803 21.285 -0.709 1.00 23.21 O ATOM 0 HA TYR A 32 11.190 25.762 3.232 1.00 24.24 H new ATOM 0 HB2 TYR A 32 11.126 24.824 0.994 1.00 2.02 H new ATOM 0 HB3 TYR A 32 12.409 26.008 1.145 1.00 2.02 H new ATOM 0 HD1 TYR A 32 11.656 22.433 0.648 1.00 22.31 H new ATOM 0 HD2 TYR A 32 14.767 25.331 0.995 1.00 54.41 H new ATOM 0 HE1 TYR A 32 13.257 20.830 -0.297 1.00 21.04 H new ATOM 0 HE2 TYR A 32 16.367 23.721 0.062 1.00 63.15 H new ATOM 0 HH TYR A 32 16.690 21.699 -0.757 1.00 23.21 H new ATOM 512 N LYS A 33 10.253 23.212 2.929 1.00 23.45 N ATOM 513 CA LYS A 33 9.568 22.005 3.416 1.00 74.23 C ATOM 514 C LYS A 33 9.153 21.057 2.280 1.00 50.22 C ATOM 515 O LYS A 33 8.987 21.468 1.130 1.00 13.21 O ATOM 516 CB LYS A 33 8.328 22.413 4.219 1.00 44.00 C ATOM 517 CG LYS A 33 8.658 23.157 5.508 1.00 4.24 C ATOM 518 CD LYS A 33 7.415 23.752 6.160 1.00 21.43 C ATOM 519 CE LYS A 33 6.910 24.973 5.402 1.00 64.51 C ATOM 520 NZ LYS A 33 5.625 25.476 5.955 1.00 41.33 N ATOM 0 H LYS A 33 9.785 23.675 2.150 1.00 23.45 H new ATOM 0 HA LYS A 33 10.274 21.464 4.045 1.00 74.23 H new ATOM 0 HB2 LYS A 33 7.693 23.044 3.597 1.00 44.00 H new ATOM 0 HB3 LYS A 33 7.751 21.520 4.461 1.00 44.00 H new ATOM 0 HG2 LYS A 33 9.142 22.474 6.207 1.00 4.24 H new ATOM 0 HG3 LYS A 33 9.371 23.953 5.294 1.00 4.24 H new ATOM 0 HD2 LYS A 33 6.629 22.998 6.200 1.00 21.43 H new ATOM 0 HD3 LYS A 33 7.642 24.031 7.189 1.00 21.43 H new ATOM 0 HE2 LYS A 33 7.659 25.764 5.447 1.00 64.51 H new ATOM 0 HE3 LYS A 33 6.778 24.719 4.350 1.00 64.51 H new ATOM 0 HZ1 LYS A 33 5.131 26.036 5.231 1.00 41.33 H new ATOM 0 HZ2 LYS A 33 5.029 24.671 6.236 1.00 41.33 H new ATOM 0 HZ3 LYS A 33 5.814 26.073 6.785 1.00 41.33 H new ATOM 534 N ASP A 34 8.996 19.778 2.627 1.00 41.21 N ATOM 535 CA ASP A 34 8.477 18.759 1.707 1.00 70.14 C ATOM 536 C ASP A 34 7.123 18.226 2.210 1.00 40.31 C ATOM 537 O ASP A 34 6.824 18.304 3.401 1.00 24.05 O ATOM 538 CB ASP A 34 9.485 17.614 1.575 1.00 21.14 C ATOM 539 CG ASP A 34 10.829 18.092 1.051 1.00 11.12 C ATOM 540 OD1 ASP A 34 11.689 18.476 1.869 1.00 62.40 O ATOM 541 OD2 ASP A 34 11.025 18.091 -0.186 1.00 4.42 O ATOM 0 H ASP A 34 9.225 19.418 3.553 1.00 41.21 H new ATOM 0 HA ASP A 34 8.327 19.211 0.726 1.00 70.14 H new ATOM 0 HB2 ASP A 34 9.623 17.140 2.547 1.00 21.14 H new ATOM 0 HB3 ASP A 34 9.084 16.855 0.904 1.00 21.14 H new ATOM 546 N TYR A 35 6.308 17.682 1.310 1.00 51.21 N ATOM 547 CA TYR A 35 4.948 17.242 1.662 1.00 51.21 C ATOM 548 C TYR A 35 4.836 15.715 1.799 1.00 71.24 C ATOM 549 O TYR A 35 4.973 14.976 0.829 1.00 13.22 O ATOM 550 CB TYR A 35 3.948 17.774 0.628 1.00 31.54 C ATOM 551 CG TYR A 35 3.773 19.277 0.713 1.00 43.51 C ATOM 552 CD1 TYR A 35 2.851 19.830 1.592 1.00 25.11 C ATOM 553 CD2 TYR A 35 4.544 20.141 -0.058 1.00 70.20 C ATOM 554 CE1 TYR A 35 2.696 21.194 1.699 1.00 23.11 C ATOM 555 CE2 TYR A 35 4.398 21.512 0.050 1.00 25.22 C ATOM 556 CZ TYR A 35 3.470 22.030 0.931 1.00 65.23 C ATOM 557 OH TYR A 35 3.326 23.392 1.061 1.00 5.52 O ATOM 0 H TYR A 35 6.559 17.533 0.333 1.00 51.21 H new ATOM 0 HA TYR A 35 4.711 17.655 2.642 1.00 51.21 H new ATOM 0 HB2 TYR A 35 4.287 17.507 -0.373 1.00 31.54 H new ATOM 0 HB3 TYR A 35 2.983 17.290 0.777 1.00 31.54 H new ATOM 0 HD1 TYR A 35 2.244 19.178 2.203 1.00 25.11 H new ATOM 0 HD2 TYR A 35 5.267 19.735 -0.751 1.00 70.20 H new ATOM 0 HE1 TYR A 35 1.969 21.605 2.384 1.00 23.11 H new ATOM 0 HE2 TYR A 35 5.006 22.173 -0.551 1.00 25.22 H new ATOM 0 HH TYR A 35 3.634 23.670 1.949 1.00 5.52 H new ATOM 567 N GLU A 36 4.581 15.264 3.024 1.00 15.54 N ATOM 568 CA GLU A 36 4.443 13.836 3.341 1.00 31.34 C ATOM 569 C GLU A 36 3.079 13.275 2.901 1.00 74.25 C ATOM 570 O GLU A 36 2.039 13.919 3.070 1.00 42.22 O ATOM 571 CB GLU A 36 4.606 13.632 4.856 1.00 11.13 C ATOM 572 CG GLU A 36 4.497 12.179 5.320 1.00 60.41 C ATOM 573 CD GLU A 36 4.136 12.069 6.794 1.00 63.33 C ATOM 574 OE1 GLU A 36 4.880 12.609 7.641 1.00 2.53 O ATOM 575 OE2 GLU A 36 3.080 11.483 7.114 1.00 43.14 O ATOM 0 H GLU A 36 4.463 15.876 3.831 1.00 15.54 H new ATOM 0 HA GLU A 36 5.219 13.300 2.794 1.00 31.34 H new ATOM 0 HB2 GLU A 36 5.577 14.024 5.159 1.00 11.13 H new ATOM 0 HB3 GLU A 36 3.848 14.222 5.372 1.00 11.13 H new ATOM 0 HG2 GLU A 36 3.743 11.665 4.724 1.00 60.41 H new ATOM 0 HG3 GLU A 36 5.445 11.671 5.141 1.00 60.41 H new ATOM 582 N TYR A 37 3.098 12.069 2.336 1.00 50.54 N ATOM 583 CA TYR A 37 1.873 11.334 1.992 1.00 35.40 C ATOM 584 C TYR A 37 1.970 9.881 2.490 1.00 0.42 C ATOM 585 O TYR A 37 2.588 9.032 1.848 1.00 33.31 O ATOM 586 CB TYR A 37 1.622 11.366 0.474 1.00 51.14 C ATOM 587 CG TYR A 37 1.348 12.758 -0.073 1.00 74.34 C ATOM 588 CD1 TYR A 37 2.391 13.592 -0.463 1.00 52.52 C ATOM 589 CD2 TYR A 37 0.046 13.240 -0.194 1.00 44.40 C ATOM 590 CE1 TYR A 37 2.145 14.860 -0.954 1.00 3.14 C ATOM 591 CE2 TYR A 37 -0.203 14.507 -0.685 1.00 22.33 C ATOM 592 CZ TYR A 37 0.849 15.311 -1.064 1.00 71.12 C ATOM 593 OH TYR A 37 0.604 16.575 -1.552 1.00 71.10 O ATOM 0 H TYR A 37 3.958 11.572 2.103 1.00 50.54 H new ATOM 0 HA TYR A 37 1.031 11.820 2.484 1.00 35.40 H new ATOM 0 HB2 TYR A 37 2.490 10.949 -0.037 1.00 51.14 H new ATOM 0 HB3 TYR A 37 0.775 10.721 0.241 1.00 51.14 H new ATOM 0 HD1 TYR A 37 3.410 13.243 -0.381 1.00 52.52 H new ATOM 0 HD2 TYR A 37 -0.782 12.613 0.101 1.00 44.40 H new ATOM 0 HE1 TYR A 37 2.967 15.495 -1.250 1.00 3.14 H new ATOM 0 HE2 TYR A 37 -1.218 14.865 -0.771 1.00 22.33 H new ATOM 0 HH TYR A 37 1.310 16.824 -2.185 1.00 71.10 H new ATOM 603 N LYS A 38 1.369 9.613 3.650 1.00 34.23 N ATOM 604 CA LYS A 38 1.475 8.302 4.310 1.00 22.13 C ATOM 605 C LYS A 38 0.208 7.455 4.096 1.00 11.44 C ATOM 606 O LYS A 38 -0.848 7.746 4.666 1.00 51.23 O ATOM 607 CB LYS A 38 1.726 8.505 5.811 1.00 10.31 C ATOM 608 CG LYS A 38 1.916 7.212 6.601 1.00 62.54 C ATOM 609 CD LYS A 38 2.097 7.493 8.091 1.00 64.02 C ATOM 610 CE LYS A 38 2.261 6.212 8.901 1.00 53.20 C ATOM 611 NZ LYS A 38 3.517 5.493 8.567 1.00 34.22 N ATOM 0 H LYS A 38 0.799 10.289 4.158 1.00 34.23 H new ATOM 0 HA LYS A 38 2.311 7.762 3.865 1.00 22.13 H new ATOM 0 HB2 LYS A 38 2.612 9.127 5.938 1.00 10.31 H new ATOM 0 HB3 LYS A 38 0.887 9.056 6.236 1.00 10.31 H new ATOM 0 HG2 LYS A 38 1.053 6.563 6.453 1.00 62.54 H new ATOM 0 HG3 LYS A 38 2.786 6.676 6.222 1.00 62.54 H new ATOM 0 HD2 LYS A 38 2.971 8.127 8.236 1.00 64.02 H new ATOM 0 HD3 LYS A 38 1.235 8.048 8.462 1.00 64.02 H new ATOM 0 HE2 LYS A 38 2.254 6.453 9.964 1.00 53.20 H new ATOM 0 HE3 LYS A 38 1.410 5.557 8.717 1.00 53.20 H new ATOM 0 HZ1 LYS A 38 3.314 4.481 8.441 1.00 34.22 H new ATOM 0 HZ2 LYS A 38 3.914 5.879 7.687 1.00 34.22 H new ATOM 0 HZ3 LYS A 38 4.203 5.615 9.339 1.00 34.22 H new ATOM 625 N LEU A 39 0.320 6.404 3.283 1.00 34.35 N ATOM 626 CA LEU A 39 -0.824 5.540 2.952 1.00 62.32 C ATOM 627 C LEU A 39 -0.395 4.077 2.688 1.00 25.13 C ATOM 628 O LEU A 39 0.771 3.803 2.401 1.00 53.15 O ATOM 629 CB LEU A 39 -1.575 6.125 1.738 1.00 11.22 C ATOM 630 CG LEU A 39 -0.689 6.714 0.618 1.00 14.25 C ATOM 631 CD1 LEU A 39 0.090 5.624 -0.116 1.00 51.11 C