USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 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 124 TYR OH : rot 72:sc= 0.805 USER MOD Set 1.2: A 128 TYR OH : rot 30:sc= 0.667 USER MOD Set 1.3: A 165 GLN : amide:sc= -0.409 X(o=-2.2,f=-1.9) USER MOD Set 1.4: A 168 HIS : no HD1:sc= -3.22! C(o=-2.2!,f=-6.5!) USER MOD Set 2.1: A 119 HIS : no HE2:sc= -1.56 K(o=-2,f=-0.88) USER MOD Set 2.2: A 120 HIS : no HE2:sc= -0.0914 K(o=-2,f=-3.3!) USER MOD Set 2.3: A 171 ASN : amide:sc= -0.37 K(o=-2,f=-0.88) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 171:sc= 0.412 (180deg=0.262) USER MOD Single : A 127 GLN : amide:sc= 0.752 K(o=0.75,f=-0.18) USER MOD Single : A 130 LYS NZ :NH3+ -168:sc= 0.926 (180deg=0.812) USER MOD Single : A 137 MET CE :methyl 142:sc= -0.399 (180deg=-1.66!) USER MOD Single : A 152 THR OG1 : rot 169:sc= -2.64! USER MOD Single : A 156 HIS : no HD1:sc= -0.645 K(o=-0.64,f=-0.14) USER MOD Single : A 158 SER OG : rot -126:sc= 0.181 USER MOD Single : A 161 LYS NZ :NH3+ 161:sc= -0.0188 (180deg=-0.236) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 173 HIS : no HD1:sc= -1.99! K(o=-2!,f=0) USER MOD Single : A 174 ASN : amide:sc= -1.64 K(o=-1.6,f=0.26) USER MOD Single : A 175 CYS SG : rot -170:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ -170:sc= -0.241 (180deg=-0.391) USER MOD Single : A 182 SER OG : rot 99:sc= 1.3 USER MOD Single : A 183 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0025) USER MOD Single : A 184 GLN : amide:sc= -0.617 K(o=-0.62,f=0) USER MOD Single : A 186 MET CE :methyl -156:sc= -0.263 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.375 -13.947 5.216 1.00 3.13 N ATOM 137 CA VAL A 104 20.150 -13.861 4.441 1.00 40.12 C ATOM 138 C VAL A 104 20.423 -14.054 2.949 1.00 25.22 C ATOM 139 O VAL A 104 21.488 -13.690 2.450 1.00 30.24 O ATOM 140 CB VAL A 104 19.457 -12.504 4.699 1.00 22.34 C ATOM 141 CG1 VAL A 104 20.318 -11.352 4.208 1.00 11.34 C ATOM 142 CG2 VAL A 104 18.074 -12.461 4.076 1.00 13.12 C ATOM 0 HA VAL A 104 19.485 -14.664 4.760 1.00 40.12 H new ATOM 0 HB VAL A 104 19.333 -12.394 5.776 1.00 22.34 H new ATOM 0 HG11 VAL A 104 19.808 -10.408 4.401 1.00 11.34 H new ATOM 0 HG12 VAL A 104 21.273 -11.362 4.733 1.00 11.34 H new ATOM 0 HG13 VAL A 104 20.491 -11.458 3.137 1.00 11.34 H new ATOM 0 HG21 VAL A 104 17.615 -11.493 4.276 1.00 13.12 H new ATOM 0 HG22 VAL A 104 18.155 -12.608 2.999 1.00 13.12 H new ATOM 0 HG23 VAL A 104 17.457 -13.251 4.505 1.00 13.12 H new ATOM 152 N LYS A 105 19.464 -14.652 2.251 1.00 64.25 N ATOM 153 CA LYS A 105 19.602 -14.924 0.827 1.00 21.34 C ATOM 154 C LYS A 105 18.474 -14.293 0.016 1.00 13.12 C ATOM 155 O LYS A 105 18.450 -14.400 -1.205 1.00 63.44 O ATOM 156 CB LYS A 105 19.651 -16.434 0.587 1.00 12.40 C ATOM 157 CG LYS A 105 21.050 -17.016 0.701 1.00 12.23 C ATOM 158 CD LYS A 105 21.038 -18.410 1.305 1.00 70.03 C ATOM 159 CE LYS A 105 20.667 -18.371 2.781 1.00 74.14 C ATOM 160 NZ LYS A 105 20.644 -19.726 3.390 1.00 15.20 N ATOM 0 H LYS A 105 18.578 -14.959 2.652 1.00 64.25 H new ATOM 0 HA LYS A 105 20.536 -14.474 0.490 1.00 21.34 H new ATOM 0 HB2 LYS A 105 18.999 -16.930 1.306 1.00 12.40 H new ATOM 0 HB3 LYS A 105 19.255 -16.650 -0.405 1.00 12.40 H new ATOM 0 HG2 LYS A 105 21.509 -17.053 -0.287 1.00 12.23 H new ATOM 0 HG3 LYS A 105 21.667 -16.360 1.315 1.00 12.23 H new ATOM 0 HD2 LYS A 105 20.327 -19.036 0.766 1.00 70.03 H new ATOM 0 HD3 LYS A 105 22.020 -18.868 1.187 1.00 70.03 H new ATOM 0 HE2 LYS A 105 21.381 -17.746 3.317 1.00 74.14 H new ATOM 0 HE3 LYS A 105 19.688 -17.906 2.896 1.00 74.14 H new ATOM 0 HZ1 LYS A 105 20.387 -19.651 4.395 1.00 15.20 H new ATOM 0 HZ2 LYS A 105 19.944 -20.316 2.897 1.00 15.20 H new ATOM 0 HZ3 LYS A 105 21.585 -20.161 3.305 1.00 15.20 H new ATOM 