USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 548 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 173 HIS : no HE2:sc= 0.478 K(o=0.9,f=-3.1!) USER MOD Set 1.2: A 175 CYS SG : rot -83:sc= 0.42 USER MOD Set 2.1: A 124 TYR OH : rot 6:sc= 0.806 USER MOD Set 2.2: A 128 TYR OH : rot -155:sc= 0.56 USER MOD Set 2.3: A 165 GLN :FLIP amide:sc= 0 F(o=-0.46,f=0.51) USER MOD Set 2.4: A 168 HIS : no HD1:sc= -0.852 K(o=0.51,f=-4.1!) USER MOD Set 3.1: A 119 HIS :FLIP no HD1:sc= -0.679 F(o=-3.8!,f=-3) USER MOD Set 3.2: A 120 HIS : no HE2:sc= -1.33! C(o=-3!,f=-10!) USER MOD Set 3.3: A 171 ASN :FLIP amide:sc= -0.991 F(o=-6.9!,f=-3) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.05) USER MOD Single : A 127 GLN : amide:sc= 0.704 K(o=0.7,f=-0.15) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl -111:sc= -0.734 (180deg=-1.84!) USER MOD Single : A 152 THR OG1 : rot 180:sc= -3.01! USER MOD Single : A 156 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.16) USER MOD Single : A 158 SER OG : rot 170:sc= -1.18! USER MOD Single : A 161 LYS NZ :NH3+ 156:sc= 2.48 (180deg=0.502) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 180:sc=-0.00126 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -2! C(o=-2!,f=-5.6!) USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 106:sc= 1.26 USER MOD Single : A 183 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0943) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 MET CE :methyl 148:sc= -0.141 (180deg=-0.583) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.147 -14.210 5.427 1.00 12.35 N ATOM 137 CA VAL A 104 19.952 -14.098 4.616 1.00 53.05 C ATOM 138 C VAL A 104 20.310 -14.120 3.135 1.00 73.32 C ATOM 139 O VAL A 104 21.344 -13.588 2.729 1.00 44.01 O ATOM 140 CB VAL A 104 19.178 -12.809 4.970 1.00 74.20 C ATOM 141 CG1 VAL A 104 20.008 -11.571 4.667 1.00 13.13 C ATOM 142 CG2 VAL A 104 17.837 -12.752 4.254 1.00 13.23 C ATOM 0 HA VAL A 104 19.309 -14.953 4.826 1.00 53.05 H new ATOM 0 HB VAL A 104 18.981 -12.829 6.042 1.00 74.20 H new ATOM 0 HG11 VAL A 104 19.438 -10.679 4.926 1.00 13.13 H new ATOM 0 HG12 VAL A 104 20.927 -11.597 5.252 1.00 13.13 H new ATOM 0 HG13 VAL A 104 20.254 -11.549 3.605 1.00 13.13 H new ATOM 0 HG21 VAL A 104 17.318 -11.832 4.525 1.00 13.23 H new ATOM 0 HG22 VAL A 104 17.999 -12.773 3.176 1.00 13.23 H new ATOM 0 HG23 VAL A 104 17.232 -13.610 4.547 1.00 13.23 H new ATOM 152 N LYS A 105 19.467 -14.761 2.340 1.00 54.11 N ATOM 153 CA LYS A 105 19.718 -14.900 0.915 1.00 43.31 C ATOM 154 C LYS A 105 18.618 -14.251 0.091 1.00 33.15 C ATOM 155 O LYS A 105 18.676 -14.242 -1.132 1.00 52.43 O ATOM 156 CB LYS A 105 19.852 -16.376 0.555 1.00 14.32 C ATOM 157 CG LYS A 105 21.141 -16.998 1.060 1.00 1.04 C ATOM 158 CD LYS A 105 20.972 -18.476 1.336 1.00 31.14 C ATOM 159 CE LYS A 105 20.062 -18.706 2.530 1.00 64.34 C ATOM 160 NZ LYS A 105 19.834 -20.153 2.774 1.00 4.35 N ATOM 0 H LYS A 105 18.601 -15.194 2.659 1.00 54.11 H new ATOM 0 HA LYS A 105 20.651 -14.386 0.682 1.00 43.31 H new ATOM 0 HB2 LYS A 105 19.005 -16.923 0.969 1.00 14.32 H new ATOM 0 HB3 LYS A 105 19.803 -16.485 -0.528 1.00 14.32 H new ATOM 0 HG2 LYS A 105 21.930 -16.852 0.322 1.00 1.04 H new ATOM 0 HG3 LYS A 105 21.459 -16.491 1.971 1.00 1.04 H new ATOM 0 HD2 LYS A 105 20.556 -18.969 0.457 1.00 31.14 H new ATOM 0 HD3 LYS A 105 21.946 -18.928 1.524 1.00 31.14 H new ATOM 0 HE2 LYS A 105 20.504 -18.252 3.417 1.00 64.34 H new ATOM 0 HE3 LYS A 105 19.106 -18.210 2.360 1.00 64.34 H new ATOM 0 HZ1 LYS A 105 19.208 -20.272 3.596 1.00 4.35 H new ATOM 0 HZ2 LYS A 105 19.390 -20.581 1.936 1.00 4.35 H new ATOM 0 HZ3 LYS A 105 20.744 -20.621 2.960 1.00 4.35 H new ATOM 174 N LYS A 106 17.615 -13.709 0.755 1.00 11.01 N ATOM 175 CA LYS A 106 16.558 -12.997 0.060 1.00 4.43 C ATOM 176 C LYS A 106 16.421 -11.595 0.624 1.00 74.44 C ATOM 177 O LYS A 106 16.423 -11.396 1.838 1.00 65.35 O ATOM 178 CB LYS A 106 15.228 -13.750 0.146 1.00 31.33 C ATOM 179 CG LYS A 106 14.081 -13.030 -0.550 1.00 15.14 C ATOM 180 CD LYS A 106 13.014 -14.000 -1.029 1.00 54.21 C ATOM 181 CE LYS A 106 12.378 -14.762 0.118 1.00 43.45 C ATOM 182 NZ LYS A 106 11.485 -15.842 -0.369 1.00 30.44 N ATOM 0 H LYS A 106 17.509 -13.747 1.769 1.00 11.01 H new ATOM 0 HA LYS A 106 16.827 -12.929 -0.994 1.00 4.43 H new ATOM 0 HB2 LYS A 106 15.349 -14.739 -0.297 1.00 31.33 H new ATOM 0 HB3 LYS A 106 14.971 -13.900 1.195 1.00 31.33 H new ATOM 0 HG2 LYS A 106 13.635 -12.309 0.135 1.00 15.14 H new ATOM 0 HG3 LYS A 106 14.467 -12.466 -1.399 1.00 15.14 H new ATOM 0 HD2 LYS A 106 12.243 -13.452 -1.571 1.00 54.21 H new ATOM 0 HD3 LYS A 106 13.456 -14.706 -1.732 1.00 54.21 H new ATOM 0 HE2 LYS A 106 13.158 -15.191 0.747 1.00 43.45 H new ATOM 0 HE3 LYS A 106 11.809 -14.073 0.742 1.00 43.45 H new ATOM 0 HZ1 LYS A 106 10.904 -16.194 0.419 1.00 30.44 H new ATOM 0 HZ2 LYS A 106 10.866 -15.470 -1.117 1.00 30.44 H new ATOM 0 HZ3 LYS A 106 12.059 -16.621 -0.751 1.00 30.44 H new ATOM 196 N ILE A 107 16.327 -10.626 -0.261 1.00 50.14 N ATOM 197 CA ILE A 107 16.227 -9.241 0.150 1.00 40.44 C ATOM 198 C ILE A 107 14.822 -8.705 -0.075 1.00 1.20 C ATOM 199 O ILE A 107 14.033 -9.285 -0.825 1.00 14.44 O ATOM 200 CB ILE A 107 17.216 -8.357 -0.614 1.00 45.03 C ATOM 201 CG1 ILE A 107 16.844 -8.327 -2.087 1.00 55.12 C ATOM 202 CG2 ILE A 107 18.636 -8.867 -0.436 1.00 12.11 C ATOM 203 CD1 ILE A 107 17.326 -7.090 -2.776 1.00 24.31 C ATOM 0 H ILE A 107 16.318 -10.771 -1.271 1.00 50.14 H new ATOM 0 HA ILE A 107 16.466 -9.211 1.213 1.00 40.44 H new ATOM 0 HB ILE A 107 17.166 -7.344 -0.214 1.00 45.03 H new ATOM 0 HG12 ILE A 107 17.265 -9.202 -2.582 1.00 55.12 H new ATOM 0 HG13 ILE A 107 15.761 -8.395 -2.186 1.00 55.12 H new ATOM 0 HG21 ILE A 107 19.325 -8.226 -0.986 1.00 12.11 H new ATOM 0 HG22 ILE A 107 18.897 -8.856 0.622 1.00 12.11 H new ATOM 0 HG23 ILE A 107 18.707 -9.886 -0.816 1.00 12.11 H new ATOM 0 HD11 ILE A 107 17.033 -7.121 -3.825 1.00 24.31 H new ATOM 0 HD12 ILE A 107 16.885 -6.214 -2.301 1.00 24.31 H new ATOM 0 HD13 ILE A 107 18.412 -7.033 -2.704 1.00 24.31 H new ATOM 215 N PHE A 108 14.527 -7.595 0.572 1.00 21.41 N ATOM 216 CA PHE A 108 13.233 -6.950 0.461 1.00 65.54 C ATOM 217 C PHE A 108 13.384 -5.604 -0.226 1.00 51.54 C ATOM 218 O PHE A 108 14.107 -4.734 0.258 1.00 60.11 O ATOM 219 CB PHE A 108 12.607 -6.766 1.849 1.00 60.22 C ATOM 220 CG PHE A 108 11.394 -5.873 1.855 1.00 64.31 C ATOM 221 CD1 PHE A 108 10.196 -6.301 1.309 1.00 22.05 C ATOM 222 CD2 PHE A 108 11.456 -4.606 2.413 1.00 71.14 C ATOM 223 CE1 PHE A 108 9.084 -5.482 1.315 1.00 3.30 C ATOM 224 CE2 PHE A 108 10.346 -3.783 2.421 1.00 72.15 C ATOM 225 CZ PHE A 108 9.159 -4.222 1.872 1.00 44.35 C ATOM 0 H PHE A 108 15.179 -7.114 1.191 1.00 21.41 H new ATOM 0 HA PHE A 108 12.575 -7.583 -0.135 1.00 65.54 H new ATOM 0 HB2 PHE A 108 12.329 -7.743 2.245 1.00 60.22 H new ATOM 0 HB3 PHE A 108 13.356 -6.350 2.523 1.00 60.22 H new ATOM 0 HD1 PHE A 108 10.130 -7.287 0.873 1.00 22.05 H new ATOM 0 HD2 PHE A 108 12.382 -4.258 2.846 1.00 71.14 H new ATOM 0 HE1 PHE A 108 8.156 -5.828 0.884 1.00 3.30 H new ATOM 0 HE2 PHE A 108 10.408 -2.797 2.857 1.00 72.15 H new ATOM 0 HZ PHE A 108 8.290 -3.581 1.878 1.00 44.35 H new ATOM 235 N VAL A 109 12.724 -5.452 -1.360 1.00 43.21 N ATOM 236 CA VAL A 109 12.733 -4.194 -2.086 1.00 65.44 C ATOM 237 C VAL A 109 11.362 -3.536 -1.999 1.00 21.45 C ATOM 238 O VAL A 109 10.409 -3.984 -2.634 1.00 4.34 O ATOM 239 CB VAL A 109 13.106 -4.395 -3.568 1.00 52.13 C ATOM 240 CG1 VAL A 109 13.351 -3.057 -4.248 1.00 40.21 C ATOM 241 CG2 VAL A 109 14.321 -5.300 -3.701 1.00 13.31 C ATOM 0 H VAL A 109 12.172 -6.188 -1.800 1.00 43.21 H new ATOM 0 HA VAL A 109 13.486 -3.554 -1.627 1.00 65.44 H new ATOM 0 HB VAL A 109 12.267 -4.880 -4.067 1.00 52.13 H new ATOM 0 HG11 VAL A 109 13.613 -3.223 -5.293 1.00 40.21 H new ATOM 0 HG12 VAL A 109 12.448 -2.450 -4.192 1.00 40.21 H new ATOM 0 HG13 VAL A 109 14.168 -2.538 -3.747 1.00 40.21 H new ATOM 0 HG21 VAL A 109 14.566 -5.428 -4.755 1.00 13.31 H new ATOM 0 HG22 VAL A 109 15.168 -4.850 -3.184 1.00 13.31 H new ATOM 0 HG23 VAL A 109 14.101 -6.272 -3.259 1.00 13.31 H new ATOM 251 N GLY A 110 11.267 -2.484 -1.205 1.00 40.35 N ATOM 252 CA GLY A 110 