ATOM 632 CD2 LEU A 39 -1.531 7.530 -0.360 1.00 32.52 C ATOM 0 H LEU A 39 1.194 6.126 2.837 1.00 34.35 H new ATOM 0 HA LEU A 39 -1.492 5.515 3.813 1.00 62.32 H new ATOM 0 HB2 LEU A 39 -2.198 5.341 1.308 1.00 11.22 H new ATOM 0 HB3 LEU A 39 -2.247 6.907 2.093 1.00 11.22 H new ATOM 0 HG LEU A 39 0.039 7.377 1.086 1.00 14.25 H new ATOM 0 HD11 LEU A 39 0.702 6.077 -0.896 1.00 51.11 H new ATOM 0 HD12 LEU A 39 0.733 5.098 0.590 1.00 51.11 H new ATOM 0 HD13 LEU A 39 -0.608 4.918 -0.566 1.00 51.11 H new ATOM 0 HD21 LEU A 39 -0.889 7.937 -1.141 1.00 32.52 H new ATOM 0 HD22 LEU A 39 -2.289 6.889 -0.810 1.00 32.52 H new ATOM 0 HD23 LEU A 39 -2.017 8.348 0.172 1.00 32.52 H new ATOM 644 N THR A 40 -1.346 3.143 2.788 1.00 12.33 N ATOM 645 CA THR A 40 -1.068 1.709 2.580 1.00 63.24 C ATOM 646 C THR A 40 -1.573 1.229 1.209 1.00 0.32 C ATOM 647 O THR A 40 -2.654 1.614 0.766 1.00 31.42 O ATOM 648 CB THR A 40 -1.728 0.833 3.680 1.00 14.31 C ATOM 649 OG1 THR A 40 -1.266 1.235 4.982 1.00 31.03 O ATOM 650 CG2 THR A 40 -1.431 -0.652 3.470 1.00 54.54 C ATOM 0 H THR A 40 -2.319 3.350 3.012 1.00 12.33 H new ATOM 0 HA THR A 40 0.015 1.599 2.629 1.00 63.24 H new ATOM 0 HB THR A 40 -2.806 0.980 3.612 1.00 14.31 H new ATOM 0 HG1 THR A 40 -1.690 0.677 5.666 1.00 31.03 H new ATOM 0 HG21 THR A 40 -1.909 -1.234 4.258 1.00 54.54 H new ATOM 0 HG22 THR A 40 -1.818 -0.967 2.501 1.00 54.54 H new ATOM 0 HG23 THR A 40 -0.354 -0.815 3.501 1.00 54.54 H new ATOM 658 N GLY A 41 -0.786 0.377 0.548 1.00 35.34 N ATOM 659 CA GLY A 41 -1.164 -0.144 -0.765 1.00 33.25 C ATOM 660 C GLY A 41 -1.268 -1.669 -0.805 1.00 24.34 C ATOM 661 O GLY A 41 -0.454 -2.369 -0.202 1.00 74.34 O ATOM 0 H GLY A 41 0.109 0.036 0.898 1.00 35.34 H new ATOM 0 HA2 GLY A 41 -2.122 0.286 -1.056 1.00 33.25 H new ATOM 0 HA3 GLY A 41 -0.431 0.182 -1.502 1.00 33.25 H new ATOM 665 N PHE A 42 -2.273 -2.176 -1.524 1.00 13.55 N ATOM 666 CA PHE A 42 -2.485 -3.626 -1.685 1.00 74.10 C ATOM 667 C PHE A 42 -2.320 -4.037 -3.161 1.00 23.02 C ATOM 668 O PHE A 42 -2.623 -3.247 -4.060 1.00 33.25 O ATOM 669 CB PHE A 42 -3.894 -4.017 -1.207 1.00 43.12 C ATOM 670 CG PHE A 42 -4.179 -3.708 0.245 1.00 72.12 C ATOM 671 CD1 PHE A 42 -4.390 -2.401 0.668 1.00 13.04 C ATOM 672 CD2 PHE A 42 -4.255 -4.728 1.184 1.00 3.35 C ATOM 673 CE1 PHE A 42 -4.666 -2.122 1.993 1.00 41.34 C ATOM 674 CE2 PHE A 42 -4.529 -4.452 2.510 1.00 25.00 C ATOM 675 CZ PHE A 42 -4.734 -3.147 2.915 1.00 34.53 C ATOM 0 H PHE A 42 -2.961 -1.601 -2.010 1.00 13.55 H new ATOM 0 HA PHE A 42 -1.740 -4.145 -1.082 1.00 74.10 H new ATOM 0 HB2 PHE A 42 -4.628 -3.500 -1.825 1.00 43.12 H new ATOM 0 HB3 PHE A 42 -4.035 -5.085 -1.371 1.00 43.12 H new ATOM 0 HD1 PHE A 42 -4.338 -1.594 -0.047 1.00 13.04 H new ATOM 0 HD2 PHE A 42 -4.098 -5.751 0.874 1.00 3.35 H new ATOM 0 HE1 PHE A 42 -4.829 -1.102 2.307 1.00 41.34 H new ATOM 0 HE2 PHE A 42 -4.583 -5.256 3.229 1.00 25.00 H new ATOM 0 HZ PHE A 42 -4.947 -2.929 3.951 1.00 34.53 H new ATOM 685 N ASP A 43 -1.856 -5.269 -3.415 1.00 13.12 N ATOM 686 CA ASP A 43 -1.663 -5.745 -4.800 1.00 33.35 C ATOM 687 C ASP A 43 -1.420 -7.271 -4.879 1.00 43.42 C ATOM 688 O ASP A 43 -1.132 -7.928 -3.873 1.00 22.51 O ATOM 689 CB ASP A 43 -0.484 -4.987 -5.432 1.00 62.05 C ATOM 690 CG ASP A 43 -0.247 -5.321 -6.897 1.00 41.41 C ATOM 691 OD1 ASP A 43 -1.217 -5.290 -7.685 1.00 45.23 O ATOM 692 OD2 ASP A 43 0.913 -5.601 -7.272 1.00 32.22 O ATOM 0 H ASP A 43 -1.610 -5.948 -2.695 1.00 13.12 H new ATOM 0 HA ASP A 43 -2.582 -5.547 -5.351 1.00 33.35 H new ATOM 0 HB2 ASP A 43 -0.662 -3.916 -5.339 1.00 62.05 H new ATOM 0 HB3 ASP A 43 0.422 -5.210 -4.868 1.00 62.05 H new ATOM 697 N LYS A 44 -1.560 -7.813 -6.097 1.00 74.22 N ATOM 698 CA LYS A 44 -1.254 -9.223 -6.411 1.00 64.43 C ATOM 699 C LYS A 44 -2.218 -10.228 -5.757 1.00 44.10 C ATOM 700 O LYS A 44 -3.126 -10.743 -6.419 1.00 51.12 O ATOM 701 CB LYS A 44 0.208 -9.552 -6.058 1.00 64.24 C ATOM 702 CG LYS A 44 1.207 -8.809 -6.935 1.00 24.41 C ATOM 703 CD LYS A 44 2.652 -9.067 -6.530 1.00 4.35 C ATOM 704 CE LYS A 44 3.611 -8.287 -7.421 1.00 63.14 C ATOM 705 NZ LYS A 44 3.332 -6.825 -7.390 1.00 23.22 N ATOM 0 H LYS A 44 -1.892 -7.283 -6.903 1.00 74.22 H new ATOM 0 HA LYS A 44 -1.398 -9.332 -7.486 1.00 64.43 H new ATOM 0 HB2 LYS A 44 0.391 -9.300 -5.013 1.00 64.24 H new ATOM 0 HB3 LYS A 44 0.369 -10.625 -6.160 1.00 64.24 H new ATOM 0 HG2 LYS A 44 1.066 -9.109 -7.973 1.00 24.41 H new ATOM 0 HG3 LYS A 44 1.005 -7.739 -6.882 1.00 24.41 H new ATOM 0 HD2 LYS A 44 2.800 -8.779 -5.489 1.00 4.35 H new ATOM 0 HD3 LYS A 44 2.869 -10.133 -6.600 1.00 4.35 H new ATOM 0 HE2 LYS A 44 4.636 -8.468 -7.097 1.00 63.14 H new ATOM 0 HE3 LYS A 44 3.531 -8.650 -8.446 1.00 63.14 H new ATOM 0 HZ1 LYS A 44 3.900 -6.348 -8.119 1.00 23.22 H new ATOM 0 HZ2 LYS A 44 2.322 -6.660 -7.575 1.00 23.22 H new ATOM 0 HZ3 LYS A 44 3.579 -6.444 -6.454 1.00 23.22 H new ATOM 719 N ASP A 45 -2.026 -10.524 -4.475 1.00 13.23 N ATOM 720 CA ASP A 45 -2.831 -11.559 -3.814 1.00 2.24 C ATOM 721 C ASP A 45 -3.329 -11.121 -2.423 1.00 41.31 C ATOM 722 O ASP A 45 -4.314 -11.660 -1.918 1.00 52.14 O ATOM 723 CB ASP A 45 -2.027 -12.866 -3.721 1.00 63.20 C ATOM 724 CG ASP A 45 -2.871 -14.048 -3.274 1.00 44.32 C ATOM 725 OD1 ASP A 45 -3.919 -14.311 -3.906 1.00 64.15 O ATOM 726 OD2 ASP A 45 -2.485 -14.736 -2.306 1.00 21.25 O ATOM 0 H ASP A 45 -1.333 -10.073 -3.877 1.00 13.23 H new ATOM 0 HA ASP A 45 -3.720 -11.724 -4.423 1.00 2.24 H new ATOM 0 HB2 ASP A 45 -1.588 -13.087 -4.694 1.00 63.20 H new ATOM 0 HB3 ASP A 45 -1.202 -12.730 -3.022 1.00 63.20 H new ATOM 731 N GLY A 46 -2.663 -10.145 -1.804 1.00 52.33 N ATOM 732 CA GLY A 46 -3.123 -9.661 -0.502 1.00 4.02 C ATOM 733 C GLY A 46 -2.071 -8.920 0.321 1.00 44.51 C ATOM 734 O GLY A 46 -2.370 -8.463 1.428 1.00 14.32 O ATOM 0 H GLY A 46 -1.829 -9.686 -2.169 1.00 52.33 H new ATOM 0 HA2 GLY A 46 -3.974 -8.998 -0.658 1.00 4.02 H new ATOM 0 HA3 GLY A 46 -3.483 -10.511 0.078 1.00 4.02 H new ATOM 738 N LYS A 47 -0.847 -8.790 -0.197 1.00 52.55 N ATOM 739 CA LYS A 47 0.213 -8.093 0.545 1.00 51.55 C ATOM 740 C LYS A 47 -0.064 -6.586 0.633 1.00 10.25 C ATOM 741 O LYS A 47 -0.615 -5.986 -0.292 1.00 35.41 O ATOM 742 CB LYS A 47 1.598 -8.322 -0.083 1.00 71.03 C ATOM 743 CG LYS A 47 1.772 -7.727 -1.482 1.00 34.14 C ATOM 744 CD LYS A 47 3.249 -7.664 -1.890 1.00 65.41 C ATOM 745 CE LYS A 47 3.915 -9.037 -1.861 1.00 15.31 C ATOM 746 NZ LYS A 47 5.383 -8.959 -2.085 1.00 44.42 N ATOM 0 H LYS A 47 -0.566 -9.150 -1.109 1.00 52.55 H new ATOM 0 HA LYS A 47 0.214 -8.514 1.550 1.00 51.55 H new ATOM 0 HB2 LYS A 47 2.355 -7.896 0.575 1.00 71.03 H new ATOM 0 HB3 LYS A 47 1.786 -9.394 -0.133 1.00 71.03 H new ATOM 0 HG2 LYS A 47 1.220 -8.328 -2.205 1.00 34.14 H new ATOM 0 HG3 LYS A 47 1.344 -6.725 -1.507 1.00 34.14 H new ATOM 0 HD2 LYS A 47 3.329 -7.244 -2.893 1.00 65.41 H new ATOM 0 HD3 LYS A 47 3.781 -6.990 -1.219 1.00 65.41 H new ATOM 0 HE2 LYS A 47 3.722 -9.512 -0.899 1.00 15.31 H new ATOM 0 HE3 LYS A 47 3.467 -9.672 -2.625 1.00 15.31 H new ATOM 0 HZ1 LYS A 47 5.790 -9.916 -2.056 1.00 44.42 H new ATOM 0 HZ2 LYS A 47 5.570 -8.531 -3.014 1.00 44.42 H new ATOM 0 HZ3 LYS A 47 5.817 -8.376 -1.341 1.00 44.42 H new ATOM 760 N GLU A 48 0.325 -5.984 1.754 1.00 2.00 N ATOM 761 CA GLU A 48 0.128 -4.551 1.976 1.00 62.20 C ATOM 762 C GLU A 48 1.381 -3.896 2.573 1.00 51.10 C ATOM 763 O GLU A 48 2.023 -4.446 3.476 1.00 22.41 O ATOM 764 CB GLU A 48 -1.075 -4.316 2.900 1.00 42.12 C ATOM 765 CG GLU A 48 -0.920 -4.919 4.294 1.00 23.20 C ATOM 766 CD GLU A 48 -2.149 -4.710 5.163 1.00 55.42 C ATOM 767 OE1 GLU A 48 -2.299 -3.610 5.738 1.00 44.42 O ATOM 768 OE2 GLU A 48 -2.972 -5.643 5.280 1.00 74.23 O ATOM 0 H GLU A 48 0.781 -6.468 2.527 1.00 2.00 H new ATOM 0 HA GLU A 48 -0.065 -4.090 1.007 1.00 62.20 H new ATOM 0 HB2 GLU A 48 -1.241 -3.243 2.997 1.00 42.12 H new ATOM 0 HB3 GLU A 48 -1.966 -4.735 2.432 1.00 42.12 H new ATOM 0 HG2 GLU A 48 -0.721 -5.987 4.203 1.00 23.20 H new ATOM 0 HG3 GLU A 48 -0.054 -4.474 4.784 1.00 23.20 H new ATOM 775 N LYS A 49 1.736 -2.726 2.050 1.00 41.01 N ATOM 776 CA LYS A 49 2.861 -1.946 2.578 1.00 65.33 C ATOM 777 C LYS A 49 2.505 -0.454 2.640 1.00 34.24 C ATOM 778 O LYS A 49 1.741 0.046 1.812 1.00 73.32 O ATOM 779 CB LYS A 49 4.129 -2.157 1.725 1.00 13.40 C ATOM 780 CG LYS A 49 4.655 -3.594 1.742 1.00 14.20 C ATOM 781 CD LYS A 49 6.055 -3.708 1.138 1.00 55.20 C ATOM 782 CE LYS A 49 6.606 -5.128 1.265 1.00 54.40 C ATOM 783 NZ LYS A 49 8.029 -5.230 0.837 1.00 53.12 N ATOM 0 H LYS A 49 1.262 -2.292 1.258 1.00 41.01 H new ATOM 0 HA LYS A 49 3.066 -2.298 3.589 1.00 65.33 H new ATOM 0 HB2 LYS A 49 3.914 -1.871 0.695 1.00 13.40 H new ATOM 0 HB3 LYS A 49 4.912 -1.489 2.084 1.00 13.40 H new ATOM 0 HG2 LYS A 49 4.674 -3.959 2.769 1.00 14.20 H new ATOM 0 HG3 LYS A 49 3.970 -4.236 1.188 1.00 14.20 H new ATOM 0 HD2 LYS A 49 6.023 -3.422 0.087 1.00 55.20 H new ATOM 0 HD3 LYS A 49 6.726 -3.010 1.638 1.00 55.20 H new ATOM 0 HE2 LYS A 49 6.517 -5.457 2.300 1.00 54.40 H new ATOM 0 HE3 LYS A 49 6.000 -5.804 0.662 1.00 54.40 H new ATOM 0 HZ1 LYS A 49 8.354 -6.212 0.943 1.00 53.12 H new ATOM 0 HZ2 LYS A 49 8.113 -4.943 -0.159 1.00 53.12 H new ATOM 0 HZ3 LYS A 49 8.615 -4.606 1.428 1.00 53.12 H new ATOM 797 N GLU A 50 3.041 0.252 3.637 1.00 54.22 N ATOM 798 CA GLU A 50 2.816 1.696 3.766 1.00 1.31 C ATOM 799 C GLU A 50 3.766 2.487 2.856 1.00 30.11 C ATOM 800 O GLU A 50 4.964 2.598 3.133 1.00 55.02 O ATOM 801 CB GLU A 50 2.992 2.151 5.224 1.00 42.11 C ATOM 802 CG GLU A 50 1.933 1.606 6.176 1.00 13.40 C ATOM 803 CD GLU A 50 2.191 2.007 7.621 1.00 51.52 C ATOM 804 OE1 GLU A 50 1.757 3.102 8.028 1.00 71.41 O ATOM 805 OE2 GLU A 50 2.840 1.230 8.355 1.00 42.33 O ATOM 0 H GLU A 50 3.632 -0.149 4.365 1.00 54.22 H new ATOM 0 HA GLU A 50 1.790 1.896 3.456 1.00 1.31 H new ATOM 0 HB2 GLU A 50 3.976 1.840 5.575 1.00 42.11 H new ATOM 0 HB3 GLU A 50 2.971 3.240 5.259 1.00 42.11 H new ATOM 0 HG2 GLU A 50 0.952 1.970 5.870 1.00 13.40 H new ATOM 0 HG3 GLU A 50 1.907 0.519 6.102 1.00 13.40 H new ATOM 812 N LEU A 51 3.238 3.011 1.758 1.00 52.14 N ATOM 813 CA LEU A 51 4.026 3.827 0.833 1.00 60.32 C ATOM 814 C LEU A 51 3.976 5.306 1.240 1.00 32.14 C ATOM 815 O LEU A 51 3.172 6.088 0.731 1.00 74.33 O ATOM 816 CB LEU A 51 3.536 3.634 -0.614 1.00 30.44 C ATOM 817 CG LEU A 51 3.975 2.319 -1.291 1.00 71.42 C ATOM 818 CD1 LEU A 51 3.479 1.101 -0.522 1.00 0.22 C ATOM 819 CD2 LEU A 51 3.498 2.272 -2.739 1.00 31.22 C ATOM 0 H LEU A 51 2.264 2.887 1.482 1.00 52.14 H new ATOM 0 HA LEU A 51 5.064 3.499 0.883 1.00 60.32 H new ATOM 0 HB2 LEU A 51 2.447 3.680 -0.620 1.00 30.44 H new ATOM 0 HB3 LEU A 51 3.894 4.470 -1.215 1.00 30.44 H new ATOM 0 HG LEU A 51 5.065 2.293 -1.284 1.00 71.42 H new ATOM 0 HD11 LEU A 51 3.807 0.193 -1.028 1.00 0.22 H new ATOM 0 HD12 LEU A 51 3.885 1.119 0.490 1.00 0.22 H new ATOM 0 HD13 LEU A 51 2.390 1.118 -0.477 1.00 0.22 H new ATOM 0 HD21 LEU A 51 3.818 1.336 -3.197 1.00 31.22 H new ATOM 0 HD22 LEU A 51 2.410 2.335 -2.766 1.00 31.22 H new ATOM 0 HD23 LEU A 51 3.924 3.111 -3.290 1.00 31.22 H new ATOM 831 N GLU A 52 4.834 5.668 2.188 1.00 72.21 N ATOM 832 CA GLU A 52 4.900 7.037 2.709 1.00 21.21 C ATOM 833 C GLU A 52 6.045 7.822 2.050 1.00 65.14 C ATOM 834 O GLU A 52 7.222 7.602 2.347 1.00 3.14 O ATOM 835 CB GLU A 52 5.045 7.005 4.245 1.00 42.33 C ATOM 836 CG GLU A 52 6.098 6.020 4.752 1.00 43.44 C ATOM 837 CD GLU A 52 6.021 5.784 6.253 1.00 51.24 C ATOM 838 OE1 GLU A 52 5.237 4.909 6.683 1.00 1.43 O ATOM 839 OE2 GLU A 52 6.742 6.465 7.010 1.00 2.32 O ATOM 0 H GLU A 52 5.502 5.028 2.618 1.00 72.21 H new ATOM 0 HA GLU A 52 3.973 7.555 2.462 1.00 21.21 H new ATOM 0 HB2 GLU A 52 5.300 8.005 4.596 1.00 42.33 H new ATOM 0 HB3 GLU A 52 4.081 6.748 4.685 1.00 42.33 H new ATOM 0 HG2 GLU A 52 5.976 5.069 4.234 1.00 43.44 H new ATOM 0 HG3 GLU A 52 7.090 6.396 4.500 1.00 43.44 H new ATOM 846 N PHE A 53 5.690 8.729 1.138 1.00 1.21 N ATOM 847 CA PHE A 53 6.685 9.492 0.369 1.00 53.42 C ATOM 848 C PHE A 53 6.531 11.007 0.565 1.00 4.34 C ATOM 849 O PHE A 53 5.545 11.480 1.128 1.00 53.22 O ATOM 850 CB PHE A 53 6.575 9.147 -1.124 1.00 13.25 C ATOM 851 CG PHE A 53 5.240 9.497 -1.753 1.00 42.24 C ATOM 852 CD1 PHE A 53 4.158 8.630 -1.653 1.00 42.13 C ATOM 853 CD2 PHE A 53 5.072 10.690 -2.449 1.00 33.12 C ATOM 854 CE1 PHE A 53 2.942 8.945 -2.233 1.00 14.02 C ATOM 855 CE2 PHE A 53 3.857 11.005 -3.030 1.00 70.32 C ATOM 856 CZ PHE A 53 2.793 10.133 -2.922 1.00 22.14 C ATOM 0 H PHE A 53 4.722 8.956 0.911 1.00 1.21 H new ATOM 0 HA PHE A 53 7.669 9.209 0.742 1.00 53.42 H new ATOM 0 HB2 PHE A 53 7.365 9.669 -1.664 1.00 13.25 H new ATOM 0 HB3 PHE A 53 6.754 8.079 -1.252 1.00 13.25 H new ATOM 0 HD1 PHE A 53 4.268 7.699 -1.116 1.00 42.13 H new ATOM 0 HD2 PHE A 53 5.900 11.378 -2.537 1.00 33.12 H new ATOM 0 HE1 PHE A 53 2.110 8.262 -2.147 1.00 14.02 H new ATOM 0 HE2 PHE A 53 3.741 11.934 -3.568 1.00 70.32 H new ATOM 0 HZ PHE A 53 1.844 10.379 -3.376 1.00 22.14 H new ATOM 866 N THR A 54 7.519 11.763 0.082 1.00 22.11 N ATOM 867 CA THR A 54 7.509 13.228 0.188 1.00 75.14 C ATOM 868 C THR A 54 7.474 13.897 -1.197 1.00 22.43 C ATOM 869 O THR A 54 8.434 13.822 -1.963 1.00 4.34 O ATOM 870 CB THR A 54 8.746 13.740 0.965 1.00 34.50 C ATOM 871 OG1 THR A 54 9.954 13.294 0.323 1.00 74.10 O ATOM 872 CG2 THR A 54 8.728 13.247 2.409 1.00 42.33 C ATOM 0 H THR A 54 8.341 11.385 -0.389 1.00 22.11 H new ATOM 0 HA THR A 54 6.603 13.496 0.732 1.00 75.14 H new ATOM 0 HB THR A 54 8.714 14.830 0.967 1.00 34.50 H new ATOM 0 HG1 THR A 54 9.855 13.369 -0.649 1.00 74.10 H new ATOM 0 HG21 THR A 54 9.608 13.621 2.932 1.00 42.33 H new ATOM 0 HG22 THR A 54 7.829 13.610 2.906 1.00 42.33 H new ATOM 0 HG23 THR A 54 8.735 12.157 2.421 1.00 42.33 H new ATOM 880 N ALA A 55 6.361 14.558 -1.506 1.00 60.42 N ATOM 881 CA ALA A 55 6.200 15.264 -2.782 1.00 52.21 C ATOM 882 C ALA A 55 6.528 16.757 -2.631 1.00 55.21 C ATOM 883 O ALA A 55 6.496 17.307 -1.528 1.00 61.44 O ATOM 884 CB ALA A 55 4.781 15.085 -3.309 1.00 52.42 C ATOM 0 H ALA A 55 5.551 14.622 -0.889 1.00 60.42 H new ATOM 0 HA ALA A 55 6.900 14.834 -3.499 1.00 52.21 H new ATOM 0 HB1 ALA A 55 4.675 15.614 -4.256 1.00 52.42 H new ATOM 0 HB2 ALA A 55 4.580 14.024 -3.461 1.00 52.42 H new ATOM 0 HB3 ALA A 55 4.071 15.488 -2.587 1.00 52.42 H new ATOM 890 N GLN A 56 6.839 17.413 -3.745 1.00 52.42 N ATOM 891 CA GLN A 56 7.259 18.820 -3.718 1.00 72.11 C ATOM 892 C GLN A 56 6.071 19.797 -3.630 1.00 44.14 C ATOM 893 O GLN A 56 6.270 21.009 -3.529 1.00 74.15 O ATOM 894 CB GLN A 56 8.109 19.137 -4.956 1.00 55.14 C ATOM 895 CG GLN A 56 7.347 19.049 -6.278 1.00 22.41 C ATOM 896 CD GLN A 56 8.241 19.256 -7.492 1.00 73.40 C ATOM 897 OE1 GLN A 56 9.248 19.950 -7.426 1.00 21.02 O ATOM 898 NE2 GLN A 56 7.879 18.664 -8.610 1.00 71.33 N ATOM 0 H GLN A 56 6.810 16.999 -4.677 1.00 52.42 H new ATOM 0 HA GLN A 56 7.852 18.958 -2.814 1.00 72.11 H new ATOM 0 HB2 GLN A 56 8.521 20.141 -4.853 1.00 55.14 H new ATOM 0 HB3 GLN A 56 8.953 18.448 -4.989 1.00 55.14 H new ATOM 0 HG2 GLN A 56 6.866 18.074 -6.350 1.00 22.41 H new ATOM 0 HG3 GLN A 56 6.554 19.797 -6.285 1.00 22.41 H new ATOM 0 HE21 GLN A 56 7.035 18.092 -8.634 1.00 71.33 H new ATOM 0 HE22 GLN A 56 8.443 18.777 -9.453 1.00 71.33 H new ATOM 907 N LYS A 57 4.841 19.276 -3.659 1.00 52.10 N ATOM 908 CA LYS A 57 3.642 20.127 -3.625 1.00 20.24 C ATOM 909 C LYS A 57 2.361 19.299 -3.400 1.00 73.32 C ATOM 910 O LYS A 57 2.374 18.071 -3.511 1.00 71.12 O ATOM 911 CB LYS A 57 3.544 20.935 -4.936 1.00 73.34 C ATOM 912 CG LYS A 57 2.408 21.958 -4.973 1.00 2.50 C ATOM 913 CD LYS A 57 2.501 22.859 -6.201 1.00 51.35 C ATOM 914 CE LYS A 57 2.475 22.061 -7.501 1.00 65.21 C ATOM 915 NZ LYS A 57 2.754 22.916 -8.684 1.00 52.12 N ATOM 0 H LYS A 57 4.647 18.276 -3.706 1.00 52.10 H new ATOM 0 HA LYS A 57 3.734 20.813 -2.783 1.00 20.24 H new ATOM 0 HB2 LYS A 57 4.488 21.455 -5.098 1.00 73.34 H new ATOM 0 HB3 LYS A 57 3.416 20.240 -5.766 1.00 73.34 H new ATOM 0 HG2 LYS A 57 1.450 21.438 -4.974 1.00 2.50 H new ATOM 0 HG3 LYS A 57 2.438 22.568 -4.070 1.00 2.50 H new ATOM 0 HD2 LYS A 57 1.672 23.567 -6.194 1.00 51.35 H new ATOM 0 HD3 LYS A 57 3.420 23.443 -6.153 1.00 51.35 H new ATOM 0 HE2 LYS A 57 3.213 21.260 -7.450 1.00 65.21 H new ATOM 0 HE3 LYS A 57 1.500 21.588 -7.617 1.00 65.21 H new ATOM 0 HZ1 LYS A 57 2.727 22.335 -9.546 1.00 52.12 H new ATOM 0 HZ2 LYS A 57 2.035 23.665 -8.748 1.00 52.12 H new ATOM 0 HZ3 LYS A 57 3.695 23.347 -8.586 1.00 52.12 H new ATOM 929 N ASN A 58 1.266 19.984 -3.055 1.00 60.14 N ATOM 930 CA ASN A 58 -0.039 19.339 -2.849 1.00 0.34 C ATOM 931 C ASN A 58 -0.641 18.802 -4.163 1.00 11.10 C ATOM 932 O ASN A 58 -0.282 19.243 -5.257 1.00 2.13 O ATOM 933 CB ASN A 58 -1.014 20.333 -2.209 1.00 12.42 C ATOM 934 CG ASN A 58 -0.538 20.827 -0.857 1.00 14.43 C ATOM 935 OD1 ASN A 58 0.217 21.788 -0.763 1.00 32.11 O ATOM 936 ND2 ASN A 58 -0.982 20.181 0.201 1.00 73.42 N ATOM 0 H ASN A 58 1.256 20.994 -2.911 1.00 60.14 H new ATOM 0 HA ASN A 58 0.121 18.488 -2.187 1.00 0.34 H new ATOM 0 HB2 ASN A 58 -1.149 21.184 -2.876 1.00 12.42 H new ATOM 0 HB3 ASN A 58 -1.989 19.859 -2.096 1.00 12.42 H new ATOM 0 HD21 ASN A 58 -0.699 20.477 1.135 1.00 73.42 H new ATOM 0 HD22 ASN A 58 -1.609 19.385 0.086 1.00 73.42 H new ATOM 943 N LEU A 59 -1.564 17.853 -4.034 1.00 63.44 N ATOM 944 CA LEU A 59 -2.261 17.258 -5.186 1.00 50.22 C ATOM 945 C LEU A 59 -3.757 17.043 -4.877 1.00 43.41 C ATOM 946 O LEU A 59 -4.248 17.487 -3.841 1.00 41.03 O ATOM 947 CB LEU A 59 -1.574 15.938 -5.595 1.00 31.42 C ATOM 948 CG LEU A 59 -1.177 14.991 -4.437 1.00 14.04 C ATOM 949 CD1 LEU A 59 -2.402 14.403 -3.744 1.00 33.32 C ATOM 950 CD2 LEU A 59 -0.260 13.876 -4.934 1.00 40.22 C ATOM 0 H LEU A 59 -1.854 17.471 -3.134 1.00 63.44 H new ATOM 0 HA LEU A 59 -2.201 17.949 -6.027 1.00 50.22 H new ATOM 0 HB2 LEU A 59 -2.241 15.398 -6.267 1.00 31.42 H new ATOM 0 HB3 LEU A 59 -0.676 16.180 -6.164 1.00 31.42 H new ATOM 0 HG LEU A 59 -0.634 15.587 -3.704 1.00 14.04 H new ATOM 0 HD11 LEU A 59 -2.082 13.744 -2.937 1.00 33.32 H new ATOM 0 HD12 LEU A 59 -3.010 15.209 -3.334 1.00 33.32 H new ATOM 0 HD13 LEU A 59 -2.990 13.835 -4.465 1.00 33.32 H new ATOM 0 HD21 LEU A 59 0.005 13.224 -4.101 1.00 40.22 H new ATOM 0 HD22 LEU A 59 -0.775 13.296 -5.700 1.00 40.22 H new ATOM 0 HD23 LEU A 59 0.646 14.311 -5.356 1.00 40.22 H new ATOM 962 N ARG A 60 -4.481 16.368 -5.773 1.00 53.13 N ATOM 963 CA ARG A 60 -5.917 16.112 -5.565 1.00 11.15 C ATOM 964 C ARG A 60 -6.161 15.076 -4.448 1.00 13.31 C ATOM 965 O ARG A 60 -5.926 13.881 -4.621 1.00 53.44 O ATOM 966 CB ARG A 60 -6.586 15.658 -6.878 1.00 24.04 C ATOM 967 CG ARG A 60 -6.959 16.804 -7.824 1.00 31.30 C ATOM 968 CD ARG A 60 -5.747 17.612 -8.284 1.00 71.22 C ATOM 969 NE ARG A 60 -4.777 16.783 -8.995 1.00 44.54 N ATOM 970 CZ ARG A 60 -3.889 17.237 -9.839 1.00 4.42 C ATOM 971 NH1 ARG A 60 -3.823 18.498 -10.122 1.00 23.55 N ATOM 972 NH2 ARG A 60 -3.070 16.412 -10.406 1.00 14.14 N ATOM 0 H ARG A 60 -4.106 15.990 -6.643 1.00 53.13 H new ATOM 0 HA ARG A 60 -6.370 17.051 -5.247 1.00 11.15 H new ATOM 0 HB2 ARG A 60 -5.913 14.977 -7.399 1.00 24.04 H new ATOM 0 HB3 ARG A 60 -7.487 15.093 -6.637 1.00 24.04 H new ATOM 0 HG2 ARG A 60 -7.470 16.397 -8.696 1.00 31.30 H new ATOM 0 HG3 ARG A 60 -7.663 17.468 -7.323 1.00 31.30 H new ATOM 0 HD2 ARG A 60 -6.077 18.423 -8.934 1.00 71.22 H new ATOM 0 HD3 ARG A 60 -5.267 18.071 -7.419 1.00 71.22 H new ATOM 0 HE ARG A 60 -4.794 15.778 -8.820 1.00 44.54 H new ATOM 0 HH11 ARG A 60 -4.470 19.154 -9.684 1.00 23.55 H new ATOM 0 HH12 ARG A 60 -3.124 18.836 -10.783 1.00 23.55 H new ATOM 0 HH21 ARG A 60 -3.121 15.416 -10.193 1.00 14.14 H new ATOM 0 HH22 ARG A 60 -2.374 16.758 -11.066 1.00 14.14 H new ATOM 986 N LYS A 61 -6.628 15.559 -3.297 1.00 5.11 N ATOM 987 CA LYS A 61 -6.901 14.700 -2.136 1.00 31.05 C ATOM 988 C LYS A 61 -8.083 13.742 -2.385 1.00 33.12 C ATOM 989 O LYS A 61 -9.000 14.052 -3.151 1.00 12.22 O ATOM 990 CB LYS A 61 -7.171 15.573 -0.903 1.00 63.32 C ATOM 991 CG LYS A 61 -8.345 16.532 -1.077 1.00 61.03 C ATOM 992 CD LYS A 61 -8.391 17.581 0.031 1.00 40.13 C ATOM 993 CE LYS A 61 -9.522 18.578 -0.188 1.00 55.04 C ATOM 994 NZ LYS A 61 -9.445 19.720 0.762 1.00 34.44 N ATOM 0 H LYS A 61 -6.828 16.547 -3.139 1.00 5.11 H new ATOM 0 HA LYS A 61 -6.020 14.081 -1.964 1.00 31.05 H new ATOM 0 HB2 LYS A 61 -7.365 14.927 -0.047 1.00 63.32 H new ATOM 0 HB3 LYS A 61 -6.274 16.148 -0.672 1.00 63.32 H new ATOM 0 HG2 LYS A 61 -8.268 17.029 -2.044 1.00 61.03 H new ATOM 0 HG3 LYS A 61 -9.277 15.968 -1.082 1.00 61.03 H new ATOM 0 HD2 LYS A 61 -8.521 17.088 0.994 1.00 40.13 H new ATOM 0 HD3 LYS A 61 -7.440 18.112 0.070 1.00 40.13 H new ATOM 0 HE2 LYS A 61 -9.483 18.953 -1.211 1.00 55.04 H new ATOM 0 HE3 LYS A 61 -10.480 18.072 -0.071 1.00 55.04 H new ATOM 0 HZ1 LYS A 61 -10.231 20.376 0.581 1.00 34.44 H new ATOM 0 HZ2 LYS A 61 -9.508 19.365 1.737 1.00 34.44 H new ATOM 0 HZ3 LYS A 61 -8.542 20.219 0.633 1.00 34.44 H new ATOM 1008 N GLU A 62 -8.035 12.573 -1.732 1.00 73.22 N ATOM 1009 CA GLU A 62 -9.057 11.510 -1.870 1.00 62.42 C ATOM 1010 C GLU A 62 -8.928 10.743 -3.204 1.00 55.25 