174 N LYS A 106 17.544 -13.636 0.688 1.00 35.42 N ATOM 175 CA LYS A 106 16.476 -12.925 -0.001 1.00 70.12 C ATOM 176 C LYS A 106 16.355 -11.511 0.539 1.00 71.14 C ATOM 177 O LYS A 106 16.441 -11.287 1.746 1.00 43.10 O ATOM 178 CB LYS A 106 15.138 -13.671 0.121 1.00 13.02 C ATOM 179 CG LYS A 106 13.968 -12.922 -0.511 1.00 20.15 C ATOM 180 CD LYS A 106 12.905 -13.868 -1.053 1.00 4.14 C ATOM 181 CE LYS A 106 12.216 -14.652 0.047 1.00 3.50 C ATOM 182 NZ LYS A 106 11.284 -15.673 -0.499 1.00 44.14 N ATOM 0 H LYS A 106 17.505 -13.579 1.706 1.00 35.42 H new ATOM 0 HA LYS A 106 16.729 -12.876 -1.060 1.00 70.12 H new ATOM 0 HB2 LYS A 106 15.231 -14.649 -0.351 1.00 13.02 H new ATOM 0 HB3 LYS A 106 14.922 -13.845 1.175 1.00 13.02 H new ATOM 0 HG2 LYS A 106 13.519 -12.260 0.230 1.00 20.15 H new ATOM 0 HG3 LYS A 106 14.337 -12.291 -1.320 1.00 20.15 H new ATOM 0 HD2 LYS A 106 12.162 -13.296 -1.608 1.00 4.14 H new ATOM 0 HD3 LYS A 106 13.364 -14.562 -1.757 1.00 4.14 H new ATOM 0 HE2 LYS A 106 12.966 -15.141 0.669 1.00 3.50 H new ATOM 0 HE3 LYS A 106 11.666 -13.966 0.691 1.00 3.50 H new ATOM 0 HZ1 LYS A 106 10.950 -16.286 0.272 1.00 44.14 H new ATOM 0 HZ2 LYS A 106 10.471 -15.199 -0.941 1.00 44.14 H new ATOM 0 HZ3 LYS A 106 11.778 -16.249 -1.210 1.00 44.14 H new ATOM 196 N ILE A 107 16.177 -10.555 -0.353 1.00 74.55 N ATOM 197 CA ILE A 107 16.074 -9.164 0.044 1.00 30.41 C ATOM 198 C ILE A 107 14.649 -8.650 -0.110 1.00 61.12 C ATOM 199 O ILE A 107 13.824 -9.262 -0.794 1.00 63.43 O ATOM 200 CB ILE A 107 17.007 -8.266 -0.780 1.00 51.13 C ATOM 201 CG1 ILE A 107 16.555 -8.231 -2.232 1.00 11.32 C ATOM 202 CG2 ILE A 107 18.440 -8.758 -0.689 1.00 33.00 C ATOM 203 CD1 ILE A 107 17.002 -6.988 -2.940 1.00 1.51 C ATOM 0 H ILE A 107 16.101 -10.716 -1.357 1.00 74.55 H new ATOM 0 HA ILE A 107 16.369 -9.122 1.092 1.00 30.41 H new ATOM 0 HB ILE A 107 16.962 -7.256 -0.372 1.00 51.13 H new ATOM 0 HG12 ILE A 107 16.948 -9.104 -2.753 1.00 11.32 H new ATOM 0 HG13 ILE A 107 15.468 -8.298 -2.273 1.00 11.32 H new ATOM 0 HG21 ILE A 107 19.086 -8.108 -1.280 1.00 33.00 H new ATOM 0 HG22 ILE A 107 18.764 -8.743 0.352 1.00 33.00 H new ATOM 0 HG23 ILE A 107 18.500 -9.776 -1.073 1.00 33.00 H new ATOM 0 HD11 ILE A 107 16.654 -7.012 -3.973 1.00 1.51 H new ATOM 0 HD12 ILE A 107 16.587 -6.114 -2.438 1.00 1.51 H new ATOM 0 HD13 ILE A 107 18.090 -6.932 -2.925 1.00 1.51 H new ATOM 215 N PHE A 108 14.378 -7.521 0.523 1.00 22.14 N ATOM 216 CA PHE A 108 13.087 -6.863 0.426 1.00 2.40 C ATOM 217 C PHE A 108 13.245 -5.544 -0.316 1.00 55.52 C ATOM 218 O PHE A 108 14.007 -4.674 0.111 1.00 43.32 O ATOM 219 CB PHE A 108 12.507 -6.616 1.824 1.00 74.44 C ATOM 220 CG PHE A 108 11.275 -5.753 1.830 1.00 51.54 C ATOM 221 CD1 PHE A 108 10.043 -6.279 1.484 1.00 52.11 C ATOM 222 CD2 PHE A 108 11.350 -4.415 2.184 1.00 41.33 C ATOM 223 CE1 PHE A 108 8.911 -5.489 1.490 1.00 5.23 C ATOM 224 CE2 PHE A 108 10.222 -3.620 2.191 1.00 52.21 C ATOM 225 CZ PHE A 108 9.001 -4.158 1.843 1.00 51.34 C ATOM 0 H PHE A 108 15.048 -7.035 1.119 1.00 22.14 H new ATOM 0 HA PHE A 108 12.399 -7.506 -0.123 1.00 2.40 H new ATOM 0 HB2 PHE A 108 12.268 -7.576 2.282 1.00 74.44 H new ATOM 0 HB3 PHE A 108 13.270 -6.147 2.445 1.00 74.44 H new ATOM 0 HD1 PHE A 108 9.966 -7.320 1.206 1.00 52.11 H new ATOM 0 HD2 PHE A 108 12.304 -3.989 2.458 1.00 41.33 H new ATOM 0 HE1 PHE A 108 7.955 -5.912 1.219 1.00 5.23 H new ATOM 0 HE2 PHE A 108 10.295 -2.579 2.468 1.00 52.21 H new ATOM 0 HZ PHE A 108 8.116 -3.539 1.847 1.00 51.34 H new ATOM 235 N VAL A 109 12.546 -5.407 -1.431 1.00 74.34 N ATOM 236 CA VAL A 109 12.629 -4.196 -2.232 1.00 24.14 C ATOM 237 C VAL A 109 11.372 -3.350 -2.071 1.00 72.10 C ATOM 238 O VAL A 109 10.273 -3.768 -2.447 1.00 30.04 O ATOM 239 CB VAL A 109 12.830 -4.518 -3.724 1.00 63.34 C ATOM 240 CG1 VAL A 109 13.176 -3.257 -4.497 1.00 43.42 C ATOM 241 CG2 VAL A 109 13.905 -5.577 -3.911 1.00 63.21 C ATOM 0 H VAL A 109 11.916 -6.118 -1.802 1.00 74.34 H new ATOM 0 HA VAL A 109 13.493 -3.637 -1.873 1.00 24.14 H new ATOM 0 HB VAL A 109 11.895 -4.917 -4.116 1.00 63.34 H new ATOM 0 HG11 VAL A 109 13.315 -3.502 -5.550 1.00 43.42 H new ATOM 0 HG12 VAL A 109 12.366 -2.535 -4.396 1.00 43.42 H new ATOM 0 HG13 VAL A 109 14.096 -2.828 -4.100 1.00 43.42 H new ATOM 0 HG21 VAL A 109 14.028 -5.787 -4.974 1.00 63.21 H new ATOM 0 HG22 VAL A 109 14.848 -5.215 -3.501 1.00 63.21 H new ATOM 0 HG23 VAL A 109 13.611 -6.490 -3.393 1.00 63.21 H new ATOM 251 N GLY A 110 11.540 -2.165 -1.505 1.00 40.34 N ATOM 252 CA GLY A 110 10.436 -1.247 -1.344 1.00 44.11 C ATOM 253 C GLY A 110 10.753 0.115 -1.924 1.00 21.22 C ATOM 254 O GLY A 110 11.891 0.378 -2.309 1.00 21.04 O ATOM 0 H GLY A 110 12.433 -1.821 -1.151 1.00 40.34 H new ATOM 0 HA2 GLY A 110 9.550 -1.653 -1.832 1.00 44.11 H new ATOM 0 HA3 GLY A 110 10.198 -1.146 -0.285 1.00 44.11 H new ATOM 347 N GLU A 117 9.013 -4.594 -11.860 1.00 1.44 N ATOM 348 CA GLU A 117 8.712 -6.015 -11.796 1.00 50.31 C ATOM 349 C GLU A 117 9.986 -6.836 -11.572 1.00 0.13 C ATOM 350 O GLU A 117 11.015 -6.306 -11.147 1.00 75.33 O ATOM 351 CB GLU A 117 8.043 -6.459 -13.098 1.00 1.44 C ATOM 352 CG GLU A 117 8.997 -6.501 -14.277 1.00 32.10 C ATOM 353 CD GLU A 117 8.751 -7.683 -15.183 1.00 21.41 C ATOM 354 OE1 GLU A 117 9.414 -8.724 -14.991 1.00 54.34 O ATOM 355 OE2 GLU A 117 7.900 -7.583 -16.088 1.00 54.23 O ATOM 0 HA GLU A 117 8.038 -6.185 -10.956 1.00 50.31 H new ATOM 0 HB2 GLU A 117 7.608 -7.448 -12.956 1.00 1.44 H new ATOM 0 HB3 GLU A 117 7.222 -5.779 -13.327 1.00 1.44 H new ATOM 0 HG2 GLU A 117 8.898 -5.581 -14.852 1.00 32.10 H new ATOM 0 HG3 GLU A 117 10.022 -6.538 -13.909 1.00 32.10 H new ATOM 362 N GLU A 118 9.898 -8.129 -11.883 1.00 44.33 N ATOM 363 CA GLU A 118 11.014 -9.057 -11.741 1.00 74.02 C ATOM 364 C GLU A 118 12.235 -8.619 -12.542 1.00 60.24 C ATOM 365 O GLU A 118 13.338 -8.538 -11.998 1.00 11.14 O ATOM 366 CB GLU A 118 10.581 -10.465 -12.173 1.00 43.30 C ATOM 367 CG GLU A 118 11.725 -11.346 -12.655 1.00 32.45 C ATOM 368 CD GLU A 118 11.249 -12.633 -13.290 1.00 75.05 C ATOM 369 OE1 GLU A 118 10.300 -12.577 -14.104 1.00 1.11 O ATOM 370 OE2 GLU A 118 11.833 -13.698 -12.998 1.00 72.21 O ATOM 0 H GLU A 118 9.047 -8.561 -12.242 1.00 44.33 H new ATOM 0 HA GLU A 118 11.301 -9.064 -10.689 1.00 74.02 H new ATOM 0 HB2 GLU A 118 10.088 -10.955 -11.334 1.00 43.30 H new ATOM 0 HB3 GLU A 118 9.843 -10.378 -12.970 1.00 43.30 H new ATOM 0 HG2 GLU A 118 12.325 -10.791 -13.376 1.00 32.45 H new ATOM 0 HG3 GLU A 118 12.376 -11.581 -11.813 1.00 32.45 H new ATOM 377 N HIS A 119 12.042 -8.338 -13.832 1.00 72.31 N ATOM 378 CA HIS A 119 13.168 -8.039 -14.711 1.00 35.24 C ATOM 379 C HIS A 119 13.891 -6.777 -14.248 1.00 50.21 C ATOM 380 O HIS A 119 15.111 -6.682 -14.354 1.00 14.11 O ATOM 381 CB HIS A 119 12.715 -7.934 -16.184 1.00 70.20 C ATOM 382 CG HIS A 119 12.419 -6.547 -16.684 1.00 60.14 C ATOM 383 ND1 HIS A 119 13.377 -5.806 -17.332 1.00 43.34 N ATOM 384 CD2 HIS A 119 11.268 -5.836 -16.640 1.00 4.30 C ATOM 385 CE1 HIS A 119 12.794 -4.671 -17.667 1.00 10.44 C ATOM 386 NE2 HIS A 119 11.513 -4.642 -17.272 1.00 33.11 N ATOM 0 H HIS A 119 11.128 -8.312 -14.284 1.00 72.31 H new ATOM 0 HA HIS A 119 13.876 -8.866 -14.654 1.00 35.24 H new ATOM 0 HB2 HIS A 119 13.491 -8.368 -16.814 1.00 70.20 H new ATOM 0 HB3 HIS A 119 11.821 -8.544 -16.313 1.00 70.20 H new ATOM 0 HD1 HIS A 119 14.343 -6.078 -17.517 1.00 43.34 H new ATOM 0 HD2 HIS A 119 10.336 -6.148 -16.193 1.00 4.30 H new ATOM 0 HE1 HIS A 119 13.286 -3.867 -18.193 1.00 10.44 H new ATOM 394 N HIS A 120 