10.004 -1.805 -1.020 1.00 75.41 C ATOM 253 C GLY A 110 10.055 -0.371 -1.496 1.00 71.50 C ATOM 254 O GLY A 110 11.133 0.207 -1.632 1.00 12.20 O ATOM 0 H GLY A 110 12.047 -2.086 -0.682 1.00 40.35 H new ATOM 0 HA2 GLY A 110 9.223 -2.339 -1.562 1.00 75.41 H new ATOM 0 HA3 GLY A 110 9.732 -1.827 0.035 1.00 75.41 H new ATOM 347 N GLU A 117 9.054 -4.651 -11.948 1.00 34.54 N ATOM 348 CA GLU A 117 8.706 -6.061 -11.917 1.00 51.43 C ATOM 349 C GLU A 117 9.950 -6.915 -11.681 1.00 31.41 C ATOM 350 O GLU A 117 11.020 -6.379 -11.388 1.00 72.03 O ATOM 351 CB GLU A 117 8.016 -6.450 -13.222 1.00 73.40 C ATOM 352 CG GLU A 117 8.925 -6.469 -14.433 1.00 22.43 C ATOM 353 CD GLU A 117 8.154 -6.727 -15.707 1.00 32.12 C ATOM 354 OE1 GLU A 117 7.877 -7.904 -16.006 1.00 52.21 O ATOM 355 OE2 GLU A 117 7.798 -5.754 -16.403 1.00 23.33 O ATOM 0 HA GLU A 117 8.017 -6.240 -11.091 1.00 51.43 H new ATOM 0 HB2 GLU A 117 7.571 -7.438 -13.102 1.00 73.40 H new ATOM 0 HB3 GLU A 117 7.199 -5.753 -13.408 1.00 73.40 H new ATOM 0 HG2 GLU A 117 9.448 -5.516 -14.511 1.00 22.43 H new ATOM 0 HG3 GLU A 117 9.685 -7.240 -14.305 1.00 22.43 H new ATOM 362 N GLU A 118 9.808 -8.234 -11.823 1.00 12.51 N ATOM 363 CA GLU A 118 10.891 -9.174 -11.524 1.00 20.45 C ATOM 364 C GLU A 118 12.187 -8.818 -12.243 1.00 61.33 C ATOM 365 O GLU A 118 13.247 -8.735 -11.616 1.00 23.22 O ATOM 366 CB GLU A 118 10.474 -10.611 -11.871 1.00 71.43 C ATOM 367 CG GLU A 118 11.643 -11.507 -12.262 1.00 55.13 C ATOM 368 CD GLU A 118 11.327 -12.983 -12.181 1.00 33.42 C ATOM 369 OE1 GLU A 118 10.144 -13.357 -12.291 1.00 23.33 O ATOM 370 OE2 GLU A 118 12.272 -13.783 -12.009 1.00 62.05 O ATOM 0 H GLU A 118 8.948 -8.678 -12.145 1.00 12.51 H new ATOM 0 HA GLU A 118 11.082 -9.102 -10.453 1.00 20.45 H new ATOM 0 HB2 GLU A 118 9.962 -11.049 -11.014 1.00 71.43 H new ATOM 0 HB3 GLU A 118 9.757 -10.584 -12.691 1.00 71.43 H new ATOM 0 HG2 GLU A 118 11.951 -11.265 -13.279 1.00 55.13 H new ATOM 0 HG3 GLU A 118 12.490 -11.289 -11.612 1.00 55.13 H new ATOM 377 N HIS A 119 12.105 -8.602 -13.548 1.00 13.32 N ATOM 378 CA HIS A 119 13.294 -8.347 -14.344 1.00 60.51 C ATOM 379 C HIS A 119 13.978 -7.053 -13.902 1.00 44.21 C ATOM 380 O HIS A 119 15.187 -6.916 -14.037 1.00 24.31 O ATOM 381 CB HIS A 119 12.955 -8.318 -15.845 1.00 43.42 C ATOM 382 CG HIS A 119 12.666 -6.959 -16.409 1.00 75.12 C ATOM 383 ND1 HIS A 119 11.515 -6.249 -16.419 1.00 45.33 N flip ATOM 384 CD2 HIS A 119 13.645 -6.237 -17.046 1.00 22.42 C flip ATOM 385 CE1 HIS A 119 11.782 -5.073 -17.072 1.00 61.21 C flip ATOM 386 NE2 HIS A 119 13.073 -5.111 -17.426 1.00 22.03 N flip ATOM 0 H HIS A 119 11.232 -8.598 -14.075 1.00 13.32 H new ATOM 0 HA HIS A 119 13.995 -9.165 -14.180 1.00 60.51 H new ATOM 0 HB2 HIS A 119 13.788 -8.753 -16.397 1.00 43.42 H new ATOM 0 HB3 HIS A 119 12.089 -8.957 -16.018 1.00 43.42 H new ATOM 0 HD2 HIS A 119 14.672 -6.531 -17.203 1.00 22.42 H new ATOM 0 HE1 HIS A 119 11.085 -4.271 -17.264 1.00 61.21 H new ATOM 0 HE2 HIS A 119 13.553 -4.363 -17.926 1.00 22.03 H new ATOM 394 N HIS A 120 13.203 -6.122 -13.350 1.00 71.04 N ATOM 395 CA HIS A 120 13.750 -4.854 -12.884 1.00 42.14 C ATOM 396 C HIS A 120 14.641 -5.066 -11.668 1.00 42.41 C ATOM 397 O HIS A 120 15.774 -4.578 -11.630 1.00 42.41 O ATOM 398 CB HIS A 120 12.632 -3.866 -12.553 1.00 22.32 C ATOM 399 CG HIS A 120 11.948 -3.320 -13.761 1.00 53.04 C ATOM 400 ND1 HIS A 120 10.636 -3.604 -14.024 1.00 14.23 N ATOM 401 CD2 HIS A 120 12.432 -2.513 -14.734 1.00 52.32 C ATOM 402 CE1 HIS A 120 10.343 -2.971 -15.143 1.00 13.42 C ATOM 403 NE2 HIS A 120 11.402 -2.295 -15.614 1.00 52.05 N ATOM 0 H HIS A 120 12.197 -6.223 -13.216 1.00 71.04 H new ATOM 0 HA HIS A 120 14.353 -4.434 -13.689 1.00 42.14 H new ATOM 0 HB2 HIS A 120 11.895 -4.361 -11.920 1.00 22.32 H new ATOM 0 HB3 HIS A 120 13.046 -3.040 -11.975 1.00 22.32 H new ATOM 0 HD1 HIS A 120 10.011 -4.187 -13.467 1.00 14.23 H new ATOM 0 HD2 HIS A 120 13.434 -2.117 -14.804 1.00 52.32 H new ATOM 0 HE1 HIS A 120 9.374 -2.994 -15.620 1.00 13.42 H new ATOM 411 N LEU A 121 14.130 -5.792 -10.673 1.00 54.04 N ATOM 412 CA LEU A 121 14.936 -6.141 -9.508 1.00 62.13 C ATOM 413 C LEU A 121 16.140 -6.958 -9.946 1.00 71.45 C ATOM 414 O LEU A 121 17.281 -6.634 -9.621 1.00 34.21 O ATOM 415 CB LEU A 121 14.140 -6.948 -8.467 1.00 64.20 C ATOM 416 CG LEU A 121 13.048 -6.197 -7.692 1.00 20.04 C ATOM 417 CD1 LEU A 121 13.420 -4.739 -7.489 1.00 75.32 C ATOM 418 CD2 LEU A 121 11.704 -6.327 -8.382 1.00 53.33 C ATOM 0 H LEU A 121 13.173 -6.145 -10.651 1.00 54.04 H new ATOM 0 HA LEU A 121 15.251 -5.207 -9.042 1.00 62.13 H new ATOM 0 HB2 LEU A 121 13.675 -7.792 -8.976 1.00 64.20 H new ATOM 0 HB3 LEU A 121 14.846 -7.360 -7.745 1.00 64.20 H new ATOM 0 HG LEU A 121 12.965 -6.656 -6.707 1.00 20.04 H new ATOM 0 HD11 LEU A 121 12.627 -4.235 -6.937 1.00 75.32 H new ATOM 0 HD12 LEU A 121 14.351 -4.676 -6.925 1.00 75.32 H new ATOM 0 HD13 LEU A 121 13.550 -4.258 -8.459 1.00 75.32 H new ATOM 0 HD21 LEU A 121 10.949 -5.786 -7.812 1.00 53.33 H new ATOM 0 HD22 LEU A 121 11.769 -5.909 -9.387 1.00 53.33 H new ATOM 0 HD23 LEU A 121 11.427 -7.379 -8.444 1.00 53.33 H new ATOM 430 N ARG A 122 15.871 -8.009 -10.709 1.00 53.24 N ATOM 431 CA ARG A 122 16.913 -8.909 -11.177 1.00 21.42 C ATOM 432 C ARG A 122 18.008 -8.149 -11.924 1.00 61.11 C ATOM 433 O ARG A 122 19.175 -8.290 -11.598 1.00 50.04 O ATOM 434 CB ARG A 122 16.307 -9.995 -12.069 1.00 5.54 C ATOM 435 CG ARG A 122 17.337 -10.896 -12.737 1.00 62.54 C ATOM 436 CD ARG A 122 17.426 -12.252 -12.056 1.00 32.14 C ATOM 437 NE ARG A 122 16.132 -12.940 -12.024 1.00 32.21 N ATOM 438 CZ ARG A 122 15.971 -14.216 -11.666 1.00 72.20 C ATOM 439 NH1 ARG A 122 17.027 -14.970 -11.373 1.00 74.24 N ATOM 440 NH2 ARG A 122 14.752 -14.745 -11.618 1.00 41.11 N ATOM 0 H ARG A 122 14.932 -8.259 -11.018 1.00 53.24 H new ATOM 0 HA ARG A 122 17.372 -9.380 -10.308 1.00 21.42 H new ATOM 0 HB2 ARG A 122 15.636 -10.610 -11.469 1.00 5.54 H new ATOM 0 HB3 ARG A 122 15.700 -9.520 -12.840 1.00 5.54 H new ATOM 0 HG2 ARG A 122 17.075 -11.033 -13.786 1.00 62.54 H new ATOM 0 HG3 ARG A 122 18.313 -10.412 -12.713 1.00 62.54 H new ATOM 0 HD2 ARG A 122 18.153 -12.873 -12.579 1.00 32.14 H new ATOM 0 HD3 ARG A 122 17.792 -12.122 -11.038 1.00 32.14 H new ATOM 0 HE ARG A 122 15.302 -12.411 -12.292 1.00 32.21 H new ATOM 0 HH11 ARG A 122 17.966 -14.574 -11.421 1.00 74.24 H new ATOM 0 HH12 ARG A 122 16.898 -15.944 -11.100 1.00 74.24 H new ATOM 0 HH21 ARG A 122 13.939 -14.176 -11.855 1.00 41.11 H new ATOM 0 HH22 ARG A 122 14.630 -15.720 -11.344 1.00 41.11 H new ATOM 454 N ASP A 123 17.619 -7.316 -12.887 1.00 64.04 N ATOM 455 CA ASP A 123 18.579 -6.572 -13.715 1.00 14.45 C ATOM 456 C ASP A 123 19.559 -5.763 -12.868 1.00 65.21 C ATOM 457 O ASP A 123 20.738 -5.643 -13.206 1.00 22.14 O ATOM 458 CB ASP A 123 17.839 -5.636 -14.676 1.00 21.51 C ATOM 459 CG ASP A 123 18.771 -4.727 -15.455 1.00 43.43 C ATOM 460 OD1 ASP A 123 19.480 -5.221 -16.358 1.00 51.43 O ATOM 461 OD2 ASP A 123 18.786 -3.508 -15.182 1.00 11.05 O ATOM 0 H ASP A 123 16.642 -7.136 -13.118 1.00 64.04 H new ATOM 0 HA ASP A 123 19.151 -7.306 -14.283 1.00 14.45 H new ATOM 0 HB2 ASP A 123 17.253 -6.232 -15.376 1.00 21.51 H new ATOM 0 HB3 ASP A 123 17.135 -5.026 -14.110 1.00 21.51 H new ATOM 466 N TYR A 124 19.074 -5.224 -11.762 1.00 3.03 N ATOM 467 CA TYR A 124 19.903 -4.391 -10.909 1.00 32.32 C ATOM 468 C TYR A 124 20.717 -5.238 -9.936 1.00 3.23 C ATOM 469 O TYR A 124 21.889 -4.967 -9.700 1.00 15.01 O ATOM 470 CB TYR A 124 19.037 -3.385 -10.143 1.00 3.52 C ATOM 471 CG TYR A 124 19.820 -2.496 -9.200 1.00 64.25 C ATOM 472 CD1 TYR A 124 19.674 -2.614 -7.826 1.00 42.10 C ATOM 473 CD2 TYR A 124 20.710 -1.544 -9.686 1.00 51.12 C ATOM 474 CE1 TYR A 124 20.387 -1.810 -6.960 1.00 74.31 C ATOM 475 CE2 TYR A 124 21.429 -0.736 -8.825 1.00 15.14 C ATOM 476 CZ TYR A 124 21.262 -0.873 -7.462 1.00 62.41 C ATOM 477 OH TYR A 124 21.974 -0.072 -6.597 1.00 25.14 O ATOM 0 H TYR A 124 18.116 -5.348 -11.435 1.00 3.03 H new ATOM 0 HA TYR A 124 20.599 -3.845 -11.545 1.00 32.32 H new ATOM 0 HB2 TYR A 124 18.505 -2.759 -10.859 1.00 3.52 H new ATOM 0 HB3 TYR A 124 18.284 -3.929 -9.573 1.00 3.52 H new ATOM 0 HD1 TYR A 124 18.990 -3.348 -7.426 1.00 42.10 H new ATOM 0 HD2 TYR A 124 20.841 -1.434 -10.752 1.00 51.12 H new ATOM 0 HE1 TYR A 124 20.259 -1.915 -5.893 1.00 74.31 H new ATOM 0 HE2 TYR A 124 22.117 -0.002 -9.217 1.00 15.14 H new ATOM 0 HH TYR A 124 21.806 -0.357 -5.674 1.00 25.14 H new ATOM 487 N PHE A 125 20.114 -6.279 -9.393 1.00 43.40 N ATOM 488 CA PHE A 125 20.763 -7.055 -8.344 1.00 34.30 C ATOM 489 C PHE A 125 21.650 -8.167 -8.904 1.00 51.10 C ATOM 490 O PHE A 125 22.515 -8.691 -8.202 1.00 33.34 O ATOM 491 CB PHE A 125 19.710 -7.620 -7.389 1.00 34.32 C ATOM 492 CG PHE A 125 19.000 -6.548 -6.608 1.00 13.12 C ATOM 493 CD1 PHE A 125 17.628 -6.383 -6.710 1.00 44.32 C ATOM 494 CD2 PHE A 125 19.712 -5.693 -5.787 1.00 3.32 C ATOM 495 CE1 PHE A 125 16.984 -5.383 -6.008 1.00 34.10 C ATOM 496 CE2 PHE A 125 19.074 -4.693 -5.078 1.00 3.44 C ATOM 497 CZ PHE A 125 17.707 -4.537 -5.191 1.00 72.20 C ATOM 0 H PHE A 125 19.185 -6.607 -9.655 1.00 43.40 H new ATOM 0 HA PHE A 125 21.422 -6.383 -7.794 1.00 34.30 H new ATOM 0 HB2 PHE A 125 18.979 -8.193 -7.959 1.00 34.32 H new ATOM 0 HB3 PHE A 125 20.188 -8.312 -6.696 1.00 34.32 H new ATOM 0 HD1 PHE A 125 17.056 -7.043 -7.345 1.00 44.32 H new ATOM 0 HD2 PHE A 125 20.782 -5.808 -5.699 1.00 3.32 H new ATOM 0 HE1 PHE A 125 15.915 -5.263 -6.098 1.00 34.10 H new ATOM 0 HE2 PHE A 125 19.643 -4.036 -4.437 1.00 3.44 H new ATOM 0 HZ PHE A 125 17.204 -3.755 -4.641 1.00 72.20 H new ATOM 507 N GLU A 126 21.456 -8.512 -10.172 1.00 73.14 N ATOM 508 CA GLU A 126 22.232 -9.583 -10.800 1.00 71.34 C ATOM 509 C GLU A 126 23.696 -9.197 -10.976 1.00 71.42 C ATOM 510 O GLU A 126 24.561 -10.058 -11.130 1.00 4.14 O ATOM 511 CB GLU A 126 21.623 -9.967 -12.151 1.00 20.24 C ATOM 512 CG GLU A 126 21.615 -8.847 -13.181 1.00 63.42 C ATOM 513 CD GLU A 126 22.725 -8.982 -14.199 1.00 33.40 C ATOM 514 OE1 GLU A 126 23.768 -8.315 -14.049 1.00 22.12 O ATOM 515 OE2 GLU A 126 22.556 -9.766 -15.157 1.00 60.43 O ATOM 0 H GLU A 126 20.772 -8.070 -10.786 1.00 73.14 H new ATOM 0 HA GLU A 126 22.194 -10.444 -10.133 1.00 71.34 H new ATOM 0 HB2 GLU A 126 22.177 -10.813 -12.557 1.00 20.24 H new ATOM 0 HB3 GLU A 126 20.599 -10.304 -11.991 1.00 20.24 H new ATOM 0 HG2 GLU A 126 20.654 -8.839 -13.696 1.00 63.42 H new ATOM 0 HG3 GLU A 126 21.710 -7.889 -12.670 1.00 63.42 H new ATOM 522 N GLN A 127 23.968 -7.901 -10.963 1.00 10.43 N ATOM 523 CA GLN A 127 25.333 -7.404 -11.107 1.00 30.22 C ATOM 524 C GLN A 127 26.099 -7.554 -9.796 1.00 61.52 C ATOM 525 O GLN A 127 27.325 -7.474 -9.766 1.00 72.23 O ATOM 526 CB GLN A 127 25.327 -5.940 -11.548 1.00 61.52 C ATOM 527 CG GLN A 127 24.929 -4.971 -10.448 1.00 71.01 C ATOM 528 CD GLN A 127 24.614 -3.589 -10.974 1.00 44.35 C ATOM 529 OE1 GLN A 127 25.490 -2.733 -11.088 1.00 4.15 O ATOM 530 NE2 GLN A 127 23.352 -3.363 -11.277 1.00 33.23 N ATOM 0 H GLN A 127 23.263 -7.172 -10.854 1.00 10.43 H new ATOM 0 HA GLN A 127 25.833 -7.997 -11.873 1.00 30.22 H new ATOM 0 HB2 GLN A 127 26.320 -5.675 -11.911 1.00 61.52 H new ATOM 0 HB3 GLN A 127 24.640 -5.825 -12.387 1.00 61.52 H new ATOM 0 HG2 GLN A 127 24.058 -5.362 -9.922 1.00 71.01 H new ATOM 0 HG3 GLN A 127 25.737 -4.903 -9.720 1.00 71.01 H new ATOM 0 HE21 GLN A 127 22.660 -4.104 -11.166 1.00 33.23 H new ATOM 0 HE22 GLN A 127 23.067 -2.447 -11.623 1.00 33.23 H new ATOM 539 N TYR A 128 25.363 -7.762 -8.710 1.00 4.13 N ATOM 540 CA TYR A 128 25.975 -7.960 -7.403 1.00 1.30 C ATOM 541 C TYR A 128 26.358 -9.420 -7.216 1.00 21.50 C ATOM 542 O TYR A 128 27.429 -9.727 -6.689 1.00 73.34 O ATOM 543 CB TYR A 128 25.027 -7.529 -6.282 1.00 73.35 C ATOM 544 CG TYR A 128 24.782 -6.040 -6.210 1.00 53.15 C ATOM 545 CD1 TYR A 128 25.400 -5.281 -5.233 1.00 63.42 C ATOM 546 CD2 TYR A 128 23.931 -5.398 -7.101 1.00 44.44 C ATOM 547 CE1 TYR A 128 25.184 -3.922 -5.137 1.00 55.13 C ATOM 548 CE2 TYR A 128 23.708 -4.036 -7.017 1.00 35.43 C ATOM 549 CZ TYR A 128 24.337 -3.301 -6.031 1.00 41.54 C ATOM 550 OH TYR A 128 24.124 -1.945 -5.937 1.00 14.42 O ATOM 0 H TYR A 128 24.344 -7.798 -8.709 1.00 4.13 H new ATOM 0 HA TYR A 128 26.872 -7.343 -7.356 1.00 1.30 H new ATOM 0 HB2 TYR A 128 24.071 -8.036 -6.416 1.00 73.35 H new ATOM 0 HB3 TYR A 128 25.435 -7.864 -5.329 1.00 73.35 H new ATOM 0 HD1 TYR A 128 26.065 -5.762 -4.531 1.00 63.42 H new ATOM 0 HD2 TYR A 128 23.436 -5.971 -7.871 1.00 44.44 H new ATOM 0 HE1 TYR A 128 25.675 -3.347 -4.366 1.00 55.13 H new ATOM 0 HE2 TYR A 128 23.046 -3.550 -7.718 1.00 35.43 H new ATOM 0 HH TYR A 128 23.255 -1.722 -6.332 1.00 14.42 H new ATOM 560 N GLY A 129 25.479 -10.312 -7.651 1.00 41.45 N ATOM 561 CA GLY A 129 25.737 -11.729 -7.534 1.00 62.30 C ATOM 562 C GLY A 129 24.700 -12.559 -8.257 1.00 13.21 C ATOM 563 O GLY A 129 23.876 -12.020 -9.000 1.00 3.13 O ATOM 0 H GLY A 129 24.587 -10.075 -8.085 1.00 41.45 H new ATOM 0 HA2 GLY A 129 26.725 -11.952 -7.938 1.00 62.30 H new ATOM 0 HA3 GLY A 129 25.753 -12.008 -6.480 1.00 62.30 H new ATOM 567 N LYS A 130 24.734 -13.866 -8.040 1.00 11.40 N ATOM 568 CA LYS A 130 23.821 -14.781 -8.698 1.00 31.33 C ATOM 569 C LYS A 130 22.455 -14.786 -8.026 1.00 40.30 C ATOM 570 O LYS A 130 22.326 -15.080 -6.834 1.00 22.44 O ATOM 571 CB LYS A 130 24.412 -16.190 -8.711 1.00 71.10 C ATOM 572 CG LYS A 130 23.403 -17.264 -9.062 1.00 42.14 C ATOM 573 CD LYS A 130 24.070 -18.602 -9.312 1.00 53.50 C ATOM 574 CE LYS A 130 23.034 -19.673 -9.574 1.00 50.02 C ATOM 575 NZ LYS A 130 23.652 -20.995 -9.858 1.00 32.31 N ATOM 0 H LYS A 130 25.393 -14.317 -7.406 1.00 11.40 H new ATOM 0 HA LYS A 130 23.683 -14.440 -9.724 1.00 31.33 H new ATOM 0 HB2 LYS A 130 25.232 -16.225 -9.428 1.00 71.10 H new ATOM 0 HB3 LYS A 130 24.836 -16.407 -7.731 1.00 71.10 H new ATOM 0 HG2 LYS A 130 22.681 -17.363 -8.251 1.00 42.14 H new ATOM 0 HG3 LYS A 130 22.846 -16.964 -9.950 1.00 42.14 H new ATOM 0 HD2 LYS A 130 24.744 -18.524 -10.165 1.00 53.50 H new ATOM 0 HD3 LYS A 130 24.677 -18.879 -8.450 1.00 53.50 H new ATOM 0 HE2 LYS A 130 22.377 -19.760 -8.709 1.00 50.02 H new ATOM 0 HE3 LYS A 130 22.412 -19.376 -10.418 1.00 50.02 H new ATOM 0 HZ1 LYS A 130 22.905 -21.697 -10.031 1.00 32.31 H new ATOM 0 HZ2 LYS A 130 24.259 -20.921 -10.699 1.00 32.31 H new ATOM 0 HZ3 LYS A 130 24.225 -21.293 -9.043 1.00 32.31 H new ATOM 589 N ILE A 131 21.439 -14.472 -8.809 1.00 1.42 N ATOM 590 CA ILE A 131 20.079 -14.434 -8.313 1.00 34.43 C ATOM 591 C ILE A 131 19.362 -15.747 -8.597 1.00 11.12 C ATOM 592 O ILE A 131 19.504 -16.329 -9.672 1.00 14.51 O ATOM 593 CB ILE A 131 19.286 -13.279 -8.949 1.00 34.04 C ATOM 594 CG1 ILE A 131 20.011 -11.954 -8.724 1.00 41.24 C ATOM 595 CG2 ILE A 131 17.878 -13.219 -8.379 1.00 50.34 C ATOM 596 CD1 ILE A 131 19.270 -10.761 -9.273 1.00 50.11 C ATOM 0 H ILE A 131 21.533 -14.238 -9.797 1.00 1.42 H new ATOM 0 HA ILE A 131 20.133 -14.276 -7.236 1.00 34.43 H new ATOM 0 HB ILE A 131 19.213 -13.458 -10.022 1.00 34.04 H new ATOM 0 HG12 ILE A 131 20.169 -11.813 -7.655 1.00 41.24 H new ATOM 0 HG13 ILE A 131 20.996 -12.005 -9.188 1.00 41.24 H new ATOM 0 HG21 ILE A 131 17.333 -12.396 -8.841 1.00 50.34 H new ATOM 0 HG22 ILE A 131 17.362 -14.157 -8.585 1.00 50.34 H new ATOM 0 HG23 ILE A 131 17.928 -13.061 -7.302 1.00 50.34 H new ATOM 0 HD11 ILE A 131 19.843 -9.855 -9.077 1.00 50.11 H new ATOM 0 HD12 ILE A 131 19.135 -10.880 -10.348 1.00 50.11 H new ATOM 0 HD13 ILE A 131 18.295 -10.685 -8.791 1.00 50.11 H new ATOM 608 N GLU A 132 18.605 -16.206 -7.622 1.00 73.33 N ATOM 609 CA GLU A 132 17.777 -17.388 -7.773 1.00 61.43 C ATOM 610 C GLU A 132 16.471 -17.035 -8.482 1.00 12.23 C ATOM 611 O GLU A 132 16.320 -17.277 -9.682 1.00 71.31 O ATOM 612 CB GLU A 132 17.501 -17.995 -6.398 1.00 24.52 C ATOM 613 CG GLU A 132 18.658 -18.813 -5.859 1.00 73.20 C ATOM 614 CD GLU A 132 18.668 -20.222 -6.397 1.00 61.30 C ATOM 615 OE1 GLU A 132 18.456 -21.166 -5.607 1.00 45.32 O ATOM 616 OE2 GLU A 132 18.870 -20.395 -7.616 1.00 32.14 O ATOM 0 H GLU A 132 18.545 -15.771 -6.701 1.00 73.33 H new ATOM 0 HA GLU A 132 18.303 -18.122 -8.384 1.00 61.43 H new ATOM 0 HB2 GLU A 132 17.273 -17.194 -5.695 1.00 24.52 H new ATOM 0 HB3 GLU A 132 16.616 -18.628 -6.459 1.00 24.52 H new ATOM 0 HG2 GLU A 132 19.597 -18.322 -6.116 1.00 73.20 H new ATOM 0 HG3 GLU A 132 18.602 -18.843 -4.771 1.00 73.20 H new