C ATOM 1011 O GLU A 62 -9.414 9.616 -3.329 1.00 22.42 O ATOM 1012 CB GLU A 62 -10.478 12.079 -1.709 1.00 72.01 C ATOM 1013 CG GLU A 62 -11.578 11.020 -1.670 1.00 61.45 C ATOM 1014 CD GLU A 62 -12.966 11.617 -1.485 1.00 1.42 C ATOM 1015 OE1 GLU A 62 -13.324 11.963 -0.338 1.00 74.43 O ATOM 1016 OE2 GLU A 62 -13.708 11.741 -2.482 1.00 31.14 O ATOM 0 H GLU A 62 -7.283 12.330 -1.087 1.00 73.22 H new ATOM 0 HA GLU A 62 -8.876 10.797 -1.066 1.00 62.42 H new ATOM 0 HB2 GLU A 62 -10.521 12.664 -0.790 1.00 72.01 H new ATOM 0 HB3 GLU A 62 -10.678 12.764 -2.533 1.00 72.01 H new ATOM 0 HG2 GLU A 62 -11.555 10.445 -2.596 1.00 61.45 H new ATOM 0 HG3 GLU A 62 -11.376 10.323 -0.857 1.00 61.45 H new ATOM 1023 N ALA A 63 -8.268 11.350 -4.195 1.00 71.42 N ATOM 1024 CA ALA A 63 -8.048 10.705 -5.495 1.00 52.05 C ATOM 1025 C ALA A 63 -7.057 9.534 -5.386 1.00 71.52 C ATOM 1026 O ALA A 63 -6.367 9.379 -4.374 1.00 65.41 O ATOM 1027 CB ALA A 63 -7.554 11.728 -6.515 1.00 44.42 C ATOM 0 H ALA A 63 -7.876 12.289 -4.122 1.00 71.42 H new ATOM 0 HA ALA A 63 -9.002 10.299 -5.831 1.00 52.05 H new ATOM 0 HB1 ALA A 63 -7.395 11.237 -7.475 1.00 44.42 H new ATOM 0 HB2 ALA A 63 -8.298 12.516 -6.630 1.00 44.42 H new ATOM 0 HB3 ALA A 63 -6.616 12.162 -6.170 1.00 44.42 H new ATOM 1033 N PHE A 64 -6.986 8.717 -6.435 1.00 70.52 N ATOM 1034 CA PHE A 64 -6.142 7.518 -6.425 1.00 51.13 C ATOM 1035 C PHE A 64 -4.776 7.760 -7.083 1.00 54.33 C ATOM 1036 O PHE A 64 -4.626 8.614 -7.957 1.00 74.32 O ATOM 1037 CB PHE A 64 -6.867 6.352 -7.115 1.00 33.20 C ATOM 1038 CG PHE A 64 -8.020 5.799 -6.310 1.00 70.44 C ATOM 1039 CD1 PHE A 64 -9.226 6.482 -6.232 1.00 13.54 C ATOM 1040 CD2 PHE A 64 -7.891 4.598 -5.624 1.00 32.30 C ATOM 1041 CE1 PHE A 64 -10.278 5.978 -5.488 1.00 61.44 C ATOM 1042 CE2 PHE A 64 -8.939 4.092 -4.881 1.00 64.32 C ATOM 1043 CZ PHE A 64 -10.134 4.782 -4.812 1.00 23.51 C ATOM 0 H PHE A 64 -7.501 8.861 -7.303 1.00 70.52 H new ATOM 0 HA PHE A 64 -5.956 7.263 -5.382 1.00 51.13 H new ATOM 0 HB2 PHE A 64 -7.238 6.687 -8.084 1.00 33.20 H new ATOM 0 HB3 PHE A 64 -6.152 5.552 -7.307 1.00 33.20 H new ATOM 0 HD1 PHE A 64 -9.344 7.418 -6.758 1.00 13.54 H new ATOM 0 HD2 PHE A 64 -6.960 4.053 -5.672 1.00 32.30 H new ATOM 0 HE1 PHE A 64 -11.211 6.519 -5.436 1.00 61.44 H new ATOM 0 HE2 PHE A 64 -8.825 3.157 -4.354 1.00 64.32 H new ATOM 0 HZ PHE A 64 -10.954 4.387 -4.231 1.00 23.51 H new ATOM 1053 N LEU A 65 -3.783 6.992 -6.646 1.00 61.10 N ATOM 1054 CA LEU A 65 -2.422 7.089 -7.177 1.00 71.55 C ATOM 1055 C LEU A 65 -1.862 5.710 -7.558 1.00 44.44 C ATOM 1056 O LEU A 65 -1.898 4.768 -6.764 1.00 11.21 O ATOM 1057 CB LEU A 65 -1.481 7.742 -6.146 1.00 24.14 C ATOM 1058 CG LEU A 65 -1.601 9.268 -5.980 1.00 1.22 C ATOM 1059 CD1 LEU A 65 -0.736 9.748 -4.815 1.00 55.43 C ATOM 1060 CD2 LEU A 65 -1.196 9.984 -7.265 1.00 1.51 C ATOM 0 H LEU A 65 -3.895 6.287 -5.917 1.00 61.10 H new ATOM 0 HA LEU A 65 -2.474 7.707 -8.073 1.00 71.55 H new ATOM 0 HB2 LEU A 65 -1.661 7.278 -5.177 1.00 24.14 H new ATOM 0 HB3 LEU A 65 -0.454 7.508 -6.425 1.00 24.14 H new ATOM 0 HG LEU A 65 -2.643 9.506 -5.765 1.00 1.22 H new ATOM 0 HD11 LEU A 65 -0.832 10.829 -4.711 1.00 55.43 H new ATOM 0 HD12 LEU A 65 -1.064 9.265 -3.895 1.00 55.43 H new ATOM 0 HD13 LEU A 65 0.306 9.493 -5.007 1.00 55.43 H new ATOM 0 HD21 LEU A 65 -1.288 11.061 -7.126 1.00 1.51 H new ATOM 0 HD22 LEU A 65 -0.163 9.737 -7.509 1.00 1.51 H new ATOM 0 HD23 LEU A 65 -1.847 9.666 -8.079 1.00 1.51 H new ATOM 1072 N ARG A 66 -1.354 5.605 -8.782 1.00 25.32 N ATOM 1073 CA ARG A 66 -0.552 4.454 -9.198 1.00 64.15 C ATOM 1074 C ARG A 66 0.888 4.640 -8.699 1.00 71.22 C ATOM 1075 O ARG A 66 1.737 5.186 -9.407 1.00 2.02 O ATOM 1076 CB ARG A 66 -0.559 4.314 -10.729 1.00 52.44 C ATOM 1077 CG ARG A 66 -1.935 4.039 -11.328 1.00 14.24 C ATOM 1078 CD ARG A 66 -1.892 3.993 -12.855 1.00 14.14 C ATOM 1079 NE ARG A 66 -0.899 3.043 -13.355 1.00 14.44 N ATOM 1080 CZ ARG A 66 -0.848 2.612 -14.584 1.00 12.13 C ATOM 1081 NH1 ARG A 66 -1.779 2.917 -15.438 1.00 20.42 N ATOM 1082 NH2 ARG A 66 0.114 1.829 -14.943 1.00 51.00 N ATOM 0 H ARG A 66 -1.484 6.308 -9.510 1.00 25.32 H new ATOM 0 HA ARG A 66 -0.980 3.548 -8.769 1.00 64.15 H new ATOM 0 HB2 ARG A 66 -0.161 5.229 -11.168 1.00 52.44 H new ATOM 0 HB3 ARG A 66 0.115 3.506 -11.011 1.00 52.44 H new ATOM 0 HG2 ARG A 66 -2.314 3.091 -10.947 1.00 14.24 H new ATOM 0 HG3 ARG A 66 -2.632 4.813 -11.007 1.00 14.24 H new ATOM 0 HD2 ARG A 66 -2.876 3.720 -13.236 1.00 14.14 H new ATOM 0 HD3 ARG A 66 -1.666 4.987 -13.240 1.00 14.14 H new ATOM 0 HE ARG A 66 -0.200 2.695 -12.699 1.00 14.44 H new ATOM 0 HH11 ARG A 66 -2.564 3.501 -15.150 1.00 20.42 H new ATOM 0 HH12 ARG A 66 -1.725 2.572 -16.396 1.00 20.42 H new ATOM 0 HH21 ARG A 66 0.826 1.553 -14.267 1.00 51.00 H new ATOM 0 HH22 ARG A 66 0.162 1.487 -15.903 1.00 51.00 H new ATOM 1096 N VAL A 67 1.146 4.224 -7.464 1.00 31.11 N ATOM 1097 CA VAL A 67 2.442 4.472 -6.832 1.00 2.22 C ATOM 1098 C VAL A 67 3.415 3.317 -7.038 1.00 22.33 C ATOM 1099 O VAL A 67 3.178 2.183 -6.615 1.00 63.34 O ATOM 1100 CB VAL A 67 2.296 4.763 -5.319 1.00 14.43 C ATOM 1101 CG1 VAL A 67 3.641 5.148 -4.709 1.00 11.22 C ATOM 1102 CG2 VAL A 67 1.260 5.859 -5.078 1.00 13.24 C ATOM 0 H VAL A 67 0.481 3.716 -6.881 1.00 31.11 H new ATOM 0 HA VAL A 67 2.850 5.355 -7.323 1.00 2.22 H new ATOM 0 HB VAL A 67 1.950 3.853 -4.830 1.00 14.43 H new ATOM 0 HG11 VAL A 67 3.514 5.348 -3.645 1.00 11.22 H new ATOM 0 HG12 VAL A 67 4.349 4.330 -4.843 1.00 11.22 H new ATOM 0 HG13 VAL A 67 4.022 6.042 -5.203 1.00 11.22 H new ATOM 0 HG21 VAL A 67 1.173 6.048 -4.008 1.00 13.24 H new ATOM 0 HG22 VAL A 67 1.572 6.773 -5.584 1.00 13.24 H new ATOM 0 HG23 VAL A 67 0.294 5.539 -5.470 1.00 13.24 H new ATOM 1112 N TYR A 68 4.515 3.640 -7.698 1.00 74.34 N ATOM 1113 CA TYR A 68 5.594 2.702 -7.938 1.00 4.33 C ATOM 1114 C TYR A 68 6.353 2.398 -6.636 1.00 53.13 C ATOM 1115 O TYR A 68 6.947 3.293 -6.023 1.00 22.34 O ATOM 1116 CB TYR A 68 6.545 3.295 -8.978 1.00 13.52 C ATOM 1117 CG TYR A 68 7.679 2.374 -9.356 1.00 44.23 C ATOM 1118 CD1 TYR A 68 8.833 2.322 -8.591 1.00 31.21 C ATOM 1119 CD2 TYR A 68 7.588 1.561 -10.473 1.00 54.12 C ATOM 1120 CE1 TYR A 68 9.876 1.482 -8.929 1.00 65.54 C ATOM 1121 CE2 TYR A 68 8.623 0.716 -10.821 1.00 4.21 C ATOM 1122 CZ TYR A 68 9.767 0.680 -10.048 1.00 22.22 C ATOM 1123 OH TYR A 68 10.804 -0.161 -10.396 1.00 21.41 O ATOM 0 H TYR A 68 4.683 4.569 -8.085 1.00 74.34 H new ATOM 0 HA TYR A 68 5.178 1.765 -8.310 1.00 4.33 H new ATOM 0 HB2 TYR A 68 5.978 3.546 -9.874 1.00 13.52 H new ATOM 0 HB3 TYR A 68 6.958 4.226 -8.591 1.00 13.52 H new ATOM 0 HD1 TYR A 68 8.918 2.949 -7.716 1.00 31.21 H new ATOM 0 HD2 TYR A 68 6.695 1.588 -11.080 1.00 54.12 H new ATOM 0 HE1 TYR A 68 10.770 1.453 -8.323 1.00 65.54 H new ATOM 0 HE2 TYR A 68 8.538 0.086 -11.694 1.00 4.21 H new ATOM 0 HH TYR A 68 10.602 -1.072 -10.096 1.00 21.41 H new ATOM 1133 N HIS A 69 6.352 1.131 -6.236 1.00 23.42 N ATOM 1134 CA HIS A 69 6.995 0.712 -4.991 1.00 41.15 C ATOM 1135 C HIS A 69 8.415 0.186 -5.234 1.00 52.34 C ATOM 1136 O HIS A 69 8.609 -0.838 -5.886 1.00 15.24 O ATOM 1137 CB HIS A 69 6.163 -0.366 -4.283 1.00 13.32 C ATOM 1138 CG HIS A 69 6.832 -0.918 -3.058 1.00 42.53 C ATOM 1139 ND1 HIS A 69 7.680 -2.006 -3.093 1.00 64.53 N ATOM 1140 CD2 HIS A 69 6.793 -0.519 -1.764 1.00 62.31 C ATOM 1141 CE1 HIS A 69 8.135 -2.247 -1.879 1.00 14.53 C ATOM 1142 NE2 HIS A 69 7.615 -1.360 -1.053 1.00 32.53 N ATOM 0 H HIS A 69 5.912 0.372 -6.757 1.00 23.42 H new ATOM 0 HA HIS A 69 7.060 1.594 -4.354 1.00 41.15 H new ATOM 0 HB2 HIS A 69 5.197 0.055 -4.003 1.00 13.32 H new ATOM 0 HB3 HIS A 69 5.966 -1.180 -4.980 1.00 13.32 H new ATOM 0 HD2 HIS A 69 6.222 0.307 -1.365 1.00 62.31 H new ATOM 0 HE1 HIS A 69 8.818 -3.038 -1.607 1.00 14.53 H new ATOM 0 HE2 HIS A 69 7.794 -1.307 -0.050 1.00 32.53 H new ATOM 1151 N SER A 70 9.400 0.886 -4.688 1.00 72.33 N ATOM 1152 CA SER A 70 10.798 0.449 -4.756 1.00 22.31 C ATOM 1153 C SER A 70 11.283 0.001 -3.374 1.00 31.24 C ATOM 1154 O SER A 70 10.923 0.596 -2.358 1.00 1.33 O ATOM 1155 CB SER A 70 11.698 1.583 -5.269 1.00 54.13 C ATOM 1156 OG SER A 70 11.740 2.668 -4.351 1.00 33.22 O ATOM 0 H SER A 70 9.261 1.765 -4.189 1.00 72.33 H new ATOM 0 HA SER A 70 10.855 -0.390 -5.449 1.00 22.31 H new ATOM 0 HB2 SER A 70 12.707 1.203 -5.432 1.00 54.13 H new ATOM 0 HB3 SER A 70 11.330 1.934 -6.233 1.00 54.13 H new ATOM 0 HG SER A 70 12.322 3.373 -4.704 1.00 33.22 H new ATOM 1162 N ASP A 71 12.094 -1.052 -3.329 1.00 53.30 N ATOM 1163 CA ASP A 71 12.665 -1.522 -2.058 1.00 3.41 C ATOM 1164 C ASP A 71 13.638 -0.481 -1.473 1.00 74.52 C ATOM 1165 O ASP A 71 14.004 -0.543 -0.299 1.00 42.44 O ATOM 1166 CB ASP A 71 13.383 -2.859 -2.263 1.00 61.23 C ATOM 1167 CG ASP A 71 12.476 -3.911 -2.872 1.00 3.41 C ATOM 1168 OD1 ASP A 71 11.764 -4.609 -2.119 1.00 42.01 O ATOM 1169 OD2 ASP A 71 12.484 -4.061 -4.111 1.00 62.41 O ATOM 0 H ASP A 71 12.372 -1.596 -4.146 1.00 53.30 H new ATOM 0 HA ASP A 71 11.849 -1.662 -1.349 1.00 3.41 H new ATOM 0 HB2 ASP A 71 14.248 -2.709 -2.910 1.00 61.23 H new ATOM 0 HB3 ASP A 71 13.760 -3.217 -1.305 1.00 61.23 H new ATOM 1174 N LYS A 72 14.040 0.471 -2.315 1.00 71.14 N ATOM 1175 CA LYS A 72 14.945 1.557 -1.924 1.00 71.03 C ATOM 1176 C LYS A 72 14.377 2.372 -0.751 1.00 71.55 C ATOM 1177 O LYS A 72 14.889 2.317 0.369 1.00 13.30 O ATOM 1178 CB LYS A 72 15.178 2.484 -3.126 1.00 34.53 C ATOM 1179 CG LYS A 72 15.636 1.761 -4.392 1.00 43.41 C ATOM 1180 CD LYS A 72 15.663 2.702 -5.598 1.00 60.10 C ATOM 1181 CE LYS A 72 16.076 1.986 -6.882 1.00 55.23 C ATOM 1182 NZ LYS A 72 16.037 2.896 -8.059 1.00 3.23 N ATOM 0 H LYS A 72 13.747 0.513 -3.291 1.00 71.14 H new ATOM 0 HA LYS A 72 15.887 1.113 -1.601 1.00 71.03 H new ATOM 0 HB2 LYS A 72 14.254 3.021 -3.341 1.00 34.53 H new ATOM 0 HB3 LYS A 72 15.925 3.230 -2.856 1.00 34.53 H new ATOM 0 HG2 LYS A 72 16.630 1.343 -4.234 1.00 43.41 H new ATOM 0 HG3 LYS A 72 14.967 0.925 -4.597 1.00 43.41 H new ATOM 0 HD2 LYS A 72 14.676 3.145 -5.733 1.00 60.10 H new ATOM 0 HD3 LYS A 72 16.356 3.521 -5.402 1.00 60.10 H new ATOM 0 HE2 LYS A 72 17.083 1.584 -6.766 1.00 55.23 H new ATOM 0 HE3 LYS A 72 15.412 1.139 -7.055 1.00 55.23 H new ATOM 0 HZ1 LYS A 72 16.324 2.374 -8.911 1.00 3.23 H new ATOM 0 HZ2 LYS A 72 15.071 3.260 -8.185 1.00 3.23 H new ATOM 0 HZ3 LYS A 72 16.689 3.691 -7.905 1.00 3.23 H new ATOM 1196 N LYS A 73 13.315 3.129 -1.020 1.00 62.40 N ATOM 1197 CA LYS A 73 12.668 3.960 0.000 1.00 53.30 C ATOM 1198 C LYS A 73 11.139 3.851 -0.091 1.00 23.03 C ATOM 1199 O LYS A 73 10.419 4.818 0.157 1.00 14.03 O ATOM 1200 CB LYS A 73 13.104 5.430 -0.150 1.00 12.34 C ATOM 1201 CG LYS A 73 14.576 5.673 0.170 1.00 33.02 C ATOM 1202 CD LYS A 73 14.951 7.147 0.040 1.00 44.11 C ATOM 1203 CE LYS A 73 16.399 7.395 0.445 1.00 50.13 C ATOM 1204 NZ LYS A 73 17.358 6.667 -0.429 1.00 54.41 N ATOM 0 H LYS A 73 12.880 3.186 -1.941 1.00 62.40 H new ATOM 0 HA LYS A 73 12.980 3.597 0.979 1.00 53.30 H new ATOM 0 HB2 LYS A 73 12.906 5.755 -1.171 1.00 12.34 H new ATOM 0 HB3 LYS A 73 12.492 6.049 0.506 1.00 12.34 H new ATOM 0 HG2 LYS A 73 14.788 5.332 1.183 1.00 33.02 H new ATOM 0 HG3 LYS A 73 15.196 5.080 -0.502 1.00 33.02 H new ATOM 0 HD2 LYS A 73 14.800 7.472 -0.989 1.00 44.11 H new ATOM 0 HD3 LYS A 73 14.290 7.748 0.665 1.00 44.11 H new ATOM 0 HE2 LYS A 73 16.609 8.464 0.401 1.00 50.13 H new ATOM 0 HE3 LYS A 73 16.544 7.084 1.479 1.00 50.13 H new ATOM 0 HZ1 LYS A 73 18.328 6.968 -0.206 1.00 54.41 H new ATOM 0 HZ2 LYS A 73 17.267 5.644 -0.267 1.00 54.41 H new ATOM 0 HZ3 LYS A 73 17.150 6.879 -1.426 1.00 54.41 H new ATOM 1218 N GLY A 74 10.646 2.661 -0.429 1.00 2.45 N ATOM 1219 CA GLY A 74 9.207 2.449 -0.554 1.00 63.01 C ATOM 1220 C GLY A 74 8.624 2.986 -1.861 1.00 22.20 C ATOM 1221 O GLY A 74 8.000 2.241 -2.618 1.00 20.55 O ATOM 0 H GLY A 74 11.216 1.837 -0.619 1.00 2.45 H new ATOM 0 HA2 GLY A 74 8.997 1.382 -0.483 1.00 63.01 H new ATOM 0 HA3 GLY A 74 8.703 2.929 0.284 1.00 63.01 H new ATOM 1225 N VAL A 75 8.821 4.273 -2.131 1.00 12.33 N ATOM 1226 CA VAL A 75 8.277 4.907 -3.339 1.00 40.30 C ATOM 1227 C VAL A 75 9.379 5.471 -4.247 1.00 52.42 C ATOM 1228 O VAL A 75 10.417 5.933 -3.775 1.00 64.01 O ATOM 1229 CB VAL A 75 7.295 6.046 -2.971 1.00 63.24 C ATOM 1230 CG1 VAL A 75 6.772 6.763 -4.219 1.00 63.12 C ATOM 1231 CG2 VAL A 75 6.142 5.495 -2.144 1.00 21.44 C ATOM 0 H VAL A 75 9.354 4.903 -1.531 1.00 12.33 H new ATOM 0 HA VAL A 75 7.749 4.125 -3.885 1.00 40.30 H new ATOM 0 HB VAL A 75 7.838 6.781 -2.376 1.00 63.24 H new ATOM 0 HG11 VAL A 75 6.086 7.556 -3.922 1.00 63.12 H new ATOM 0 HG12 VAL A 75 7.609 7.194 -4.768 1.00 63.12 H new ATOM 0 HG13 VAL A 75 6.249 6.050 -4.856 1.00 63.12 H new ATOM 0 HG21 VAL A 75 5.457 6.304 -1.890 1.00 21.44 H new ATOM 0 HG22 VAL A 75 5.611 4.737 -2.720 1.00 21.44 H new ATOM 0 HG23 VAL A 75 6.531 5.049 -1.229 1.00 21.44 H new ATOM 1241 N SER A 76 9.141 5.424 -5.556 1.00 3.32 N ATOM 1242 CA SER A 76 10.062 6.021 -6.536 1.00 23.31 C ATOM 1243 C SER A 76 9.318 6.979 -7.483 1.00 42.03 C ATOM 1244 O SER A 76 9.838 8.037 -7.849 1.00 51.44 O ATOM 1245 CB SER A 76 10.765 4.928 -7.348 1.00 10.32 C ATOM 1246 OG SER A 76 11.711 5.478 -8.253 1.00 5.32 O ATOM 0 H SER A 76 8.320 4.980 -5.968 1.00 3.32 H new ATOM 0 HA SER A 76 10.810 6.592 -5.985 1.00 23.31 H new ATOM 0 HB2 SER A 76 11.267 4.237 -6.671 1.00 10.32 H new ATOM 0 HB3 SER A 76 10.024 4.351 -7.901 1.00 10.32 H new ATOM 0 HG SER A 76 12.143 4.755 -8.754 1.00 5.32 H new ATOM 1252 N ALA A 77 8.093 6.604 -7.868 1.00 43.21 N ATOM 1253 CA ALA A 77 7.255 7.434 -8.750 1.00 41.55 C ATOM 1254 C ALA A 77 5.757 7.220 -8.461 1.00 14.11 C ATOM 1255 O ALA A 77 5.382 6.257 -7.789 1.00 53.43 O ATOM 1256 CB ALA A 77 7.563 7.128 -10.213 1.00 72.15 C ATOM 0 H ALA A 77 7.656 5.728 -7.583 1.00 43.21 H new ATOM 0 HA ALA A 77 7.488 8.480 -8.551 1.00 41.55 H new ATOM 0 HB1 ALA A 77 6.937 7.748 -10.854 1.00 72.15 H new ATOM 0 HB2 ALA A 77 8.613 7.340 -10.416 1.00 72.15 H new ATOM 0 HB3 ALA A 77 7.360 6.076 -10.415 1.00 72.15 H new ATOM 1262 N TRP A 78 4.906 8.117 -8.969 