13.132 -5.829 -13.705 1.00 0.41 N ATOM 395 CA HIS A 120 13.703 -4.601 -13.169 1.00 32.31 C ATOM 396 C HIS A 120 14.667 -4.918 -12.032 1.00 61.03 C ATOM 397 O HIS A 120 15.842 -4.540 -12.071 1.00 62.24 O ATOM 398 CB HIS A 120 12.598 -3.670 -12.663 1.00 63.40 C ATOM 399 CG HIS A 120 11.773 -3.070 -13.752 1.00 52.03 C ATOM 400 ND1 HIS A 120 10.545 -3.582 -14.077 1.00 1.20 N ATOM 401 CD2 HIS A 120 12.033 -2.004 -14.545 1.00 24.23 C ATOM 402 CE1 HIS A 120 10.084 -2.825 -15.056 1.00 63.55 C ATOM 403 NE2 HIS A 120 10.951 -1.856 -15.375 1.00 63.00 N ATOM 0 H HIS A 120 12.117 -5.890 -13.625 1.00 0.41 H new ATOM 0 HA HIS A 120 14.247 -4.100 -13.970 1.00 32.31 H new ATOM 0 HB2 HIS A 120 11.946 -4.227 -11.990 1.00 63.40 H new ATOM 0 HB3 HIS A 120 13.050 -2.869 -12.078 1.00 63.40 H new ATOM 0 HD1 HIS A 120 10.081 -4.384 -13.650 1.00 1.20 H new ATOM 0 HD2 HIS A 120 12.921 -1.389 -14.527 1.00 24.23 H new ATOM 0 HE1 HIS A 120 9.129 -2.969 -15.538 1.00 63.55 H new ATOM 411 N LEU A 121 14.155 -5.625 -11.030 1.00 1.01 N ATOM 412 CA LEU A 121 14.944 -6.008 -9.866 1.00 1.21 C ATOM 413 C LEU A 121 16.149 -6.852 -10.270 1.00 42.12 C ATOM 414 O LEU A 121 17.289 -6.516 -9.949 1.00 70.23 O ATOM 415 CB LEU A 121 14.075 -6.791 -8.881 1.00 72.54 C ATOM 416 CG LEU A 121 12.777 -6.099 -8.461 1.00 45.40 C ATOM 417 CD1 LEU A 121 12.011 -6.954 -7.470 1.00 70.21 C ATOM 418 CD2 LEU A 121 13.063 -4.728 -7.873 1.00 62.51 C ATOM 0 H LEU A 121 13.187 -5.947 -11.002 1.00 1.01 H new ATOM 0 HA LEU A 121 15.307 -5.097 -9.390 1.00 1.21 H new ATOM 0 HB2 LEU A 121 13.826 -7.754 -9.327 1.00 72.54 H new ATOM 0 HB3 LEU A 121 14.663 -6.997 -7.987 1.00 72.54 H new ATOM 0 HG LEU A 121 12.160 -5.967 -9.350 1.00 45.40 H new ATOM 0 HD11 LEU A 121 11.091 -6.444 -7.184 1.00 70.21 H new ATOM 0 HD12 LEU A 121 11.767 -7.912 -7.929 1.00 70.21 H new ATOM 0 HD13 LEU A 121 12.624 -7.121 -6.584 1.00 70.21 H new ATOM 0 HD21 LEU A 121 12.126 -4.254 -7.581 1.00 62.51 H new ATOM 0 HD22 LEU A 121 13.704 -4.834 -6.998 1.00 62.51 H new ATOM 0 HD23 LEU A 121 13.565 -4.110 -8.618 1.00 62.51 H new ATOM 430 N ARG A 122 15.887 -7.939 -10.990 1.00 2.42 N ATOM 431 CA ARG A 122 16.934 -8.870 -11.395 1.00 22.24 C ATOM 432 C ARG A 122 18.047 -8.159 -12.156 1.00 22.14 C ATOM 433 O ARG A 122 19.216 -8.352 -11.853 1.00 71.43 O ATOM 434 CB ARG A 122 16.345 -9.995 -12.251 1.00 44.20 C ATOM 435 CG ARG A 122 17.392 -10.930 -12.842 1.00 23.34 C ATOM 436 CD ARG A 122 17.285 -12.336 -12.270 1.00 1.34 C ATOM 437 NE ARG A 122 15.995 -12.958 -12.566 1.00 3.41 N ATOM 438 CZ ARG A 122 15.683 -14.217 -12.251 1.00 21.54 C ATOM 439 NH1 ARG A 122 16.578 -14.999 -11.650 1.00 12.21 N ATOM 440 NH2 ARG A 122 14.476 -14.697 -12.539 1.00 55.23 N ATOM 0 H ARG A 122 14.952 -8.197 -11.306 1.00 2.42 H new ATOM 0 HA ARG A 122 17.365 -9.299 -10.491 1.00 22.24 H new ATOM 0 HB2 ARG A 122 15.653 -10.578 -11.643 1.00 44.20 H new ATOM 0 HB3 ARG A 122 15.764 -9.556 -13.062 1.00 44.20 H new ATOM 0 HG2 ARG A 122 17.274 -10.969 -13.925 1.00 23.34 H new ATOM 0 HG3 ARG A 122 18.387 -10.532 -12.644 1.00 23.34 H new ATOM 0 HD2 ARG A 122 18.086 -12.954 -12.677 1.00 1.34 H new ATOM 0 HD3 ARG A 122 17.429 -12.299 -11.190 1.00 1.34 H new ATOM 0 HE ARG A 122 15.290 -12.395 -13.042 1.00 3.41 H new ATOM 0 HH11 ARG A 122 17.505 -14.636 -11.429 1.00 12.21 H new ATOM 0 HH12 ARG A 122 16.336 -15.961 -11.411 1.00 12.21 H new ATOM 0 HH21 ARG A 122 13.788 -14.103 -13.001 1.00 55.23 H new ATOM 0 HH22 ARG A 122 14.239 -15.659 -12.298 1.00 55.23 H new ATOM 454 N ASP A 123 17.671 -7.317 -13.113 1.00 73.04 N ATOM 455 CA ASP A 123 18.641 -6.600 -13.946 1.00 21.11 C ATOM 456 C ASP A 123 19.622 -5.798 -13.095 1.00 72.34 C ATOM 457 O ASP A 123 20.803 -5.687 -13.424 1.00 13.00 O ATOM 458 CB ASP A 123 17.912 -5.672 -14.920 1.00 5.40 C ATOM 459 CG ASP A 123 18.847 -4.734 -15.657 1.00 42.10 C ATOM 460 OD1 ASP A 123 19.470 -5.161 -16.653 1.00 2.43 O ATOM 461 OD2 ASP A 123 18.952 -3.557 -15.248 1.00 50.42 O ATOM 0 H ASP A 123 16.697 -7.111 -13.335 1.00 73.04 H new ATOM 0 HA ASP A 123 19.211 -7.339 -14.509 1.00 21.11 H new ATOM 0 HB2 ASP A 123 17.364 -6.274 -15.645 1.00 5.40 H new ATOM 0 HB3 ASP A 123 17.175 -5.085 -14.371 1.00 5.40 H new ATOM 466 N TYR A 124 19.137 -5.259 -11.992 1.00 63.22 N ATOM 467 CA TYR A 124 19.973 -4.448 -11.125 1.00 21.52 C ATOM 468 C TYR A 124 20.769 -5.318 -10.154 1.00 52.33 C ATOM 469 O TYR A 124 21.968 -5.119 -9.968 1.00 1.33 O ATOM 470 CB TYR A 124 19.119 -3.438 -10.356 1.00 32.23 C ATOM 471 CG TYR A 124 19.917 -2.545 -9.431 1.00 1.25 C ATOM 472 CD1 TYR A 124 19.801 -2.664 -8.054 1.00 62.12 C ATOM 473 CD2 TYR A 124 20.788 -1.588 -9.934 1.00 22.52 C ATOM 474 CE1 TYR A 124 20.525 -1.854 -7.203 1.00 12.51 C ATOM 475 CE2 TYR A 124 21.518 -0.773 -9.089 1.00 72.02 C ATOM 476 CZ TYR A 124 21.382 -0.911 -7.725 1.00 60.33 C ATOM 477 OH TYR A 124 22.103 -0.100 -6.877 1.00 2.45 O ATOM 0 H TYR A 124 18.173 -5.367 -11.676 1.00 63.22 H new ATOM 0 HA TYR A 124 20.682 -3.907 -11.751 1.00 21.52 H new ATOM 0 HB2 TYR A 124 18.578 -2.816 -11.069 1.00 32.23 H new ATOM 0 HB3 TYR A 124 18.373 -3.977 -9.772 1.00 32.23 H new ATOM 0 HD1 TYR A 124 19.132 -3.404 -7.640 1.00 62.12 H new ATOM 0 HD2 TYR A 124 20.897 -1.478 -11.003 1.00 22.52 H new ATOM 0 HE1 TYR A 124 20.420 -1.959 -6.133 1.00 12.51 H new ATOM 0 HE2 TYR A 124 22.191 -0.033 -9.496 1.00 72.02 H new ATOM 0 HH TYR A 124 22.806 -0.625 -6.441 1.00 2.45 H new ATOM 487 N PHE A 125 20.115 -6.300 -9.559 1.00 71.13 N ATOM 488 CA PHE A 125 20.738 -7.086 -8.503 1.00 13.22 C ATOM 489 C PHE A 125 21.648 -8.187 -9.055 1.00 43.13 C ATOM 490 O PHE A 125 22.491 -8.719 -8.330 1.00 13.42 O ATOM 491 CB PHE A 125 19.670 -7.674 -7.580 1.00 44.51 C ATOM 492 CG PHE A 125 18.892 -6.622 -6.839 1.00 14.04 C ATOM 493 CD1 PHE A 125 17.516 -6.538 -6.962 1.00 1.22 C ATOM 494 CD2 PHE A 125 19.544 -5.706 -6.030 1.00 25.21 C ATOM 495 CE1 PHE A 125 16.804 -5.560 -6.294 1.00 63.34 C ATOM 496 CE2 PHE A 125 18.838 -4.728 -5.356 1.00 62.21 C ATOM 497 CZ PHE A 125 17.467 -4.654 -5.490 1.00 55.31 C ATOM 0 H PHE A 125 19.159 -6.573 -9.785 1.00 71.13 H new ATOM 0 HA PHE A 125 21.373 -6.413 -7.927 1.00 13.22 H new ATOM 0 HB2 PHE A 125 18.982 -8.280 -8.169 1.00 44.51 H new ATOM 0 HB3 PHE A 125 20.146 -8.341 -6.861 1.00 44.51 H new ATOM 0 HD1 PHE A 125 16.992 -7.245 -7.588 1.00 1.22 H new ATOM 0 HD2 PHE A 125 20.618 -5.757 -5.925 1.00 25.21 H new ATOM 0 HE1 PHE A 125 15.731 -5.504 -6.401 1.00 63.34 H new ATOM 0 HE2 PHE A 125 19.359 -4.023 -4.725 1.00 62.21 H new ATOM 0 HZ PHE A 125 16.913 -3.889 -4.967 1.00 55.31 H new ATOM 507 N GLU A 126 21.497 -8.517 -10.337 1.00 2.12 N ATOM 508 CA GLU A 126 22.339 -9.545 -10.957 1.00 52.24 C ATOM 509 C GLU A 126 23.800 -9.103 -10.997 1.00 44.55 C ATOM 510 O GLU A 126 24.711 -9.929 -11.040 1.00 5.54 O ATOM 511 CB GLU A 126 21.834 -9.892 -12.368 1.00 64.12 C ATOM 512 CG GLU A 126 21.834 -8.730 -13.354 1.00 21.05 C ATOM 513 CD GLU A 126 23.017 -8.764 -14.301 1.00 14.42 C ATOM 514 OE1 GLU A 126 24.117 -8.338 -13.904 1.00 34.32 O ATOM 515 OE2 GLU A 126 22.851 -9.224 -15.450 1.00 1.13 O ATOM 0 H GLU A 126 20.810 -8.095 -10.962 1.00 2.12 H new ATOM 0 HA GLU A 126 22.275 -10.445 -10.345 1.00 52.24 H new ATOM 0 HB2 GLU A 126 22.453 -10.693 -12.773 1.00 64.12 H new ATOM 0 HB3 GLU A 126 20.819 -10.282 -12.289 1.00 64.12 H new ATOM 0 HG2 GLU A 126 20.910 -8.750 -13.933 1.00 21.05 H new ATOM 0 HG3 GLU A 126 21.843 -7.790 -12.801 1.00 21.05 H new ATOM 522 N GLN A 127 24.009 -7.792 -10.965 1.00 23.24 N ATOM 523 CA GLN A 127 25.353 -7.223 -10.962 1.00 64.41 C ATOM 524 C GLN A 127 26.068 -7.570 -9.666 1.00 3.42 C ATOM 525 O GLN A 127 27.295 -7.669 -9.623 1.00 54.34 O ATOM 526 CB GLN A 127 25.286 -5.702 -11.101 1.00 73.04 C ATOM 527 CG GLN A 127 24.454 -5.222 -12.274 1.00 51.00 C ATOM 528 CD GLN A 127 24.226 -3.728 -12.228 1.00 14.23 C ATOM 529 OE1 GLN A 127 24.985 -2.946 -12.801 1.00 23.32 O ATOM 530 NE2 GLN A 127 23.197 -3.319 -11.511 1.00 51.40 N ATOM 0 H GLN A 127 23.261 -7.099 -10.941 1.00 23.24 H new ATOM 0 HA GLN A 127 25.902 -7.641 -11.806 1.00 64.41 H new ATOM 0 HB2 GLN A 127 24.876 -5.282 -10.183 1.00 73.04 H new ATOM 0 HB3 GLN A 127 26.299 -5.313 -11.205 1.00 73.04 H new ATOM 0 HG2 GLN A 127 24.955 -5.485 -13.206 1.00 51.00 H new ATOM 0 HG3 GLN A 127 23.493 -5.736 -12.272 1.00 51.00 H new ATOM 0 HE21 GLN A 127 22.592 -4.000 -11.052 1.00 51.40 H new ATOM 0 HE22 GLN A 127 23.006 -2.322 -11.416 1.00 51.40 H new ATOM 539 N TYR A 128 25.288 -7.753 -8.613 1.00 14.33 N ATOM 540 CA TYR A 128 25.829 -8.036 -7.295 1.00 51.14 C ATOM 541 C TYR A 128 26.194 -9.508 -7.161 1.00 72.42 C ATOM 542 O TYR A 128 27.170 -9.853 -6.493 1.00 72.14 O ATOM 543 CB TYR A 128 24.826 -7.637 -6.213 1.00 44.44 C ATOM 544 CG TYR A 128 24.595 -6.144 -6.118 1.00 65.14 C ATOM 545 CD1 TYR A 128 25.215 -5.395 -5.130 1.00 12.33 C ATOM 546 CD2 TYR A 128 23.752 -5.488 -7.009 1.00 63.41 C ATOM 547 CE1 TYR A 128 25.005 -4.031 -5.028 1.00 21.52 C ATOM 548 CE2 TYR A 128 23.539 -4.125 -6.919 1.00 5.10 C ATOM 549 CZ TYR A 128 24.168 -3.400 -5.926 1.00 43.14 C ATOM 550 OH TYR A 128 23.957 -2.041 -5.832 1.00 14.12 O ATOM 0 H TYR A 128 24.269 -7.710 -8.647 1.00 14.33 H new ATOM 0 HA TYR A 128 26.738 -7.448 -7.167 1.00 51.14 H new ATOM 0 HB2 TYR A 128 23.875 -8.131 -6.412 1.00 44.44 H new ATOM 0 HB3 TYR A 128 25.180 -8.003 -5.249 1.00 44.44 H new ATOM 0 HD1 TYR A 128 25.873 -5.884 -4.428 1.00 12.33 H new ATOM 0 HD2 TYR A 128 23.256 -6.053 -7.784 1.00 63.41 H new ATOM 0 HE1 TYR A 128 25.493 -3.463 -4.250 1.00 21.52 H new ATOM 0 HE2 TYR A 128 22.885 -3.630 -7.621 1.00 5.10 H new ATOM 0 HH TYR A 128 24.755 -1.611 -5.458 1.00 14.12 H new ATOM 560 N GLY A 129 25.418 -10.377 -7.798 1.00 1.51 N ATOM 561 CA GLY A 129 25.720 -11.792 -7.743 1.00 13.51 C ATOM 562 C GLY A 129 24.635 -12.655 -8.349 1.00 42.25 C ATOM 563 O GLY A 129 23.761 -12.163 -9.063 1.00 75.43 O ATOM 0 H GLY A 129 24.594 -10.130 -8.346 1.00 1.51 H new ATOM 0 HA2 GLY A 129 26.658 -11.978 -8.266 1.00 13.51 H new ATOM 0 HA3 GLY A 129 25.871 -12.085 -6.704 1.00 13.51 H new ATOM 567 N LYS A 130 24.692 -13.946 -8.045 1.00 30.20 N ATOM 568 CA LYS A 130 23.777 -14.921 -8.604 1.00 72.03 C ATOM 569 C LYS A 130 22.401 -14.846 -7.958 1.00 53.30 C ATOM 570 O LYS A 130 22.241 -15.062 -6.751 1.00 13.12 O ATOM 571 CB LYS A 130 24.369 -16.320 -8.433 1.00 64.03 C ATOM 572 CG LYS A 130 23.393 -17.440 -8.721 1.00 44.03 C ATOM 573 CD LYS A 130 24.059 -18.793 -8.581 1.00 43.11 C ATOM 574 CE LYS A 130 23.072 -19.908 -8.838 1.00 3.25 C ATOM 575 NZ LYS A 130 23.649 -21.244 -8.540 1.00 43.31 N ATOM 0 H LYS A 130 25.377 -14.342 -7.402 1.00 30.20 H new ATOM 0 HA LYS A 130 23.645 -14.699 -9.663 1.00 72.03 H new ATOM 0 HB2 LYS A 130 25.230 -16.423 -9.094 1.00 64.03 H new ATOM 0 HB3 LYS A 130 24.737 -16.426 -7.412 1.00 64.03 H new ATOM 0 HG2 LYS A 130 22.547 -17.375 -8.036 1.00 44.03 H new ATOM 0 HG3 LYS A 130 22.995 -17.330 -9.730 1.00 44.03 H new ATOM 0 HD2 LYS A 130 24.890 -18.868 -9.282 1.00 43.11 H new ATOM 0 HD3 LYS A 130 24.477 -18.895 -7.580 1.00 43.11 H new ATOM 0 HE2 LYS A 130 22.183 -19.753 -8.227 1.00 3.25 H new ATOM 0 HE3 LYS A 130 22.752 -19.876 -9.880 1.00 3.25 H new ATOM 0 HZ1 LYS A 130 23.023 -21.984 -8.917 1.00 43.31 H new ATOM 0 HZ2 LYS A 130 24.586 -21.324 -8.984 1.00 43.31 H new ATOM 0 HZ3 LYS A 