ATOM 623 N VAL A 133 15.550 -16.419 -7.749 1.00 71.41 N ATOM 624 CA VAL A 133 14.243 -16.059 -8.290 1.00 1.41 C ATOM 625 C VAL A 133 13.801 -14.700 -7.757 1.00 14.13 C ATOM 626 O VAL A 133 14.328 -14.220 -6.754 1.00 12.32 O ATOM 627 CB VAL A 133 13.157 -17.106 -7.940 1.00 55.13 C ATOM 628 CG1 VAL A 133 13.427 -18.432 -8.637 1.00 21.32 C ATOM 629 CG2 VAL A 133 13.060 -17.305 -6.434 1.00 10.11 C ATOM 0 H VAL A 133 15.685 -16.157 -6.773 1.00 71.41 H new ATOM 0 HA VAL A 133 14.353 -16.023 -9.374 1.00 1.41 H new ATOM 0 HB VAL A 133 12.201 -16.724 -8.298 1.00 55.13 H new ATOM 0 HG11 VAL A 133 12.648 -19.147 -8.372 1.00 21.32 H new ATOM 0 HG12 VAL A 133 13.430 -18.282 -9.717 1.00 21.32 H new ATOM 0 HG13 VAL A 133 14.396 -18.818 -8.322 1.00 21.32 H new ATOM 0 HG21 VAL A 133 12.291 -18.045 -6.214 1.00 10.11 H new ATOM 0 HG22 VAL A 133 14.019 -17.654 -6.051 1.00 10.11 H new ATOM 0 HG23 VAL A 133 12.801 -16.359 -5.958 1.00 10.11 H new ATOM 639 N ILE A 134 12.846 -14.078 -8.436 1.00 54.41 N ATOM 640 CA ILE A 134 12.294 -12.810 -7.983 1.00 75.23 C ATOM 641 C ILE A 134 10.814 -12.974 -7.648 1.00 1.02 C ATOM 642 O ILE A 134 10.020 -13.401 -8.491 1.00 54.33 O ATOM 643 CB ILE A 134 12.443 -11.698 -9.046 1.00 42.04 C ATOM 644 CG1 ILE A 134 13.864 -11.663 -9.617 1.00 2.12 C ATOM 645 CG2 ILE A 134 12.088 -10.342 -8.455 1.00 2.44 C ATOM 646 CD1 ILE A 134 14.923 -11.332 -8.600 1.00 33.14 C ATOM 0 H ILE A 134 12.438 -14.431 -9.302 1.00 54.41 H new ATOM 0 HA ILE A 134 12.856 -12.515 -7.097 1.00 75.23 H new ATOM 0 HB ILE A 134 11.752 -11.923 -9.859 1.00 42.04 H new ATOM 0 HG12 ILE A 134 14.091 -12.633 -10.060 1.00 2.12 H new ATOM 0 HG13 ILE A 134 13.904 -10.928 -10.421 1.00 2.12 H new ATOM 0 HG21 ILE A 134 12.199 -9.572 -9.218 1.00 2.44 H new ATOM 0 HG22 ILE A 134 11.057 -10.357 -8.102 1.00 2.44 H new ATOM 0 HG23 ILE A 134 12.754 -10.124 -7.620 1.00 2.44 H new ATOM 0 HD11 ILE A 134 15.901 -11.327 -9.082 1.00 33.14 H new ATOM 0 HD12 ILE A 134 14.723 -10.349 -8.173 1.00 33.14 H new ATOM 0 HD13 ILE A 134 14.913 -12.080 -7.807 1.00 33.14 H new ATOM 658 N GLU A 135 10.452 -12.650 -6.418 1.00 20.10 N ATOM 659 CA GLU A 135 9.064 -12.715 -5.987 1.00 60.42 C ATOM 660 C GLU A 135 8.483 -11.313 -5.910 1.00 20.54 C ATOM 661 O GLU A 135 8.999 -10.463 -5.194 1.00 51.43 O ATOM 662 CB GLU A 135 8.948 -13.411 -4.630 1.00 60.11 C ATOM 663 CG GLU A 135 9.441 -14.847 -4.639 1.00 30.22 C ATOM 664 CD GLU A 135 9.137 -15.572 -3.346 1.00 21.42 C ATOM 665 OE1 GLU A 135 9.966 -15.522 -2.421 1.00 64.13 O ATOM 666 OE2 GLU A 135 8.059 -16.199 -3.254 1.00 71.31 O ATOM 0 H GLU A 135 11.102 -12.338 -5.697 1.00 20.10 H new ATOM 0 HA GLU A 135 8.500 -13.297 -6.716 1.00 60.42 H new ATOM 0 HB2 GLU A 135 9.516 -12.845 -3.891 1.00 60.11 H new ATOM 0 HB3 GLU A 135 7.906 -13.395 -4.311 1.00 60.11 H new ATOM 0 HG2 GLU A 135 8.978 -15.381 -5.469 1.00 30.22 H new ATOM 0 HG3 GLU A 135 10.517 -14.857 -4.813 1.00 30.22 H new ATOM 673 N ILE A 136 7.419 -11.066 -6.656 1.00 55.14 N ATOM 674 CA ILE A 136 6.829 -9.734 -6.712 1.00 71.51 C ATOM 675 C ILE A 136 5.668 -9.613 -5.726 1.00 72.03 C ATOM 676 O ILE A 136 5.143 -8.522 -5.504 1.00 52.14 O ATOM 677 CB ILE A 136 6.331 -9.397 -8.137 1.00 34.42 C ATOM 678 CG1 ILE A 136 7.347 -9.867 -9.181 1.00 71.32 C ATOM 679 CG2 ILE A 136 6.093 -7.899 -8.281 1.00 11.12 C ATOM 680 CD1 ILE A 136 6.891 -9.652 -10.607 1.00 21.11 C ATOM 0 H ILE A 136 6.946 -11.765 -7.229 1.00 55.14 H new ATOM 0 HA ILE A 136 7.609 -9.024 -6.438 1.00 71.51 H new ATOM 0 HB ILE A 136 5.388 -9.918 -8.302 1.00 34.42 H new ATOM 0 HG12 ILE A 136 8.287 -9.338 -9.025 1.00 71.32 H new ATOM 0 HG13 ILE A 136 7.549 -10.927 -9.028 1.00 71.32 H new ATOM 0 HG21 ILE A 136 5.743 -7.682 -9.290 1.00 11.12 H new ATOM 0 HG22 ILE A 136 5.341 -7.579 -7.559 1.00 11.12 H new ATOM 0 HG23 ILE A 136 7.024 -7.363 -8.097 1.00 11.12 H new ATOM 0 HD11 ILE A 136 7.660 -10.008 -11.293 1.00 21.11 H new ATOM 0 HD12 ILE A 136 5.967 -10.203 -10.781 1.00 21.11 H new ATOM 0 HD13 ILE A 136 6.717 -8.590 -10.777 1.00 21.11 H new ATOM 692 N MET A 137 5.283 -10.746 -5.133 1.00 11.24 N ATOM 693 CA MET A 137 4.154 -10.796 -4.202 1.00 65.32 C ATOM 694 C MET A 137 2.921 -10.144 -4.831 1.00 12.24 C ATOM 695 O MET A 137 2.461 -9.075 -4.418 1.00 0.52 O ATOM 696 CB MET A 137 4.539 -10.159 -2.856 1.00 3.31 C ATOM 697 CG MET A 137 3.408 -10.065 -1.836 1.00 64.24 C ATOM 698 SD MET A 137 2.248 -11.455 -1.889 1.00 50.24 S ATOM 699 CE MET A 137 3.342 -12.856 -1.663 1.00 61.43 C ATOM 0 H MET A 137 5.740 -11.646 -5.283 1.00 11.24 H new ATOM 0 HA MET A 137 3.898 -11.836 -3.998 1.00 65.32 H new ATOM 0 HB2 MET A 137 5.354 -10.736 -2.419 1.00 3.31 H new ATOM 0 HB3 MET A 137 4.923 -9.156 -3.043 1.00 3.31 H new ATOM 0 HG2 MET A 137 3.839 -10.003 -0.837 1.00 64.24 H new ATOM 0 HG3 MET A 137 2.857 -9.139 -2.004 1.00 64.24 H new ATOM 0 HE1 MET A 137 3.393 -13.430 -2.588 1.00 61.43 H new ATOM 0 HE2 MET A 137 4.339 -12.501 -1.401 1.00 61.43 H new ATOM 0 HE3 MET A 137 2.960 -13.490 -0.863 1.00 61.43 H new ATOM 859 N PHE A 148 6.080 -3.739 -3.653 1.00 22.30 N ATOM 860 CA PHE A 148 7.220 -4.266 -2.928 1.00 50.32 C ATOM 861 C PHE A 148 7.500 -5.676 -3.415 1.00 4.04 C ATOM 862 O PHE A 148 6.574 -6.432 -3.707 1.00 71.42 O ATOM 863 CB PHE A 148 6.991 -4.237 -1.406 1.00 52.51 C ATOM 864 CG PHE A 148 5.910 -5.155 -0.897 1.00 12.11 C ATOM 865 CD1 PHE A 148 6.198 -6.473 -0.572 1.00 24.51 C ATOM 866 CD2 PHE A 148 4.613 -4.698 -0.720 1.00 4.41 C ATOM 867 CE1 PHE A 148 5.217 -7.313 -0.085 1.00 35.25 C ATOM 868 CE2 PHE A 148 3.627 -5.537 -0.235 1.00 41.03 C ATOM 869 CZ PHE A 148 3.931 -6.846 0.083 1.00 10.23 C ATOM 0 HA PHE A 148 8.087 -3.634 -3.122 1.00 50.32 H new ATOM 0 HB2 PHE A 148 7.927 -4.495 -0.910 1.00 52.51 H new ATOM 0 HB3 PHE A 148 6.746 -3.216 -1.112 1.00 52.51 H new ATOM 0 HD1 PHE A 148 7.203 -6.846 -0.702 1.00 24.51 H new ATOM 0 HD2 PHE A 148 4.370 -3.674 -0.964 1.00 4.41 H new ATOM 0 HE1 PHE A 148 5.457 -8.336 0.164 1.00 35.25 H new ATOM 0 HE2 PHE A 148 2.620 -5.169 -0.105 1.00 41.03 H new ATOM 0 HZ PHE A 148 3.162 -7.503 0.463 1.00 10.23 H new ATOM 879 N ALA A 149 8.770 -6.019 -3.526 1.00 51.13 N ATOM 880 CA ALA A 149 9.156 -7.310 -4.060 1.00 61.42 C ATOM 881 C ALA A 149 10.319 -7.901 -3.279 1.00 51.52 C ATOM 882 O ALA A 149 10.908 -7.243 -2.419 1.00 42.13 O ATOM 883 CB ALA A 149 9.513 -7.185 -5.533 1.00 10.34 C ATOM 0 H ALA A 149 9.551 -5.422 -3.254 1.00 51.13 H new ATOM 0 HA ALA A 149 8.307 -7.986 -3.960 1.00 61.42 H new ATOM 0 HB1 ALA A 149 9.801 -8.162 -5.922 1.00 10.34 H new ATOM 0 HB2 ALA A 149 8.650 -6.814 -6.086 1.00 10.34 H new ATOM 0 HB3 ALA A 149 10.344 -6.489 -5.648 1.00 10.34 H new ATOM 889 N PHE A 150 10.649 -9.139 -3.596 1.00 14.24 N ATOM 890 CA PHE A 150 11.696 -9.863 -2.900 1.00 2.13 C ATOM 891 C PHE A 150 12.634 -10.507 -3.906 1.00 2.32 C ATOM 892 O PHE A 150 12.192 -11.073 -4.907 1.00 1.02 O ATOM 893 CB PHE A 150 11.097 -10.942 -1.995 1.00 2.12 C ATOM 894 CG PHE A 150 10.061 -10.433 -1.036 1.00 62.22 C ATOM 895 CD1 PHE A 150 8.722 -10.416 -1.390 1.00 13.33 C ATOM 896 CD2 PHE A 150 10.424 -9.972 0.217 1.00 41.51 C ATOM 897 CE1 PHE A 150 7.766 -9.949 -0.512 1.00 14.32 C ATOM 898 CE2 PHE A 150 9.471 -9.505 1.101 1.00 4.12 C ATOM 899 CZ PHE A 150 8.140 -9.493 0.736 1.00 12.25 C ATOM 0 H PHE A 150 10.200 -9.670 -4.342 1.00 14.24 H new ATOM 0 HA PHE A 150 12.251 -9.157 -2.283 1.00 2.13 H new ATOM 0 HB2 PHE A 150 10.650 -11.716 -2.618 1.00 2.12 H new ATOM 0 HB3 PHE A 150 11.900 -11.413 -1.429 1.00 2.12 H new ATOM 0 HD1 PHE A 150 8.423 -10.772 -2.365 1.00 13.33 H new ATOM 0 HD2 PHE A 150 11.464 -9.977 0.507 1.00 41.51 H new ATOM 0 HE1 PHE A 150 6.725 -9.940 -0.801 1.00 14.32 H new ATOM 0 HE2 PHE A 150 9.767 -9.150 2.077 1.00 4.12 H new ATOM 0 HZ PHE A 150 7.393 -9.128 1.425 1.00 12.25 H new ATOM 909 N VAL A 151 13.924 -10.418 -3.645 1.00 42.45 N ATOM 910 CA VAL A 151 14.919 -10.980 -4.542 1.00 41.30 C ATOM 911 C VAL A 151 15.685 -12.098 -3.848 1.00 51.32 C ATOM 912 O VAL A 151 16.447 -11.847 -2.912 1.00 63.04 O ATOM 913 CB VAL A 151 15.910 -9.902 -5.028 1.00 12.12 C ATOM 914 CG1 VAL A 151 16.883 -10.473 -6.048 1.00 71.02 C ATOM 915 CG2 VAL A 151 15.162 -8.713 -5.607 1.00 41.32 C ATOM 0 H VAL A 151 14.309 -9.961 -2.818 1.00 42.45 H new ATOM 0 HA VAL A 151 14.393 -11.381 -5.408 1.00 41.30 H new ATOM 0 HB VAL A 151 16.487 -9.562 -4.168 1.00 12.12 H new ATOM 0 HG11 VAL A 151 17.570 -9.691 -6.373 1.00 71.02 H new ATOM 0 HG12 VAL A 151 17.449 -11.287 -5.595 1.00 71.02 H new ATOM 0 HG13 VAL A 151 16.329 -10.850 -6.908 1.00 71.02 H new ATOM 0 HG21 VAL A 151 15.877 -7.963 -5.945 1.00 41.32 H new ATOM 0 HG22 VAL A 151 14.555 -9.041 -6.451 1.00 41.32 H new ATOM 0 HG23 VAL A 151 14.517 -8.281 -4.842 1.00 41.32 H new ATOM 925 N THR A 152 15.459 -13.327 -4.287 1.00 25.22 N ATOM 926 CA THR A 152 16.154 -14.473 -3.730 1.00 31.00 C ATOM 927 C THR A 152 17.475 -14.685 -4.453 1.00 50.11 C ATOM 928 O THR A 152 17.506 -14.791 -5.675 1.00 53.51 O ATOM 929 CB THR A 152 15.311 -15.758 -3.857 1.00 35.24 C ATOM 930 OG1 THR A 152 13.963 -15.507 -3.444 1.00 14.44 O ATOM 931 CG2 THR A 152 15.904 -16.878 -3.013 1.00 60.31 C ATOM 0 H THR A 152 14.798 -13.555 -5.029 1.00 25.22 H new ATOM 0 HA THR A 152 16.330 -14.268 -2.674 1.00 31.00 H new ATOM 0 HB THR A 152 15.317 -16.067 -4.902 1.00 35.24 H new ATOM 0 HG1 THR A 152 13.436 -16.329 -3.530 1.00 14.44 H new ATOM 0 HG21 THR A 152 15.293 -17.775 -3.118 1.00 60.31 H new ATOM 0 HG22 THR A 152 16.919 -17.089 -3.350 1.00 60.31 H new ATOM 0 HG23 THR A 152 15.925 -16.573 -1.967 1.00 60.31 H new ATOM 939 N PHE A 153 18.559 -14.734 -3.705 1.00 54.11 N ATOM 940 CA PHE A 153 19.874 -14.961 -4.274 1.00 45.30 C ATOM 941 C PHE A 153 20.339 -16.378 -3.972 1.00 12.15 C ATOM 942 O PHE A 153 19.954 -16.965 -2.960 1.00 71.44 O ATOM 943 CB PHE A 153 20.881 -13.952 -3.718 1.00 62.34 C ATOM 944 CG PHE A 153 20.569 -12.527 -4.072 1.00 53.23 C ATOM 945 CD1 PHE A 153 21.045 -11.973 -5.248 1.00 3.30 C ATOM 946 CD2 PHE A 153 19.804 -11.742 -3.227 1.00 24.15 C ATOM 947 CE1 PHE A 153 20.761 -10.663 -5.574 1.00 44.45 C ATOM 948 CE2 PHE A 153 19.519 -10.432 -3.550 1.00 30.13 C ATOM 949 CZ PHE A 153 19.998 -9.893 -4.724 1.00 61.20 C ATOM 0 H PHE A 153 18.555 -14.618 -2.692 1.00 54.11 H new ATOM 0 HA PHE A 153 19.809 -14.830 -5.354 1.00 45.30 H new ATOM 0 HB2 PHE A 153 20.916 -14.048 -2.633 1.00 62.34 H new ATOM 0 HB3 PHE A 153 21.874 -14.200 -4.092 1.00 62.34 H new ATOM 0 HD1 PHE A 153 21.645 -12.572 -5.917 1.00 3.30 H new ATOM 0 HD2 PHE A 153 19.426 -12.160 -2.305 1.00 24.15 H new ATOM 0 HE1 PHE A 153 21.136 -10.242 -6.495 1.00 44.45 H new ATOM 0 HE2 PHE A 153 18.921 -9.829 -2.883 1.00 30.13 H new ATOM 0 HZ PHE A 153 19.775 -8.867 -4.978 1.00 61.20 H new ATOM 959 N ASP A 154 21.152 -16.926 -4.864 1.00 41.22 N ATOM 960 CA ASP A 154 21.687 -18.275 -4.696 1.00 63.32 C ATOM 961 C ASP A 154 22.698 -18.326 -3.552 1.00 33.34 C ATOM 962 O ASP A 154 22.941 -19.382 -2.962 1.00 55.45 O ATOM 963 CB ASP A 154 22.334 -18.735 -6.003 1.00 32.10 C ATOM 964 CG ASP A 154 23.067 -20.054 -5.878 1.00 33.11 C ATOM 965 OD1 ASP A 154 22.413 -21.115 -5.939 1.00 61.04 O ATOM 966 OD2 ASP A 154 24.309 -20.038 -5.748 1.00 25.10 O ATOM 0 H ASP A 154 21.458 -16.457 -5.716 1.00 41.22 H new ATOM 0 HA ASP A 154 20.867 -18.947 -4.444 1.00 63.32 H new ATOM 0 HB2 ASP A 154 21.564 -18.827 -6.769 1.00 32.10 H new ATOM 0 HB3 ASP A 154 23.032 -17.970 -6.343 1.00 32.10 H new ATOM 971 N ASP A 155 23.265 -17.176 -3.231 1.00 20.12 N ATOM 972 CA ASP A 155 24.269 -17.082 -2.179 1.00 0.01 C ATOM 973 C ASP A 155 23.997 -15.860 -1.319 1.00 11.32 C ATOM 974 O ASP A 155 23.555 -14.827 -1.826 1.00 35.12 O ATOM 975 CB ASP A 155 25.671 -16.975 -2.786 1.00 12.00 C ATOM 976 CG ASP A 155 26.766 -17.381 -1.818 1.00 61.01 C ATOM 977 OD1 ASP A 155 27.613 -18.220 -2.190 1.00 5.12 O ATOM 978 OD2 ASP A 155 26.789 -16.870 -0.683 1.00 73.52 O ATOM 0 H ASP A 155 23.047 -16.289 -3.685 1.00 20.12 H new ATOM 0 HA ASP A 155 24.216 -17.982 -1.566 1.00 0.01 H new ATOM 0 HB2 ASP A 155 25.726 -17.605 -3.674 1.00 12.00 H new ATOM 0 HB3 ASP A 155 25.843 -15.949 -3.112 1.00 12.00 H new ATOM 983 N HIS A 156 24.267 -15.970 -0.027 1.00 70.02 N ATOM 984 CA HIS A 156 24.099 -14.844 0.879 1.00 35.32 C ATOM 985 C HIS A 156 25.236 -13.841 0.694 1.00 35.31 C ATOM 986 O HIS A 156 25.163 -12.707 1.171 1.00 44.31 O ATOM 987 CB HIS A 156 23.999 -15.311 2.342 1.00 4.21 C ATOM 988 CG HIS A 156 25.088 -16.238 2.794 1.00 33.55 C ATOM 989 ND1 HIS A 156 24.806 -17.506 3.244 1.00 5.03 N ATOM 990 CD2 HIS A 156 26.421 -16.025 2.884 1.00 24.13 C ATOM 991 CE1 HIS A 156 25.966 -18.031 3.598 1.00 1.24 C ATOM 992 NE2 HIS A 156 26.975 -17.169 3.401 1.00 10.42 N ATOM 0 H HIS A 156 24.602 -16.825 0.417 1.00 70.02 H new ATOM 0 HA HIS A 156 23.160 -14.347 0.635 1.00 35.32 H new ATOM 0 HB2 HIS A 156 24.001 -14.433 2.988 1.00 4.21 H new ATOM 0 HB3 HIS A 156 23.039 -15.808 2.483 1.00 4.21 H new ATOM 0 HD2 HIS A 156 26.949 -15.126 2.603 1.00 24.13 H new ATOM 0 HE1 HIS A 156 26.086 -19.028 3.996 1.00 1.24 H new ATOM 0 HE2 HIS A 156 27.962 -17.332 3.597 1.00 10.42 H new ATOM 1000 N ASP A 157 26.277 -14.264 -0.017 1.00 21.43 N ATOM 1001 CA ASP A 157 27.385 -13.378 -0.357 1.00 61.22 C ATOM 1002 C ASP A 157 26.894 -12.237 -1.237 1.00 1.12 C ATOM 1003 O ASP A 157 27.200 -11.074 -0.990 1.00 23.42 O ATOM 1004 CB ASP A 157 28.493 -14.149 -1.082 1.00 50.30 C ATOM 1005 CG ASP A 157 29.659 -13.260 -1.474 1.00 32.20 C ATOM 1006 OD1 ASP A 157 29.644 -12.699 -2.592 1.00 40.24 O ATOM 1007 OD2 ASP A 157 30.600 -13.115 -0.668 1.00 23.23 O ATOM 0 H ASP A 157 26.376 -15.216 -0.369 1.00 21.43 H new ATOM 0 HA ASP A 157 27.791 -12.970 0.568 1.00 61.22 H new ATOM 0 HB2 ASP A 157 28.853 -14.952 -0.439 1.00 50.30 H new ATOM 0 HB3 ASP A 157 28.081 -14.617 -1.976 1.00 50.30 H new ATOM 1012 N SER A 158 26.104 -12.579 -2.249 1.00 74.20 N ATOM 1013 CA SER A 158 25.552 -11.593 -3.174 1.00 63.20 C ATOM 1014 C SER A 158 24.630 -10.614 -2.448 1.00 74.32 C ATOM 1015 O SER A 158 24.402 -9.495 -2.907 1.00 1.44 O ATOM 1016 CB SER A 158 24.787 -12.317 -4.282 1.00 64.41 C ATOM 1017 OG SER A 158 25.571 -13.364 -4.831 1.00 44.12 O ATOM 0 H SER A 158 25.829 -13.540 -2.451 1.00 74.20 H new ATOM 0 HA SER A 158 26.371 -11.019 -3.607 1.00 63.20 H new ATOM 0 HB2 SER A 158 23.857 -12.723 -3.883 1.00 64.41 H new ATOM 0 HB3 SER A 158 24.516 -11.610 -5.066 1.00 64.41 H new ATOM 0 HG SER A 158 25.014 -13.915 -5.420 1.00 44.12 H new ATOM 1023 N VAL A 159 24.132 -11.038 -1.298 1.00 42.24 N ATOM 1024 CA VAL A 159 23.194 -10.246 -0.521 1.00 0.43 C ATOM 1025 C VAL A 159 23.921 -9.180 0.302 1.00 73.21 C ATOM 1026 O VAL A 159 23.382 -8.097 0.549 1.00 43.13 O ATOM 1027 CB VAL A 159 22.376 -11.156 0.422 1.00 12.14 C ATOM 1028 CG1 VAL A 159 21.249 -10.393 1.085 1.00 70.53 C ATOM 1029 CG2 VAL A 159 21.835 -12.360 -0.336 1.00 32.05 C ATOM 0 H VAL A 159 24.366 -11.938 -0.878 1.00 42.24 H new ATOM 0 HA VAL A 159 22.521 -9.748 -1.219 1.00 0.43 H new ATOM 0 HB VAL A 159 23.044 -11.510 1.207 1.00 12.14 H new ATOM 0 HG11 VAL A 159 20.693 -11.062 1.742 1.00 70.53 H new ATOM 0 HG12 VAL A 159 21.661 -9.571 1.670 1.00 70.53 H new ATOM 0 HG13 VAL A 159 20.580 -9.996 0.322 1.00 70.53 H new ATOM 0 HG21 VAL A 159 21.261 -12.990 0.344 1.00 32.05 H new ATOM 0 HG22 VAL A 159 21.191 -12.020 -1.147 1.00 32.05 H new ATOM 0 HG23 VAL A 159 22.665 -12.933 -0.749 1.00 32.05 H new ATOM 1039 N ASP A 160 25.159 -9.475 0.692 1.00 53.54 N ATOM 1040 CA ASP A 160 25.906 -8.615 1.614 1.00 61.43 C ATOM 1041 C ASP A 160 26.172 -7.233 1.015 1.00 24.22 C ATOM 1042 O ASP A 160 26.116 -6.228 1.722 1.00 1.33 O ATOM 1043 CB ASP A 160 27.227 -9.283 2.036 1.00 13.52 C ATOM 1044 CG ASP A 160 28.455 -8.695 1.358 1.00 53.13 C ATOM 1045 OD1 ASP A 160 29.039 -7.735 1.901 1.00 62.21 O ATOM 1046 OD2 ASP A 160 28.852 -9.196 0.289 1.00 31.12 O ATOM 0 H ASP A 160 25.669 -10.303 0.385 1.00 53.54 H new ATOM 0 HA ASP A 160 25.286 -8.476 2.500 1.00 61.43 H new ATOM 0 HB2 ASP A 160 27.341 -9.192 3.116 1.00 13.52 H new ATOM 0 HB3 ASP A 160 27.173 -10.348 1.810 1.00 13.52 H new ATOM 1051 N LYS A 161 26.435 -7.179 -0.289 1.00 34.40 N ATOM 1052 CA LYS A 161 26.723 -5.913 -0.961 1.00 65.04 C ATOM 1053 C LYS A 161 25.467 -5.054 -1.046 1.00 14.24 C ATOM 1054 O LYS A 161 25.532 -3.850 -1.294 1.00 1.01 O ATOM 1055 CB LYS A 161 27.236 -6.152 -2.384 1.00 21.13 C ATOM 1056 CG LYS A 161 28.274 -7.256 -2.525 1.00 22.54 C ATOM 1057 CD LYS