1.00 4.15 N ATOM 1263 CA TRP A 78 3.453 8.032 -8.734 1.00 4.44 C ATOM 1264 C TRP A 78 2.636 8.704 -9.853 1.00 21.23 C ATOM 1265 O TRP A 78 2.954 9.805 -10.302 1.00 22.30 O ATOM 1266 CB TRP A 78 3.090 8.645 -7.365 1.00 33.14 C ATOM 1267 CG TRP A 78 3.809 9.932 -7.048 1.00 3.02 C ATOM 1268 CD1 TRP A 78 5.058 10.050 -6.512 1.00 31.21 C ATOM 1269 CD2 TRP A 78 3.324 11.273 -7.224 1.00 71.21 C ATOM 1270 NE1 TRP A 78 5.386 11.373 -6.357 1.00 54.42 N ATOM 1271 CE2 TRP A 78 4.339 12.143 -6.781 1.00 75.23 C ATOM 1272 CE3 TRP A 78 2.134 11.824 -7.714 1.00 13.41 C ATOM 1273 CZ2 TRP A 78 4.203 13.528 -6.816 1.00 31.03 C ATOM 1274 CZ3 TRP A 78 2.001 13.200 -7.748 1.00 25.42 C ATOM 1275 CH2 TRP A 78 3.030 14.038 -7.297 1.00 53.44 C ATOM 0 H TRP A 78 5.192 8.909 -9.544 1.00 4.15 H new ATOM 0 HA TRP A 78 3.192 6.974 -8.735 1.00 4.44 H new ATOM 0 HB2 TRP A 78 2.016 8.827 -7.335 1.00 33.14 H new ATOM 0 HB3 TRP A 78 3.312 7.917 -6.584 1.00 33.14 H new ATOM 0 HD1 TRP A 78 5.697 9.221 -6.248 1.00 31.21 H new ATOM 0 HE1 TRP A 78 6.268 11.725 -5.986 1.00 54.42 H new ATOM 0 HE3 TRP A 78 1.334 11.186 -8.059 1.00 13.41 H new ATOM 0 HZ2 TRP A 78 4.996 14.176 -6.475 1.00 31.03 H new ATOM 0 HZ3 TRP A 78 1.089 13.636 -8.128 1.00 25.42 H new ATOM 0 HH2 TRP A 78 2.893 15.109 -7.330 1.00 53.44 H new ATOM 1286 N GLU A 79 1.586 8.019 -10.301 1.00 42.03 N ATOM 1287 CA GLU A 79 0.675 8.538 -11.332 1.00 11.41 C ATOM 1288 C GLU A 79 -0.721 8.776 -10.729 1.00 32.43 C ATOM 1289 O GLU A 79 -1.151 8.022 -9.863 1.00 14.34 O ATOM 1290 CB GLU A 79 0.577 7.527 -12.487 1.00 54.55 C ATOM 1291 CG GLU A 79 1.931 7.091 -13.048 1.00 4.42 C ATOM 1292 CD GLU A 79 1.815 5.960 -14.059 1.00 53.24 C ATOM 1293 OE1 GLU A 79 1.514 6.240 -15.237 1.00 75.24 O ATOM 1294 OE2 GLU A 79 2.028 4.785 -13.680 1.00 43.14 O ATOM 0 H GLU A 79 1.339 7.089 -9.963 1.00 42.03 H new ATOM 0 HA GLU A 79 1.063 9.484 -11.710 1.00 11.41 H new ATOM 0 HB2 GLU A 79 0.038 6.645 -12.140 1.00 54.55 H new ATOM 0 HB3 GLU A 79 -0.014 7.966 -13.291 1.00 54.55 H new ATOM 0 HG2 GLU A 79 2.416 7.946 -13.520 1.00 4.42 H new ATOM 0 HG3 GLU A 79 2.574 6.774 -12.227 1.00 4.42 H new ATOM 1301 N GLU A 80 -1.435 9.807 -11.180 1.00 20.41 N ATOM 1302 CA GLU A 80 -2.754 10.125 -10.609 1.00 61.52 C ATOM 1303 C GLU A 80 -3.906 9.543 -11.444 1.00 62.54 C ATOM 1304 O GLU A 80 -3.923 9.656 -12.674 1.00 15.53 O ATOM 1305 CB GLU A 80 -2.939 11.640 -10.464 1.00 42.13 C ATOM 1306 CG GLU A 80 -4.223 12.024 -9.728 1.00 4.45 C ATOM 1307 CD GLU A 80 -4.433 13.526 -9.647 1.00 5.11 C ATOM 1308 OE1 GLU A 80 -3.733 14.190 -8.855 1.00 0.31 O ATOM 1309 OE2 GLU A 80 -5.297 14.054 -10.382 1.00 44.32 O ATOM 0 H GLU A 80 -1.133 10.431 -11.928 1.00 20.41 H new ATOM 0 HA GLU A 80 -2.785 9.661 -9.623 1.00 61.52 H new ATOM 0 HB2 GLU A 80 -2.084 12.054 -9.929 1.00 42.13 H new ATOM 0 HB3 GLU A 80 -2.946 12.095 -11.455 1.00 42.13 H new ATOM 0 HG2 GLU A 80 -5.075 11.570 -10.234 1.00 4.45 H new ATOM 0 HG3 GLU A 80 -4.195 11.612 -8.719 1.00 4.45 H new ATOM 1316 N VAL A 81 -4.871 8.927 -10.761 1.00 0.15 N ATOM 1317 CA VAL A 81 -6.059 8.348 -11.403 1.00 43.11 C ATOM 1318 C VAL A 81 -7.294 8.444 -10.486 1.00 63.42 C ATOM 1319 O VAL A 81 -7.193 8.818 -9.317 1.00 73.12 O ATOM 1320 CB VAL A 81 -5.847 6.856 -11.797 1.00 75.40 C ATOM 1321 CG1 VAL A 81 -4.809 6.711 -12.911 1.00 41.41 C ATOM 1322 CG2 VAL A 81 -5.450 6.024 -10.577 1.00 41.04 C ATOM 0 H VAL A 81 -4.854 8.814 -9.747 1.00 0.15 H new ATOM 0 HA VAL A 81 -6.226 8.931 -12.309 1.00 43.11 H new ATOM 0 HB VAL A 81 -6.796 6.479 -12.178 1.00 75.40 H new ATOM 0 HG11 VAL A 81 -4.687 5.657 -13.160 1.00 41.41 H new ATOM 0 HG12 VAL A 81 -5.144 7.256 -13.794 1.00 41.41 H new ATOM 0 HG13 VAL A 81 -3.855 7.117 -12.575 1.00 41.41 H new ATOM 0 HG21 VAL A 81 -5.307 4.985 -10.876 1.00 41.04 H new ATOM 0 HG22 VAL A 81 -4.521 6.412 -10.158 1.00 41.04 H new ATOM 0 HG23 VAL A 81 -6.238 6.080 -9.826 1.00 41.04 H new ATOM 1332 N LYS A 82 -8.461 8.128 -11.033 1.00 34.24 N ATOM 1333 CA LYS A 82 -9.701 8.039 -10.249 1.00 24.33 C ATOM 1334 C LYS A 82 -10.185 6.590 -10.168 1.00 41.32 C ATOM 1335 O LYS A 82 -9.752 5.743 -10.952 1.00 21.12 O ATOM 1336 CB LYS A 82 -10.805 8.877 -10.896 1.00 42.11 C ATOM 1337 CG LYS A 82 -10.522 10.369 -10.937 1.00 33.14 C ATOM 1338 CD LYS A 82 -11.630 11.116 -11.668 1.00 60.10 C ATOM 1339 CE LYS A 82 -11.430 12.619 -11.602 1.00 22.45 C ATOM 1340 NZ LYS A 82 -10.155 13.044 -12.240 1.00 31.31 N ATOM 0 H LYS A 82 -8.582 7.926 -12.025 1.00 34.24 H new ATOM 0 HA LYS A 82 -9.486 8.414 -9.248 1.00 24.33 H new ATOM 0 HB2 LYS A 82 -10.963 8.522 -11.914 1.00 42.11 H new ATOM 0 HB3 LYS A 82 -11.735 8.711 -10.352 1.00 42.11 H new ATOM 0 HG2 LYS A 82 -10.429 10.753 -9.921 1.00 33.14 H new ATOM 0 HG3 LYS A 82 -9.569 10.548 -11.434 1.00 33.14 H new ATOM 0 HD2 LYS A 82 -11.658 10.798 -12.710 1.00 60.10 H new ATOM 0 HD3 LYS A 82 -12.594 10.857 -11.230 1.00 60.10 H new ATOM 0 HE2 LYS A 82 -12.265 13.117 -12.095 1.00 22.45 H new ATOM 0 HE3 LYS A 82 -11.438 12.940 -10.560 1.00 22.45 H new ATOM 0 HZ1 LYS A 82 -10.115 14.083 -12.278 1.00 31.31 H new ATOM 0 HZ2 LYS A 82 -9.352 12.687 -11.683 1.00 31.31 H new ATOM 0 HZ3 LYS A 82 -10.105 12.660 -13.205 1.00 31.31 H new ATOM 1354 N LYS A 83 -11.104 6.299 -9.246 1.00 34.23 N ATOM 1355 CA LYS A 83 -11.736 4.975 -9.225 1.00 73.23 C ATOM 1356 C LYS A 83 -12.600 4.793 -10.485 1.00 4.52 C ATOM 1357 O LYS A 83 -12.882 3.671 -10.905 1.00 35.21 O ATOM 1358 CB LYS A 83 -12.565 4.747 -7.940 1.00 21.51 C ATOM 1359 CG LYS A 83 -14.002 5.267 -7.976 1.00 41.23 C ATOM 1360 CD LYS A 83 -14.085 6.789 -8.000 1.00 61.24 C ATOM 1361 CE LYS A 83 -15.532 7.262 -7.950 1.00 73.32 C ATOM 1362 NZ LYS A 83 -15.641 8.737 -8.075 1.00 13.23 N ATOM 0 H LYS A 83 -11.422 6.942 -8.521 1.00 34.23 H new ATOM 0 HA LYS A 83 -10.947 4.222 -9.222 1.00 73.23 H new ATOM 0 HB2 LYS A 83 -12.590 3.677 -7.731 1.00 21.51 H new ATOM 0 HB3 LYS A 83 -12.047 5.222 -7.107 1.00 21.51 H new ATOM 0 HG2 LYS A 83 -14.505 4.867 -8.857 1.00 41.23 H new ATOM 0 HG3 LYS A 83 -14.540 4.893 -7.105 1.00 41.23 H new ATOM 0 HD2 LYS A 83 -13.536 7.199 -7.152 1.00 61.24 H new ATOM 0 HD3 LYS A 83 -13.607 7.168 -8.903 1.00 61.24 H new ATOM 0 HE2 LYS A 83 -16.096 6.788 -8.753 1.00 73.32 H new ATOM 0 HE3 LYS A 83 -15.985 6.944 -7.011 1.00 73.32 H new ATOM 0 HZ1 LYS A 83 -16.638 9.020 -7.985 1.00 13.23 H new ATOM 0 HZ2 LYS A 83 -15.083 9.191 -7.324 1.00 13.23 H new ATOM 0 HZ3 LYS A 83 -15.279 9.034 -9.004 1.00 13.23 H new ATOM 1376 N ASP A 84 -12.985 5.920 -11.105 1.00 65.12 N ATOM 1377 CA ASP A 84 -13.720 5.902 -12.375 1.00 74.24 C ATOM 1378 C ASP A 84 -12.806 5.471 -13.538 1.00 73.31 C ATOM 1379 O ASP A 84 -13.277 5.153 -14.631 1.00 51.23 O ATOM 1380 CB ASP A 84 -14.303 7.292 -12.664 1.00 71.22 C ATOM 1381 CG ASP A 84 -15.140 7.821 -11.513 1.00 62.41 C ATOM 1382 OD1 ASP A 84 -16.329 7.458 -11.416 1.00 62.02 O ATOM 1383 OD2 ASP A 84 -14.605 8.601 -10.695 1.00 64.51 O ATOM 0 H ASP A 84 -12.798 6.856 -10.745 1.00 65.12 H new ATOM 0 HA ASP A 84 -14.530 5.178 -12.287 1.00 