130 23.742 -21.360 -7.511 1.00 43.31 H new ATOM 589 N ILE A 131 21.410 -14.549 -8.779 1.00 2.25 N ATOM 590 CA ILE A 131 20.034 -14.496 -8.336 1.00 40.13 C ATOM 591 C ILE A 131 19.339 -15.823 -8.607 1.00 24.04 C ATOM 592 O ILE A 131 19.549 -16.443 -9.650 1.00 34.44 O ATOM 593 CB ILE A 131 19.261 -13.375 -9.054 1.00 15.31 C ATOM 594 CG1 ILE A 131 20.015 -12.053 -8.939 1.00 14.20 C ATOM 595 CG2 ILE A 131 17.859 -13.241 -8.479 1.00 3.40 C ATOM 596 CD1 ILE A 131 19.311 -10.898 -9.610 1.00 2.44 C ATOM 0 H ILE A 131 21.539 -14.339 -9.769 1.00 2.25 H new ATOM 0 HA ILE A 131 20.042 -14.293 -7.265 1.00 40.13 H new ATOM 0 HB ILE A 131 19.175 -13.634 -10.109 1.00 15.31 H new ATOM 0 HG12 ILE A 131 20.160 -11.817 -7.885 1.00 14.20 H new ATOM 0 HG13 ILE A 131 21.006 -12.169 -9.379 1.00 14.20 H new ATOM 0 HG21 ILE A 131 17.327 -12.444 -8.999 1.00 3.40 H new ATOM 0 HG22 ILE A 131 17.321 -14.180 -8.609 1.00 3.40 H new ATOM 0 HG23 ILE A 131 17.922 -13.003 -7.417 1.00 3.40 H new ATOM 0 HD11 ILE A 131 19.903 -9.991 -9.489 1.00 2.44 H new ATOM 0 HD12 ILE A 131 19.190 -11.113 -10.672 1.00 2.44 H new ATOM 0 HD13 ILE A 131 18.331 -10.755 -9.155 1.00 2.44 H new ATOM 608 N GLU A 132 18.519 -16.252 -7.667 1.00 41.12 N ATOM 609 CA GLU A 132 17.728 -17.454 -7.828 1.00 51.50 C ATOM 610 C GLU A 132 16.439 -17.134 -8.578 1.00 1.04 C ATOM 611 O GLU A 132 16.323 -17.400 -9.776 1.00 50.54 O ATOM 612 CB GLU A 132 17.429 -18.067 -6.459 1.00 42.33 C ATOM 613 CG GLU A 132 18.585 -18.876 -5.913 1.00 71.14 C ATOM 614 CD GLU A 132 18.717 -20.212 -6.604 1.00 51.12 C ATOM 615 OE1 GLU A 132 18.136 -21.199 -6.112 1.00 74.33 O ATOM 616 OE2 GLU A 132 19.388 -20.279 -7.652 1.00 71.34 O ATOM 0 H GLU A 132 18.383 -15.778 -6.774 1.00 41.12 H new ATOM 0 HA GLU A 132 18.290 -18.181 -8.413 1.00 51.50 H new ATOM 0 HB2 GLU A 132 17.184 -17.271 -5.755 1.00 42.33 H new ATOM 0 HB3 GLU A 132 16.549 -18.706 -6.536 1.00 42.33 H new ATOM 0 HG2 GLU A 132 19.510 -18.313 -6.033 1.00 71.14 H new ATOM 0 HG3 GLU A 132 18.444 -19.033 -4.844 1.00 71.14 H new ATOM 623 N VAL A 133 15.494 -16.526 -7.876 1.00 12.44 N ATOM 624 CA VAL A 133 14.220 -16.137 -8.465 1.00 22.42 C ATOM 625 C VAL A 133 13.796 -14.772 -7.942 1.00 12.44 C ATOM 626 O VAL A 133 14.255 -14.332 -6.886 1.00 3.20 O ATOM 627 CB VAL A 133 13.095 -17.156 -8.156 1.00 20.13 C ATOM 628 CG1 VAL A 133 13.387 -18.506 -8.793 1.00 10.14 C ATOM 629 CG2 VAL A 133 12.896 -17.307 -6.654 1.00 74.33 C ATOM 0 H VAL A 133 15.587 -16.289 -6.888 1.00 12.44 H new ATOM 0 HA VAL A 133 14.368 -16.105 -9.544 1.00 22.42 H new ATOM 0 HB VAL A 133 12.171 -16.770 -8.588 1.00 20.13 H new ATOM 0 HG11 VAL A 133 12.580 -19.201 -8.559 1.00 10.14 H new ATOM 0 HG12 VAL A 133 13.463 -18.389 -9.874 1.00 10.14 H new ATOM 0 HG13 VAL A 133 14.327 -18.897 -8.403 1.00 10.14 H new ATOM 0 HG21 VAL A 133 12.101 -18.028 -6.463 1.00 74.33 H new ATOM 0 HG22 VAL A 133 13.822 -17.658 -6.198 1.00 74.33 H new ATOM 0 HG23 VAL A 133 12.623 -16.343 -6.224 1.00 74.33 H new ATOM 639 N ILE A 134 12.931 -14.100 -8.681 1.00 75.43 N ATOM 640 CA ILE A 134 12.393 -12.827 -8.242 1.00 21.32 C ATOM 641 C ILE A 134 10.945 -13.014 -7.832 1.00 13.11 C ATOM 642 O ILE A 134 10.084 -13.305 -8.665 1.00 75.52 O ATOM 643 CB ILE A 134 12.474 -11.739 -9.330 1.00 21.20 C ATOM 644 CG1 ILE A 134 13.862 -11.709 -9.976 1.00 12.25 C ATOM 645 CG2 ILE A 134 12.148 -10.382 -8.725 1.00 42.33 C ATOM 646 CD1 ILE A 134 14.975 -11.385 -9.014 1.00 13.35 C ATOM 0 H ILE A 134 12.587 -14.416 -9.588 1.00 75.43 H new ATOM 0 HA ILE A 134 12.998 -12.491 -7.400 1.00 21.32 H new ATOM 0 HB ILE A 134 11.746 -11.973 -10.107 1.00 21.20 H new ATOM 0 HG12 ILE A 134 14.060 -12.678 -10.433 1.00 12.25 H new ATOM 0 HG13 ILE A 134 13.863 -10.972 -10.779 1.00 12.25 H new ATOM 0 HG21 ILE A 