A 161 27.645 -8.551 -3.006 1.00 61.53 C ATOM 1058 CE LYS A 161 28.692 -9.606 -3.340 1.00 44.41 C ATOM 1059 NZ LYS A 161 29.510 -9.985 -2.158 1.00 15.24 N ATOM 0 H LYS A 161 26.455 -7.995 -0.901 1.00 34.40 H new ATOM 0 HA LYS A 161 27.488 -5.402 -0.376 1.00 65.04 H new ATOM 0 HB2 LYS A 161 26.386 -6.391 -3.023 1.00 21.13 H new ATOM 0 HB3 LYS A 161 27.665 -5.223 -2.759 1.00 21.13 H new ATOM 0 HG2 LYS A 161 29.047 -6.943 -3.227 1.00 22.54 H new ATOM 0 HG3 LYS A 161 28.763 -7.422 -1.565 1.00 22.54 H new ATOM 0 HD2 LYS A 161 26.975 -8.936 -2.237 1.00 61.53 H new ATOM 0 HD3 LYS A 161 27.037 -8.352 -3.888 1.00 61.53 H new ATOM 0 HE2 LYS A 161 28.197 -10.493 -3.736 1.00 44.41 H new ATOM 0 HE3 LYS A 161 29.346 -9.229 -4.126 1.00 44.41 H new ATOM 0 HZ1 LYS A 161 29.902 -10.938 -2.298 1.00 15.24 H new ATOM 0 HZ2 LYS A 161 30.287 -9.304 -2.041 1.00 15.24 H new ATOM 0 HZ3 LYS A 161 28.913 -9.978 -1.306 1.00 15.24 H new ATOM 1073 N ILE A 162 24.328 -5.686 -0.839 1.00 33.31 N ATOM 1074 CA ILE A 162 23.048 -5.038 -1.034 1.00 55.21 C ATOM 1075 C ILE A 162 22.438 -4.586 0.286 1.00 4.21 C ATOM 1076 O ILE A 162 22.135 -3.411 0.457 1.00 23.11 O ATOM 1077 CB ILE A 162 22.083 -5.990 -1.762 1.00 23.24 C ATOM 1078 CG1 ILE A 162 22.628 -6.296 -3.157 1.00 3.21 C ATOM 1079 CG2 ILE A 162 20.688 -5.392 -1.842 1.00 44.13 C ATOM 1080 CD1 ILE A 162 21.910 -7.423 -3.857 1.00 52.30 C ATOM 0 H ILE A 162 24.265 -6.657 -0.533 1.00 33.31 H new ATOM 0 HA ILE A 162 23.214 -4.150 -1.644 1.00 55.21 H new ATOM 0 HB ILE A 162 22.008 -6.920 -1.198 1.00 23.24 H new ATOM 0 HG12 ILE A 162 22.558 -5.397 -3.769 1.00 3.21 H new ATOM 0 HG13 ILE A 162 23.686 -6.546 -3.077 1.00 3.21 H new ATOM 0 HG21 ILE A 162 20.025 -6.084 -2.361 1.00 44.13 H new ATOM 0 HG22 ILE A 162 20.310 -5.213 -0.835 1.00 44.13 H new ATOM 0 HG23 ILE A 162 20.727 -4.449 -2.387 1.00 44.13 H new ATOM 0 HD11 ILE A 162 22.353 -7.581 -4.840 1.00 52.30 H new ATOM 0 HD12 ILE A 162 22.001 -8.335 -3.267 1.00 52.30 H new ATOM 0 HD13 ILE A 162 20.856 -7.168 -3.970 1.00 52.30 H new ATOM 1092 N VAL A 163 22.291 -5.519 1.221 1.00 35.20 N ATOM 1093 CA VAL A 163 21.609 -5.254 2.488 1.00 15.22 C ATOM 1094 C VAL A 163 22.293 -4.163 3.316 1.00 1.03 C ATOM 1095 O VAL A 163 21.666 -3.554 4.184 1.00 11.50 O ATOM 1096 CB VAL A 163 21.495 -6.533 3.342 1.00 63.34 C ATOM 1097 CG1 VAL A 163 20.611 -7.558 2.653 1.00 11.22 C ATOM 1098 CG2 VAL A 163 22.870 -7.118 3.630 1.00 64.11 C ATOM 0 H VAL A 163 22.637 -6.474 1.126 1.00 35.20 H new ATOM 0 HA VAL A 163 20.614 -4.901 2.217 1.00 15.22 H new ATOM 0 HB VAL A 163 21.035 -6.266 4.293 1.00 63.34 H new ATOM 0 HG11 VAL A 163 20.543 -8.453 3.271 1.00 11.22 H new ATOM 0 HG12 VAL A 163 19.615 -7.140 2.508 1.00 11.22 H new ATOM 0 HG13 VAL A 163 21.040 -7.817 1.685 1.00 11.22 H new ATOM 0 HG21 VAL A 163 22.763 -8.019 4.234 1.00 64.11 H new ATOM 0 HG22 VAL A 163 23.363 -7.367 2.691 1.00 64.11 H new ATOM 0 HG23 VAL A 163 23.470 -6.387 4.172 1.00 64.11 H new ATOM 1108 N ILE A 164 23.574 -3.926 3.060 1.00 35.22 N ATOM 1109 CA ILE A 164 24.310 -2.887 3.775 1.00 63.30 C ATOM 1110 C ILE A 164 23.789 -1.498 3.415 1.00 60.33 C ATOM 1111 O ILE A 164 23.825 -0.575 4.231 1.00 51.15 O ATOM 1112 CB ILE A 164 25.832 -2.975 3.515 1.00 52.21 C ATOM 1113 CG1 ILE A 164 26.143 -3.126 2.021 1.00 51.34 C ATOM 1114 CG2 ILE A 164 26.430 -4.132 4.301 1.00 32.31 C ATOM 1115 CD1 ILE A 164 26.339 -1.821 1.283 1.00 0.20 C ATOM 0 H ILE A 164 24.123 -4.435 2.367 1.00 35.22 H new ATOM 0 HA ILE A 164 24.145 -3.055 4.839 1.00 63.30 H new ATOM 0 HB ILE A 164 26.284 -2.042 3.852 1.00 52.21 H new ATOM 0 HG12 ILE A 164 27.044 -3.730 1.910 1.00 51.34 H new ATOM 0 HG13 ILE A 164 25.330 -3.677 1.548 1.00 51.34 H new ATOM 0 HG21 ILE A 164 27.502 -4.185 4.111 1.00 32.31 H new ATOM 0 HG22 ILE A 164 26.258 -3.976 5.366 1.00 32.31 H new ATOM 0 HG23 ILE A 164 25.960 -5.065 3.990 1.00 32.31 H new ATOM 0 HD11 ILE A 164 26.554 -2.025 0.234 1.00 0.20 H new ATOM 0 HD12 ILE A 164 25.432 -1.221 1.357 1.00 0.20 H new ATOM 0 HD13 ILE A 164 27.172 -1.275 1.725 1.00 0.20 H new ATOM 1127 N GLN A 165 23.283 -1.367 2.202 1.00 4.41 N ATOM 1128 CA GLN A 165 22.703 -0.117 1.741 1.00 65.21 C ATOM 1129 C GLN A 165 21.184 -0.241 1.694 1.00 14.22 C ATOM 1130 O GLN A 165 20.656 -1.295 1.353 1.00 51.32 O ATOM 1131 CB GLN A 165 23.253 0.244 0.360 1.00 53.20 C ATOM 1132 CG GLN A 165 22.728 1.561 -0.183 1.00 1.11 C ATOM 1133 CD GLN A 165 23.314 1.898 -1.537 1.00 52.34 C ATOM 1134 OE1 GLN A 165 22.655 1.466 -2.596 1.00 4.03 O flip ATOM 1135 NE2 GLN A 165 24.353 2.546 -1.627 1.00 33.21 N flip ATOM 0 H GLN A 165 23.262 -2.118 1.512 1.00 4.41 H new ATOM 0 HA GLN A 165 22.971 0.679 2.436 1.00 65.21 H new ATOM 0 HB2 GLN A 165 24.341 0.291 0.413 1.00 53.20 H new ATOM 0 HB3 GLN A 165 23.003 -0.553 -0.340 1.00 53.20 H new ATOM 0 HG2 GLN A 165 21.642 1.512 -0.262 1.00 1.11 H new ATOM 0 HG3 GLN A 165 22.961 2.360 0.520 1.00 1.11 H new ATOM 0 HE21 GLN A 165 24.832 2.861 -0.784 1.00 33.21 H new ATOM 0 HE22 GLN A 165 24.737 2.769 -2.545 1.00 33.21 H new ATOM 1144 N LYS A 166 20.487 0.825 2.046 1.00 41.21 N ATOM 1145 CA LYS A 166 19.034 0.794 2.078 1.00 43.10 C ATOM 1146 C LYS A 166 18.447 1.256 0.750 1.00 43.22 C ATOM 1147 O LYS A 166 17.920 0.454 -0.012 1.00 43.25 O ATOM 1148 CB LYS A 166 18.513 1.651 3.235 1.00 72.24 C ATOM 1149 CG LYS A 166 16.998 1.779 3.291 1.00 52.24 C ATOM 1150 CD LYS A 166 16.559 2.473 4.567 1.00 33.23 C ATOM 1151 CE LYS A 166 15.053 2.669 4.625 1.00 32.00 C ATOM 1152 NZ LYS A 166 14.598 3.019 5.994 1.00 53.33 N ATOM 0 H LYS A 166 20.900 1.719 2.313 1.00 41.21 H new ATOM 0 HA LYS A 166 18.715 -0.236 2.239 1.00 43.10 H new ATOM 0 HB2 LYS A 166 18.864 1.224 4.174 1.00 72.24 H new ATOM 0 HB3 LYS A 166 18.947 2.648 3.157 1.00 72.24 H new ATOM 0 HG2 LYS A 166 16.645 2.341 2.427 1.00 52.24 H new ATOM 0 HG3 LYS A 166 16.543 0.790 3.236 1.00 52.24 H new ATOM 0 HD2 LYS A 166 16.881 1.886 5.427 1.00 33.23 H new ATOM 0 HD3 LYS A 166 17.053 3.442 4.640 1.00 33.23 H new ATOM 0 HE2 LYS A 166 14.762 3.458 3.932 1.00 32.00 H new ATOM 0 HE3 LYS A 166 14.554 1.757 4.298 1.00 32.00 H new ATOM 0 HZ1 LYS A 166 13.566 3.145 5.995 1.00 53.33 H new ATOM 0 HZ2 LYS A 166 14.854 2.255 6.651 1.00 53.33 H new ATOM 0 HZ3 LYS A 166 15.055 3.903 6.296 1.00 53.33 H new ATOM 1166 N TYR A 167 18.543 2.539 0.468 1.00 34.40 N ATOM 1167 CA TYR A 167 17.962 3.082 -0.747 1.00 13.25 C ATOM 1168 C TYR A 167 18.842 2.795 -1.958 1.00 11.14 C ATOM 1169 O TYR A 167 19.925 3.359 -2.105 1.00 15.33 O ATOM 1170 CB TYR A 167 17.714 4.582 -0.594 1.00 2.03 C ATOM 1171 CG TYR A 167 16.710 4.917 0.488 1.00 3.34 C ATOM 1172 CD1 TYR A 167 16.852 6.056 1.270 1.00 21.13 C ATOM 1173 CD2 TYR A 167 15.618 4.091 0.729 1.00 42.21 C ATOM 1174 CE1 TYR A 167 15.934 6.362 2.258 1.00 23.40 C ATOM 1175 CE2 TYR A 167 14.698 4.391 1.712 1.00 14.24 C ATOM 1176 CZ TYR A 167 14.860 5.527 2.474 1.00 31.00 C ATOM 1177 OH TYR A 167 13.944 5.825 3.459 1.00 25.33 O ATOM 0 H TYR A 167 19.015 3.224 1.059 1.00 34.40 H new ATOM 0 HA TYR A 167 17.004 2.589 -0.914 1.00 13.25 H new ATOM 0 HB2 TYR A 167 18.658 5.078 -0.370 1.00 2.03 H new ATOM 0 HB3 TYR A 167 17.361 4.983 -1.544 1.00 2.03 H new ATOM 0 HD1 TYR A 167 17.693 6.713 1.104 1.00 21.13 H new ATOM 0 HD2 TYR A 167 15.488 3.198 0.136 1.00 42.21 H new ATOM 0 HE1 TYR A 167 16.059 7.252 2.858 1.00 23.40 H new ATOM 0 HE2 TYR A 167 13.855 3.738 1.883 1.00 14.24 H new ATOM 0 HH TYR A 167 13.249 5.135 3.479 1.00 25.33 H new ATOM 1187 N HIS A 168 18.366 1.897 -2.809 1.00 43.02 N ATOM 1188 CA HIS A 168 19.054 1.547 -4.045 1.00 43.10 C ATOM 1189 C HIS A 168 18.322 2.149 -5.239 1.00 65.32 C ATOM 1190 O HIS A 168 17.136 2.476 -5.147 1.00 11.22 O ATOM 1191 CB HIS A 168 19.133 0.023 -4.215 1.00 41.43 C ATOM 1192 CG HIS A 168 20.098 -0.666 -3.294 1.00 31.32 C ATOM 1193 ND1 HIS A 168 21.311 -1.134 -3.747 1.00 15.03 N ATOM 1194 CD2 HIS A 168 19.973 -0.976 -1.980 1.00 4.01 C ATOM 1195 CE1 HIS A 168 21.889 -1.715 -2.710 1.00 62.23 C ATOM 1196 NE2 HIS A 168 21.114 -1.642 -1.619 1.00 22.54 N ATOM 0 H HIS A 168 17.493 1.391 -2.663 1.00 43.02 H new ATOM 0 HA HIS A 168 20.066 1.949 -3.994 1.00 43.10 H new ATOM 0 HB2 HIS A 168 18.140 -0.398 -4.058 1.00 41.43 H new ATOM 