74.24 H new ATOM 0 HB2 ASP A 84 -13.490 7.989 -12.868 1.00 71.22 H new ATOM 0 HB3 ASP A 84 -14.916 7.246 -13.564 1.00 71.22 H new ATOM 1388 N GLU A 85 -11.495 5.471 -13.297 1.00 44.11 N ATOM 1389 CA GLU A 85 -10.508 5.113 -14.325 1.00 32.20 C ATOM 1390 C GLU A 85 -9.862 3.746 -14.035 1.00 33.12 C ATOM 1391 O GLU A 85 -8.903 3.346 -14.699 1.00 72.20 O ATOM 1392 CB GLU A 85 -9.433 6.204 -14.400 1.00 74.11 C ATOM 1393 CG GLU A 85 -10.005 7.616 -14.535 1.00 64.12 C ATOM 1394 CD GLU A 85 -8.929 8.673 -14.722 1.00 61.41 C ATOM 1395 OE1 GLU A 85 -8.324 9.098 -13.719 1.00 12.25 O ATOM 1396 OE2 GLU A 85 -8.683 9.081 -15.875 1.00 65.22 O ATOM 0 H GLU A 85 -11.087 5.716 -12.395 1.00 44.11 H new ATOM 0 HA GLU A 85 -11.021 5.036 -15.284 1.00 32.20 H new ATOM 0 HB2 GLU A 85 -8.814 6.155 -13.504 1.00 74.11 H new ATOM 0 HB3 GLU A 85 -8.780 6.002 -15.249 1.00 74.11 H new ATOM 0 HG2 GLU A 85 -10.689 7.646 -15.383 1.00 64.12 H new ATOM 0 HG3 GLU A 85 -10.589 7.853 -13.646 1.00 64.12 H new ATOM 1403 N LEU A 86 -10.394 3.038 -13.040 1.00 3.13 N ATOM 1404 CA LEU A 86 -9.887 1.714 -12.659 1.00 51.35 C ATOM 1405 C LEU A 86 -10.849 0.600 -13.106 1.00 20.15 C ATOM 1406 O LEU A 86 -12.047 0.647 -12.812 1.00 73.05 O ATOM 1407 CB LEU A 86 -9.674 1.649 -11.139 1.00 21.31 C ATOM 1408 CG LEU A 86 -8.665 2.665 -10.573 1.00 3.04 C ATOM 1409 CD1 LEU A 86 -8.564 2.546 -9.054 1.00 32.44 C ATOM 1410 CD2 LEU A 86 -7.292 2.491 -11.223 1.00 74.42 C ATOM 0 H LEU A 86 -11.182 3.359 -12.477 1.00 3.13 H new ATOM 0 HA LEU A 86 -8.933 1.559 -13.163 1.00 51.35 H new ATOM 0 HB2 LEU A 86 -10.634 1.803 -10.647 1.00 21.31 H new ATOM 0 HB3 LEU A 86 -9.339 0.645 -10.878 1.00 21.31 H new ATOM 0 HG LEU A 86 -9.028 3.665 -10.810 1.00 3.04 H new ATOM 0 HD11 LEU A 86 -7.845 3.274 -8.679 1.00 32.44 H new ATOM 0 HD12 LEU A 86 -9.540 2.737 -8.608 1.00 32.44 H new ATOM 0 HD13 LEU A 86 -8.235 1.541 -8.789 1.00 32.44 H new ATOM 0 HD21 LEU A 86 -6.597 3.220 -10.806 1.00 74.42 H new ATOM 0 HD22 LEU A 86 -6.922 1.484 -11.028 1.00 74.42 H new ATOM 0 HD23 LEU A 86 -7.377 2.644 -12.299 1.00 74.42 H new ATOM 1422 N PRO A 87 -10.336 -0.416 -13.834 1.00 43.34 N ATOM 1423 CA PRO A 87 -11.153 -1.550 -14.312 1.00 2.12 C ATOM 1424 C PRO A 87 -11.792 -2.361 -13.166 1.00 1.40 C ATOM 1425 O PRO A 87 -11.109 -2.769 -12.220 1.00 30.04 O ATOM 1426 CB PRO A 87 -10.147 -2.417 -15.093 1.00 23.01 C ATOM 1427 CG PRO A 87 -9.014 -1.498 -15.418 1.00 2.05 C ATOM 1428 CD PRO A 87 -8.929 -0.537 -14.264 1.00 4.01 C ATOM 0 HA PRO A 87 -11.998 -1.208 -14.909 1.00 2.12 H new ATOM 0 HB2 PRO A 87 -9.809 -3.264 -14.496 1.00 23.01 H new ATOM 0 HB3 PRO A 87 -10.597 -2.824 -15.998 1.00 23.01 H new ATOM 0 HG2 PRO A 87 -8.082 -2.051 -15.537 1.00 2.05 H new ATOM 0 HG3 PRO A 87 -9.193 -0.971 -16.355 1.00 2.05 H new ATOM 0 HD2 PRO A 87 -8.294 -0.919 -13.465 1.00 4.01 H new ATOM 0 HD3 PRO A 87 -8.515 0.424 -14.568 1.00 4.01 H new ATOM 1436 N ALA A 88 -13.100 -2.606 -13.268 1.00 21.43 N ATOM 1437 CA ALA A 88 -13.841 -3.354 -12.242 1.00 50.00 C ATOM 1438 C ALA A 88 -13.241 -4.749 -11.998 1.00 71.10 C ATOM 1439 O ALA A 88 -13.240 -5.248 -10.871 1.00 33.23 O ATOM 1440 CB ALA A 88 -15.310 -3.469 -12.636 1.00 53.43 C ATOM 0 H ALA A 88 -13.673 -2.297 -14.053 1.00 21.43 H new ATOM 0 HA ALA A 88 -13.760 -2.799 -11.307 1.00 50.00 H new ATOM 0 HB1 ALA A 88 -15.850 -4.025 -11.869 1.00 53.43 H new ATOM 0 HB2 ALA A 88 -15.740 -2.472 -12.732 1.00 53.43 H new ATOM 0 HB3 ALA A 88 -15.391 -3.993 -13.589 1.00 53.43 H new ATOM 1446 N LYS A 89 -12.718 -5.364 -13.057 1.00 32.33 N ATOM 1447 CA LYS A 89 -12.058 -6.671 -12.950 1.00 44.30 C ATOM 1448 C LYS A 89 -10.900 -6.625 -11.939 1.00 74.54 C ATOM 1449 O LYS A 89 -10.747 -7.520 -11.108 1.00 25.53 O ATOM 1450 CB LYS A 89 -11.547 -7.114 -14.328 1.00 24.40 C ATOM 1451 CG LYS A 89 -10.869 -8.479 -14.333 1.00 3.32 C ATOM 1452 CD LYS A 89 -10.499 -8.925 -15.747 1.00 10.23 C ATOM 1453 CE LYS A 89 -9.898 -10.327 -15.763 1.00 33.01 C ATOM 1454 NZ LYS A 89 -10.803 -11.324 -15.131 1.00 62.42 N ATOM 0 H LYS A 89 -12.737 -4.980 -14.002 1.00 32.33 H new ATOM 0 HA LYS A 89 -12.788 -7.396 -12.591 1.00 44.30 H new ATOM 0 HB2 LYS A 89 -12.385 -7.134 -15.025 1.00 24.40 H new ATOM 0 HB3 LYS A 89 -10.843 -6.369 -14.699 1.00 24.40 H new ATOM 0 HG2 LYS A 89 -9.970 -8.440 -13.717 1.00 3.32 H new ATOM 0 HG3 LYS A 89 -11.533 -9.216 -13.882 1.00 3.32 H new ATOM 0 HD2 LYS A 89 -11.387 -8.904 -16.378 1.00 10.23 H new ATOM 0 HD3 LYS A 89 -9.787 -8.220 -16.175 1.00 10.23 H new ATOM 0 HE2 LYS A 89 -9.693 -10.623 -16.792 1.00 33.01 H new ATOM 0 HE3 LYS A 89 -8.943 -10.319 -15.238 1.00 33.01 H new ATOM 0 HZ1 LYS A 89 -10.490 -12.284 -15.380 1.00 62.42 H new ATOM 0 HZ2 LYS A 89 -10.778 -11.209 -14.098 1.00 62.42 H new ATOM 0 HZ3 LYS A 89 -11.774 -11.177 -15.472 1.00 62.42 H new ATOM 1468 N VAL A 90 -10.096 -5.567 -12.013 1.00 51.02 N ATOM 1469 CA VAL A 90 -8.997 -5.357 -11.065 1.00 45.13 C ATOM 1470 C VAL A 90 -9.544 -5.018 -9.667 1.00 32.31 C ATOM 1471 O VAL A 90 -9.009 -5.459 -8.648 1.00 54.30 O ATOM 1472 CB VAL A 90 -8.059 -4.216 -11.542 1.00 0.54 C ATOM 1473 CG1 VAL A 90 -6.875 -4.038 -10.590 1.00 72.04 C ATOM 1474 CG2 VAL A 90 -7.577 -4.473 -12.970 1.00 72.34 C ATOM 0 H VAL A 90 -10.183 -4.838 -12.721 1.00 51.02 H new ATOM 0 HA VAL A 90 -8.426 -6.284 -11.013 1.00 45.13 H new ATOM 0 HB VAL A 90 -8.631 -3.288 -11.537 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -6.236 -3.232 -10.951 1.00 72.04 H new ATOM 0 HG12 VAL A 90 -7.243 -3.792 -9.594 1.00 72.04 H new ATOM 0 HG13 VAL A 90 -6.301 -4.964 -10.546 1.00 72.04 H new ATOM 0 HG21 VAL A 90 -6.921 -3.661 -13.284 1.00 72.34 H new ATOM 0 HG22 VAL A 90 -7.031 -5.415 -13.006 1.00 72.34 H new ATOM 0 HG23 VAL A 90 -8.435 -4.526 -13.640 1.00 72.34 H new ATOM 1484 N LYS A 91 -10.627 -4.242 -9.637 1.00 34.22 N ATOM 1485 CA LYS A 91 -11.295 -3.864 -8.386 1.00 35.21 C ATOM 1486 C LYS A 91 -11.779 -5.110 -7.616 1.00 22.23 C ATOM 1487 O LYS A 91 -11.721 -5.154 -6.385 1.00 51.24 O ATOM 1488 CB LYS A 91 -12.462 -2.909 -8.711 1.00 63.11 C ATOM 1489 CG LYS A 91 -13.140 -2.264 -7.500 1.00 33.35 C ATOM 1490 CD LYS A 91 -14.228 -3.152 -6.895 1.00 13.54 C ATOM 1491 CE LYS A 91 -14.972 -2.440 -5.772 1.00 73.21 C ATOM 1492 NZ LYS A 91 -16.076 -3.267 -5.217 1.00 55.42 N ATOM 0 H LYS A 91 -11.067 -3.858 -10.473 1.00 34.22 H new ATOM 0 HA LYS A 91 -10.586 -3.350 -7.736 1.00 35.21 H new ATOM 0 HB2 LYS A 91 -12.091 -2.118 -9.362 1.00 63.11 H new ATOM 0 HB3 LYS A 91 -13.214 -3.460 -9.276 1.00 63.11 H new ATOM 0 HG2 LYS A 91 -12.389 -2.047 -6.740 1.00 33.35 H new ATOM 0 HG3 LYS A 91 -13.577 -1.311 -7.798 1.00 33.35 H new ATOM 0 HD2 LYS A 91 -14.934 -3.444 -7.672 1.00 13.54 H new ATOM 0 HD3 LYS A 91 -13.779 -4.068 -6.511 1.00 13.54 H new ATOM 0 HE2 LYS A 91 -14.271 -2.191 -4.975 1.00 73.21 H new ATOM 0 HE3 LYS A 91 -15.377 -1.500 -6.146 1.00 73.21 H new ATOM 0 HZ1 LYS A 91 -16.554 -2.743 -4.456 1.00 55.42 H new ATOM 0 HZ2 LYS A 91 -16.760 -3.484 -5.970 1.00 55.42 H new ATOM 0 HZ3 LYS A 91 -15.688 -4.153 -4.836 1.00 55.42 H new