0 HB3 HIS A 168 19.414 -0.199 -5.244 1.00 41.43 H new ATOM 0 HD2 HIS A 168 19.134 -0.743 -1.341 1.00 4.01 H new ATOM 0 HE1 HIS A 168 22.860 -2.187 -2.738 1.00 62.23 H new ATOM 0 HE2 HIS A 168 21.333 -2.013 -0.694 1.00 22.54 H new ATOM 1204 N THR A 169 19.024 2.301 -6.350 1.00 34.32 N ATOM 1205 CA THR A 169 18.414 2.807 -7.569 1.00 71.42 C ATOM 1206 C THR A 169 17.998 1.655 -8.487 1.00 43.11 C ATOM 1207 O THR A 169 18.829 1.071 -9.181 1.00 71.50 O ATOM 1208 CB THR A 169 19.379 3.738 -8.331 1.00 2.12 C ATOM 1209 OG1 THR A 169 19.923 4.720 -7.436 1.00 31.44 O ATOM 1210 CG2 THR A 169 18.665 4.440 -9.480 1.00 32.10 C ATOM 0 H THR A 169 20.017 2.081 -6.433 1.00 34.32 H new ATOM 0 HA THR A 169 17.530 3.375 -7.277 1.00 71.42 H new ATOM 0 HB THR A 169 20.185 3.129 -8.741 1.00 2.12 H new ATOM 0 HG1 THR A 169 20.536 5.306 -7.927 1.00 31.44 H new ATOM 0 HG21 THR A 169 19.367 5.091 -10.001 1.00 32.10 H new ATOM 0 HG22 THR A 169 18.275 3.696 -10.175 1.00 32.10 H new ATOM 0 HG23 THR A 169 17.842 5.036 -9.087 1.00 32.10 H new ATOM 1218 N VAL A 170 16.712 1.329 -8.475 1.00 11.00 N ATOM 1219 CA VAL A 170 16.172 0.263 -9.316 1.00 45.50 C ATOM 1220 C VAL A 170 15.174 0.849 -10.307 1.00 62.13 C ATOM 1221 O VAL A 170 14.320 1.642 -9.919 1.00 14.35 O ATOM 1222 CB VAL A 170 15.466 -0.825 -8.472 1.00 13.01 C ATOM 1223 CG1 VAL A 170 14.980 -1.965 -9.353 1.00 23.42 C ATOM 1224 CG2 VAL A 170 16.386 -1.347 -7.379 1.00 71.30 C ATOM 0 H VAL A 170 16.017 1.790 -7.888 1.00 11.00 H new ATOM 0 HA VAL A 170 17.006 -0.199 -9.845 1.00 45.50 H new ATOM 0 HB VAL A 170 14.598 -0.369 -7.996 1.00 13.01 H new ATOM 0 HG11 VAL A 170 14.487 -2.717 -8.736 1.00 23.42 H new ATOM 0 HG12 VAL A 170 14.274 -1.580 -10.089 1.00 23.42 H new ATOM 0 HG13 VAL A 170 15.829 -2.416 -9.866 1.00 23.42 H new ATOM 0 HG21 VAL A 170 15.866 -2.110 -6.800 1.00 71.30 H new ATOM 0 HG22 VAL A 170 17.279 -1.779 -7.831 1.00 71.30 H new ATOM 0 HG23 VAL A 170 16.673 -0.526 -6.722 1.00 71.30 H new ATOM 1234 N ASN A 171 15.294 0.476 -11.585 1.00 60.13 N ATOM 1235 CA ASN A 171 14.418 1.012 -12.637 1.00 50.25 C ATOM 1236 C ASN A 171 14.643 2.526 -12.782 1.00 65.34 C ATOM 1237 O ASN A 171 13.830 3.256 -13.349 1.00 71.51 O ATOM 1238 CB ASN A 171 12.945 0.661 -12.311 1.00 31.24 C ATOM 1239 CG ASN A 171 11.921 1.234 -13.283 1.00 44.03 C ATOM 1240 OD1 ASN A 171 11.674 0.535 -14.378 1.00 61.23 O flip ATOM 1241 ND2 ASN A 171 11.349 2.297 -13.045 1.00 55.23 N flip ATOM 0 H ASN A 171 15.987 -0.194 -11.918 1.00 60.13 H new ATOM 0 HA ASN A 171 14.659 0.557 -13.598 1.00 50.25 H new ATOM 0 HB2 ASN A 171 12.840 -0.424 -12.293 1.00 31.24 H new ATOM 0 HB3 ASN A 171 12.714 1.020 -11.308 1.00 31.24 H new ATOM 0 HD21 ASN A 171 11.563 2.811 -12.191 1.00 55.23 H new ATOM 0 HD22 ASN A 171 10.661 2.664 -13.702 1.00 55.23 H new ATOM 1248 N GLY A 172 15.797 2.983 -12.304 1.00 53.31 N ATOM 1249 CA GLY A 172 16.092 4.401 -12.292 1.00 63.41 C ATOM 1250 C GLY A 172 15.298 5.127 -11.227 1.00 24.12 C ATOM 1251 O GLY A 172 15.131 6.343 -11.279 1.00 35.21 O ATOM 0 H GLY A 172 16.535 2.391 -11.923 1.00 53.31 H new ATOM 0 HA2 GLY A 172 17.157 4.550 -12.117 1.00 63.41 H new ATOM 0 HA3 GLY A 172 15.867 4.828 -13.269 1.00 63.41 H new ATOM 1255 N HIS A 173 14.809 4.369 -10.258 1.00 74.12 N ATOM 1256 CA HIS A 173 13.971 4.903 -9.199 1.00 73.05 C ATOM 1257 C HIS A 173 14.569 4.550 -7.840 1.00 41.24 C ATOM 1258 O HIS A 173 15.236 3.526 -7.700 1.00 32.30 O ATOM 1259 CB HIS A 173 12.559 4.323 -9.339 1.00 2.21 C ATOM 1260 CG HIS A 173 11.547 4.919 -8.416 1.00 22.45 C ATOM 1261 ND1 HIS A 173 11.046 4.212 -7.352 1.00 11.22 N ATOM 1262 CD2 HIS A 173 10.951 6.132 -8.460 1.00 31.43 C ATOM 1263 CE1 HIS A 173 10.162 5.004 -6.777 1.00 50.32 C ATOM 1264 NE2 HIS A 173 10.067 6.179 -7.414 1.00 30.41 N ATOM 0 H HIS A 173 14.983 3.367 -10.185 1.00 74.12 H new ATOM 0 HA HIS A 173 13.918 5.989 -9.277 1.00 73.05 H new ATOM 0 HB2 HIS A 173 12.223 4.465 -10.366 1.00 2.21 H new ATOM 0 HB3 HIS A 173 12.603 3.248 -9.163 1.00 2.21 H new ATOM 0 HD1 HIS A 173 11.304 3.268 -7.065 1.00 11.22 H new ATOM 0 HD2 HIS A 173 11.136 6.914 -9.181 1.00 31.43 H new ATOM 0 HE1 HIS A 173 9.587 4.739 -5.902 1.00 50.32 H new ATOM 1272 N ASN A 174 14.351 5.402 -6.850 1.00 31.14 N ATOM 1273 CA ASN A 174 14.884 5.159 -5.516 1.00 1.10 C ATOM 1274 C ASN A 174 13.937 4.284 -4.705 1.00 35.33 C ATOM 1275 O ASN A 174 12.802 4.672 -4.424 1.00 14.22 O ATOM 1276 CB ASN A 174 15.132 6.480 -4.784 1.00 3.14 C ATOM 1277 CG ASN A 174 15.696 6.272 -3.392 1.00 11.12 C ATOM 1278 OD1 ASN A 174 16.907 6.140 -3.214 1.00 60.52 O ATOM 1279 ND2 ASN A 174 14.826 6.261 -2.393 1.00 54.22 N ATOM 0 H ASN A 174 13.812 6.263 -6.943 1.00 31.14 H new ATOM 0 HA ASN A 174 15.834 4.635 -5.625 1.00 1.10 H new ATOM 0 HB2 ASN A 174 15.823 7.090 -5.366 1.00 3.14 H new ATOM 0 HB3 ASN A 174 14.197 7.035 -4.715 1.00 3.14 H new ATOM 0 HD21 ASN A 174 15.152 6.140 -1.434 1.00 54.22 H new ATOM 0 HD22 ASN A 174 13.830 6.374 -2.583 1.00 54.22 H new ATOM 1286 N CYS A 175 14.414 3.108 -4.327 1.00 32.20 N ATOM 1287 CA CYS A 175 13.611 2.163 -3.568 1.00 20.51 C ATOM 1288 C CYS A 175 14.378 1.690 -2.335 1.00 44.45 C ATOM 1289 O CYS A 175 15.605 1.785 -2.291 1.00 63.25 O ATOM 1290 CB CYS A 175 13.252 0.969 -4.454 1.00 40.33 C ATOM 1291 SG CYS A 175 12.559 1.428 -6.063 1.00 14.23 S ATOM 0 H CYS A 175 15.359 2.784 -4.535 1.00 32.20 H new ATOM 0 HA CYS A 175 12.695 2.655 -3.240 1.00 20.51 H new ATOM 0 HB2 CYS A 175 14.146 0.366 -4.614 1.00 40.33 H new ATOM 0 HB3 CYS A 175 12.534 0.341 -3.926 1.00 40.33 H new ATOM 0 HG CYS A 175 11.287 1.663 -5.936 1.00 14.23 H new ATOM 1297 N GLU A 176 13.660 1.190 -1.338 1.00 72.23 N ATOM 1298 CA GLU A 176 14.289 0.697 -0.120 1.00 72.13 C ATOM 1299 C GLU A 176 14.622 -0.778 -0.248 1.00 5.22 C ATOM 1300 O GLU A 176 13.812 -1.570 -0.727 1.00 24.05 O ATOM 1301 CB GLU A 176 13.382 0.900 1.097 1.00 72.42 C ATOM 1302 CG GLU A 176 13.904 0.203 2.346 1.00 43.32 C ATOM 1303 CD GLU A 176 12.835 -0.047 3.388 1.00 5.41 C ATOM 1304 OE1 GLU A 176 12.852 0.628 4.437 1.00 50.21 O ATOM 1305 OE2 GLU A 176 11.995 -0.944 3.176 1.00 61.12 O ATOM 0 H GLU A 176 12.643 1.115 -1.349 1.00 72.23 H new ATOM 0 HA GLU A 176 15.206 1.268 0.023 1.00 72.13 H new ATOM 0 HB2 GLU A 176 13.283 1.967 1.297 1.00 72.42 H new ATOM 0 HB3 GLU A 176 12.385 0.525 0.867 1.00 72.42 H new ATOM 0 HG2 GLU A 176 14.352 -0.749 2.061 1.00 43.32 H new ATOM 0 HG3 GLU A 176 14.696 0.809 2.787 1.00 43.32 H new ATOM 1312 N VAL A 177 15.819 -1.138 0.173 1.00 70.23 N ATOM 1313 CA VAL A 177 16.231 -2.521 0.205 1.00 65.22 C ATOM 1314 C VAL A 177 16.788 -2.882 1.577 1.00 13.23 C ATOM 1315 O VAL A 177 17.601 -2.154 2.147 1.00 1.53 O ATOM 1316 CB VAL A 177 17.289 -2.827 -0.872 1.00 21.24 C ATOM 1317 CG1 VAL A 177 17.702 -4.284 -0.808 1.00 24.32 C ATOM 1318 CG2 VAL A 177 16.765 -2.481 -2.256 1.00 12.34 C ATOM 0 H VAL A 177 16.527 -0.481 0.500 1.00 70.23 H new ATOM 0 HA VAL A 177 15.347 -3.124 -0.001 1.00 65.22 H new ATOM 0 HB VAL A 177 18.166 -2.209 -0.677 1.00 21.24 H new ATOM 0 HG11 VAL A 177 18.450 -4.484 -1.575 1.00 24.32 H new ATOM 0 HG12 VAL A 177 18.123 -4.500 0.174 1.00 24.32 H new ATOM 0 HG13 VAL A 177 16.831 -4.917 -0.977 1.00 24.32 H new ATOM 0 HG21 VAL A 177 17.529 -2.705 -3.001 1.00 12.34 H new ATOM 0 HG22 VAL A 177 15.871 -3.069 -2.464 1.00 12.34 H new ATOM 0 HG23 VAL A 177 16.519 -1.420 -2.297 1.00 12.34 H new ATOM 1328 N ARG A 178 16.319 -3.997 2.106 1.00 70.35 N ATOM 1329 CA ARG A 178 16.801 -4.522 3.372 1.00 52.33 C ATOM 1330 C ARG A 178 16.667 -6.037 3.376 1.00 62.04 C ATOM 1331 O ARG A 178 16.256 -6.621 2.375 1.00 61.13 O ATOM 1332 CB ARG A 178 16.038 -3.901 4.548 1.00 14.00 C ATOM 1333 CG ARG A 178 14.551 -3.711 4.296 1.00 62.12 C ATOM 1334 CD ARG A 178 13.859 -3.097 5.503 1.00 32.14 C ATOM 1335 NE ARG A 178 12.517 -2.622 5.183 1.00 3.24 N ATOM 1336 CZ ARG A 178 11.444 -2.811 5.947 1.00 61.31 C ATOM 1337 NH1 ARG A 178 11.536 -3.499 7.081 1.00 51.23 N ATOM 1338 NH2 ARG A 178 10.282 -2.300 5.578 1.00 31.43 N ATOM 0 H ARG A 178 15.593 -4.565 1.670 1.00 70.35 H new ATOM 0 HA ARG A 178 17.852 -4.259 3.489 1.00 52.33 H new ATOM 0 HB2 ARG A 178 16.168 -4.534 5.426 1.00 14.00 H new ATOM 0 HB3 ARG A 178 16.482 -2.934 4.784 1.00 14.00 H new ATOM 0 HG2 ARG A 178 14.407 -3.070 3.426 1.00 62.12 H new ATOM 0 HG3 ARG A 178 14.094 -4.673 4.062 1.00 62.12 H new ATOM 0 HD2 ARG A 178 13.801 -3.836 6.302 1.00 32.14 H new ATOM 0 HD3 ARG A 178 14.457 -2.267 5.880 1.00 32.14 H new ATOM 0 HE ARG A 178 12.392 -2.108 4.311 1.00 3.24 H new ATOM 0 HH11 ARG A 178 12.434 -3.886 7.371 1.00 51.23 H new ATOM 0 HH12 ARG A 178 10.709 -3.639 7.661 1.00 51.23 H new ATOM 0 HH21 ARG A 178 10.212 -1.765 4.713 1.00 31.43 H new ATOM 0 HH22 ARG A 178 9.455 -2.441 6.159 1.00 31.43 H new ATOM 1352 N LYS A 179 17.019 -6.677 4.482 1.00 51.42 N ATOM 1353 CA LYS A 179 16.916 -8.129 4.571 1.00 23.25 C ATOM 1354 C LYS A 179 15.454 -8.557 4.575 1.00 72.13 C ATOM 1355 O LYS A 179 14.649 -8.016 5.336 1.00 42.33 O ATOM 1356 CB LYS A 179 17.590 -8.668 5.839 1.00 54.34 C ATOM 1357 CG LYS A 179 19.096 -8.483 5.897 1.00 25.33 C ATOM 1358 CD LYS A 179 19.491 -7.151 6.514 1.00 3.31 C ATOM 1359 CE LYS A 179 20.986 -7.105 6.771 1.00 63.32 C ATOM 1360 NZ LYS A 179 21.392 -5.917 7.562 1.00 31.40 N ATOM 0 H LYS A 179 17.375 -6.221 5.322 1.00 51.42 H new ATOM 0 HA LYS A 179 17.426 -8.541 3.700 1.00 23.25 H new ATOM 0 HB2 LYS A 179 17.146 -8.177 6.705 1.00 54.34 H new ATOM 0 HB3 LYS A 179 17.367 -9.731 5.926 1.00 54.34 H new ATOM 0 HG2 LYS A 179 19.537 -9.294 6.476 1.00 25.33 H new ATOM 0 HG3 LYS A 179 19.507 -8.550 4.890 1.00 25.33 H new ATOM 0 HD2 LYS A 179 19.206 -6.337 5.848 1.00 3.31 H new ATOM 0 HD3 LYS A 179 18.951 -7.003 7.449 1.00 3.31 H new ATOM 0 HE2 LYS A 179 21.288 -8.009 7.299 1.00 63.32 H new ATOM 0 HE3 LYS A 179 21.515 -7.101 5.818 1.00 63.32 H new ATOM 0 HZ1 LYS A 179 22.421 -5.933 7.709 1.00 31.40 H new ATOM 0 HZ2 LYS A 179 21.130 -5.052 7.048 1.00 31.40 H new ATOM 0 HZ3 LYS A 179 20.910 -5.932 8.483 1.00 31.40 H new ATOM 1374 N ALA A 180 15.112 -9.514 3.725 1.00 73.04 N ATOM 1375 CA ALA A 180 13.760 -10.050 3.700 1.00 73.30 C ATOM 1376 C ALA A 180 13.597 -11.177 4.713 1.00 3.33 C ATOM 1377 O ALA A 180 13.889 -12.337 4.420 1.00 44.20 O ATOM 1378 CB ALA A 180 13.395 -10.535 2.307 1.00 52.54 C ATOM 0 H ALA A 180 15.748 -9.933 3.047 1.00 73.04 H new ATOM 0 HA ALA A 180 13.080 -9.244 3.974 1.00 73.30 H new ATOM 0 HB1 ALA A 180 12.380 -10.931 2.314 1.00 52.54 H new ATOM 0 HB2 ALA A 180 13.455 -9.703 1.605 1.00 52.54 H new ATOM 0 HB3 ALA A 180 14.088 -11.319 2.001 1.00 52.54 H new ATOM 1384 N LEU A 181 13.150 -10.828 5.911 1.00 24.45 N ATOM 1385 CA LEU A 181 12.876 -11.823 6.938 1.00 5.11 C ATOM 1386 C LEU A 181 11.504 -12.438 6.699 1.00 62.53 C ATOM 1387 O LEU A 181 10.546 -11.722 6.405 1.00 50.22 O ATOM 1388 CB LEU A 181 12.954 -11.215 8.354 1.00 41.10 C ATOM 1389 CG LEU A 181 11.801 -10.291 8.778 1.00 51.52 C ATOM 1390 CD1 LEU A 181 11.904 -9.981 10.262 1.00 43.13 C ATOM 1391 CD2 LEU A 181 11.799 -8.995 7.976 1.00 51.43 C ATOM 0 H LEU A 181 12.970 -9.865 6.195 1.00 24.45 H new ATOM 0 HA LEU A 181 13.639 -12.599 6.874 1.00 5.11 H new ATOM 0 HB2 LEU A 181 13.015 -12.033 9.072 1.00 41.10 H new ATOM 0 HB3 LEU A 181 13.885 -10.653 8.431 1.00 41.10 H new ATOM 0 HG LEU A 181 10.864 -10.811 8.578 1.00 51.52 H new ATOM 0 HD11 LEU A 181 11.084 -9.326 10.555 1.00 43.13 H new ATOM 0 HD12 LEU A 181 11.849 -10.908 10.832 1.00 43.13 H new ATOM 0 HD13 LEU A 181 12.854 -9.486 10.465 1.00 43.13 H new ATOM 0 HD21 LEU A 181 10.971 -8.366 8.302 1.00 51.43 H new ATOM 0 HD22 LEU A 181 12.739 -8.467 8.135 1.00 51.43 H new ATOM 0 HD23 LEU A 181 11.686 -9.223 6.916 1.00 51.43 H new ATOM 1403 N SER A 182 11.423 -13.761 6.806 1.00 12.24 N ATOM 1404 CA SER A 182 10.182 -14.491 6.556 1.00 75.34 C ATOM 1405 C SER A 182 9.017 -13.892 7.338 1.00 22.10 C ATOM 1406 O SER A 182 9.185 -13.453 8.476 1.00 5.44 O ATOM 1407 CB SER A 182 10.365 -15.957 6.948 1.00 34.41 C ATOM 1408 OG SER A 182 11.590 -16.466 6.449 1.00 71.31 O ATOM 0 H SER A 182 12.210 -14.355 7.067 1.00 12.24 H new ATOM 0 HA SER A 182 9.950 -14.415 5.494 1.00 75.34 H new ATOM 0 HB2 SER A 182 10.342 -16.053 8.034 1.00 34.41 H new ATOM 0 HB3 SER A 182 9.536 -16.548 6.559 1.00 34.41 H new ATOM 0 HG SER A 182 12.232 -16.554 7.185 1.00 71.31 H new ATOM 1414 N LYS A 183 7.841 -13.875 6.722 1.00 42.42 N ATOM 1415 CA LYS A 183 6.643 -13.354 7.372 1.00 25.35 C ATOM 1416 C LYS A 183 6.358 -14.128 8.656 1.00 25.43 C ATOM 1417 O LYS A 183 5.849 -13.576 9.630 1.00 51.32 O ATOM 1418 CB LYS A 183 5.437 -13.421 6.425 1.00 12.04 C ATOM 1419 CG LYS A 183 5.222 -14.787 5.801 1.00 41.44 C ATOM 1420 CD LYS A 183 3.882 -14.872 5.099 1.00 44.11 C ATOM 1421 CE LYS A 183 3.985 -15.617 3.783 1.00 60.42 C ATOM 1422 NZ LYS A 183 4.603 -16.964 3.921 1.00 3.21 N ATOM 0 H LYS A 183 7.691 -14.216 5.773 1.00 42.42 H new ATOM 0 HA LYS A 183 6.817 -12.309 7.627 1.00 25.35 H new ATOM 0 HB2 LYS A 183 4.539 -13.138 6.975 1.00 12.04 H new ATOM 0 HB3 LYS A 183 5.569 -12.686 5.631 1.00 12.04 H new ATOM 0 HG2 LYS A 183 6.021 -14.993 5.089 1.00 41.44 H new ATOM 0 HG3 LYS A 183 5.279 -15.554 6.573 1.00 41.44 H new ATOM 0 HD2 LYS A 183 3.163 -15.374 5.746 1.00 44.11 H new ATOM 0 HD3 LYS A 183 3.501 -13.867 4.919 1.00 44.11 H new ATOM 0 HE2 LYS A 183 2.989 -15.723 3.354 1.00 60.42 H new ATOM 0 HE3 LYS A 183 4.573 -15.024 3.082 1.00 60.42 H new ATOM 0 HZ1 LYS A 183 4.464 -17.502 3.042 1.00 3.21 H new ATOM 0 HZ2 LYS A 183 5.621 -16.861 4.107 1.00 3.21 H new ATOM 0 HZ3 LYS A 183 4.156 -17.472 4.711 1.00 3.21 H new ATOM 1436 N GLN A 184 6.719 -15.404 8.648 1.00 10.04 N ATOM 1437 CA GLN A 184 6.566 -16.261 9.815 1.00 13.34 C ATOM 1438 C GLN A 184 7.465 -15.780 10.955 1.00 60.31 C ATOM 1439 O GLN A 184 7.079 -15.807 12.124 1.00 52.21 O ATOM 1440 CB GLN A 184 6.930 -17.698 9.444 1.00 15.21 C ATOM 1441 CG GLN A 184 6.437 -18.733 10.441 1.00 12.34 C ATOM 1442 CD GLN A 184 6.952 -20.122 10.128 1.00 10.01 C ATOM 1443 OE1 GLN A 184 6.334 -20.875 9.373 1.00 40.00 O ATOM 1444 NE2 GLN A 184 8.087 -20.471 10.705 1.00 50.30 N ATOM 0 H GLN A 184 7.124 -15.872 7.837 1.00 10.04 H new ATOM 0 HA GLN A 184 5.529 -16.220 10.148 1.00 13.34 H new ATOM 0 HB2 GLN A 184 6.515 -17.926 8.462 1.00 15.21 H new ATOM 0 HB3 GLN A 184 8.014 -17.778 9.358 1.00 15.21 H new ATOM 0 HG2 GLN A 184 6.754 -18.448 11.444 1.00 12.34 H new ATOM 0 HG3 GLN A 184 5.347 -18.743 10.442 1.00 12.34 H new ATOM 0 HE21 GLN A 184 8.567 -19.817 11.324 1.00 50.30 H new ATOM 0 HE22 GLN A 184 8.484 -21.395 10.532 1.00 50.30 H new ATOM 1453 N GLU A 185 8.658 -15.322 10.590 1.00 24.44 N ATOM 1454 CA GLU A 185 9.655 -14.895 11.563 1.00 53.54 C ATOM 1455 C GLU A 185 9.410 -13.459 12.004 1.00 15.24 C ATOM 1456 O GLU A 185 9.594 -13.120 13.173 1.00 51.10 O ATOM 1457 CB GLU A 185 11.061 -15.029 10.975 1.00 10.20 C ATOM 1458 CG GLU A 185 11.422 -16.454 10.589 1.00 4.11 C ATOM 1459 CD GLU A 185 12.806 -16.567 9.982 1.00 32.52 C ATOM 1460 OE1 GLU A 185 13.784 -16.722 10.744 1.00 42.32 O ATOM 1461 OE2 GLU A 185 12.923 -16.517 8.739 1.00 21.34 O ATOM 0 H GLU A 185 8.959 -15.237 9.619 1.00 24.44 H new ATOM 0 HA GLU A 185 9.570 -15.540 12.437 1.00 53.54 H new ATOM 0 HB2 GLU A 185 11.141 -14.391 10.095 1.00 10.20 H new ATOM 0 HB3 GLU A 185 11.787 -14.662 11.701 1.00 10.20 H new ATOM 0 HG2 GLU A 185 11.365 -17.090 11.472 1.00 4.11 H new ATOM 0 HG3 GLU A 185 10.687 -16.830 9.878 1.00 4.11 H new ATOM 1468 N MET A 186 8.980 -12.612 11.073 1.00 40.31 N ATOM 1469 CA MET A 186 8.703 -11.217 11.398 1.00 70.10 C ATOM 1470 C MET A 186 7.499 -11.121 12.324 1.00 21.00 C ATOM 1471 O MET A 186 7.331 -10.135 13.040 1.00 54.31 O ATOM 1472 CB MET A 186 8.464 -10.378 10.136 1.00 71.04 C ATOM 1473 CG MET A 186 7.073 -10.525 9.539 1.00 3.32 C ATOM 1474 SD MET A 186 6.696 -9.229 8.342 1.00 70.42 S ATOM 1475 CE MET A 186 8.081 -9.397 7.222 1.00 14.31 C ATOM 0 H MET A 186 8.817 -12.864 10.098 1.00 40.31 H new ATOM 0 HA MET A 186 9.581 -10.816 11.905 1.00 70.10 H new ATOM 0 HB2 MET A 186 8.635 -9.328 10.374 1.00 71.04 H new ATOM 0 HB3 MET A 186 9.201 -10.658 9.383 1.00 71.04 H new ATOM 0 HG2 MET A 186 6.990 -11.498 9.055 1.00 3.32 H new ATOM 0 HG3 MET A 186 6.333 -10.503 10.339 1.00 3.32 H new ATOM 0 HE1 MET A 186 7.766 -9.136 6.212 1.00 14.31 H new ATOM 0 HE2 MET A 186 8.885 -8.731 7.535 1.00 14.31 H new ATOM 0 HE3 MET A 186 8.437 -10.427 7.236 1.00 14.31 H new