134 12.206 -9.616 -9.498 1.00 42.33 H new ATOM 0 HG22 ILE A 134 11.141 -10.402 -8.309 1.00 42.33 H new ATOM 0 HG23 ILE A 134 12.863 -10.155 -7.934 1.00 42.33 H new ATOM 0 HD11 ILE A 134 15.926 -11.383 -9.546 1.00 13.35 H new ATOM 0 HD12 ILE A 134 14.802 -10.402 -8.575 1.00 13.35 H new ATOM 0 HD13 ILE A 134 15.003 -12.135 -8.224 1.00 13.35 H new ATOM 658 N GLU A 135 10.680 -12.865 -6.551 1.00 72.34 N ATOM 659 CA GLU A 135 9.356 -13.101 -6.020 1.00 52.23 C ATOM 660 C GLU A 135 8.595 -11.795 -5.877 1.00 25.43 C ATOM 661 O GLU A 135 8.703 -11.098 -4.868 1.00 63.00 O ATOM 662 CB GLU A 135 9.448 -13.828 -4.679 1.00 55.32 C ATOM 663 CG GLU A 135 10.049 -15.219 -4.800 1.00 0.43 C ATOM 664 CD GLU A 135 10.233 -15.903 -3.464 1.00 41.34 C ATOM 665 OE1 GLU A 135 9.364 -15.751 -2.581 1.00 34.33 O ATOM 666 OE2 GLU A 135 11.246 -16.610 -3.292 1.00 52.13 O ATOM 0 H GLU A 135 11.369 -12.580 -5.855 1.00 72.34 H new ATOM 0 HA GLU A 135 8.808 -13.734 -6.718 1.00 52.23 H new ATOM 0 HB2 GLU A 135 10.051 -13.236 -3.991 1.00 55.32 H new ATOM 0 HB3 GLU A 135 8.452 -13.905 -4.244 1.00 55.32 H new ATOM 0 HG2 GLU A 135 9.406 -15.833 -5.430 1.00 0.43 H new ATOM 0 HG3 GLU A 135 11.014 -15.149 -5.302 1.00 0.43 H new ATOM 673 N ILE A 136 7.854 -11.450 -6.916 1.00 71.32 N ATOM 674 CA ILE A 136 7.019 -10.266 -6.896 1.00 53.35 C ATOM 675 C ILE A 136 5.815 -10.545 -6.010 1.00 71.25 C ATOM 676 O ILE A 136 5.157 -11.574 -6.172 1.00 2.31 O ATOM 677 CB ILE A 136 6.536 -9.888 -8.317 1.00 22.52 C ATOM 678 CG1 ILE A 136 7.677 -10.024 -9.328 1.00 44.44 C ATOM 679 CG2 ILE A 136 5.993 -8.464 -8.336 1.00 61.02 C ATOM 680 CD1 ILE A 136 7.234 -9.835 -10.765 1.00 42.01 C ATOM 0 H ILE A 136 7.815 -11.978 -7.788 1.00 71.32 H new ATOM 0 HA ILE A 136 7.602 -9.430 -6.510 1.00 53.35 H new ATOM 0 HB ILE A 136 5.736 -10.574 -8.597 1.00 22.52 H new ATOM 0 HG12 ILE A 136 8.449 -9.291 -9.094 1.00 44.44 H new ATOM 0 HG13 ILE A 136 8.131 -11.009 -9.222 1.00 44.44 H new ATOM 0 HG21 ILE A 136 5.658 -8.216 -9.343 1.00 61.02 H new ATOM 0 HG22 ILE A 136 5.154 -8.385 -7.645 1.00 61.02 H new ATOM 0 HG23 ILE A 136 6.778 -7.771 -8.034 1.00 61.02 H new ATOM 0 HD11 ILE A 136 8.092 -9.945 -11.428 1.00 42.01 H new ATOM 0 HD12 ILE A 136 6.484 -10.585 -11.016 1.00 42.01 H new ATOM 0 HD13 ILE A 136 6.807 -8.840 -10.886 1.00 42.01 H new ATOM 692 N MET A 137 5.546 -9.665 -5.057 1.00 60.01 N ATOM 693 CA MET A 137 4.424 -9.869 -4.156 1.00 30.01 C ATOM 694 C MET A 137 3.126 -9.653 -4.915 1.00 1.03 C ATOM 695 O MET A 137 2.694 -8.519 -5.127 1.00 11.45 O ATOM 696 CB MET A 137 4.499 -8.923 -2.957 1.00 15.01 C ATOM 697 CG MET A 137 4.152 -9.571 -1.621 1.00 54.24 C ATOM 698 SD MET A 137 2.519 -10.335 -1.576 1.00 55.35 S ATOM 699 CE MET A 137 2.951 -12.054 -1.853 1.00 53.44 C ATOM 0 H MET A 137 6.082 -8.814 -4.889 1.00 60.01 H new ATOM 0 HA MET A 137 4.462 -10.890 -3.776 1.00 30.01 H new ATOM 0 HB2 MET A 137 5.507 -8.512 -2.897 1.00 15.01 H new ATOM 0 HB3 MET A 137 3.822 -8.086 -3.127 1.00 15.01 H new ATOM 0 HG2 MET A 137 4.902 -10.328 -1.391 1.00 54.24 H new ATOM 0 HG3 MET A 137 4.210 -8.816 -0.837 1.00 54.24 H new ATOM 0 HE1 MET A 137 2.314 -12.692 -1.241 1.00 53.44 H new ATOM 0 HE2 MET A 137 2.808 -12.300 -2.905 1.00 53.44 H new ATOM 0 HE3 MET A 137 3.994 -12.215 -1.581 1.00 53.44 H new ATOM 859 N PHE A 148 5.416 -4.060 -3.399 1.00 41.20 N ATOM 860 CA PHE A 148 6.771 -4.457 -3.034 1.00 33.43 C ATOM 861 C PHE A 148 7.095 -5.840 -3.583 1.00 42.12 C ATOM 862 O PHE A 148 6.200 -6.583 -3.996 1.00 13.51 O ATOM 863 CB PHE A 148 6.955 -4.428 -1.509 1.00 23.54 C ATOM 864 CG PHE A 148 5.999 -5.311 -0.749 1.00 34.33 C ATOM 865 CD1 PHE A 148 6.372 -6.586 -0.356 1.00 22.13 C ATOM 866 CD2 PHE A 148 4.731 -4.863 -0.421 1.00 33.34 C ATOM 867 CE1 PHE A 148 5.498 -7.392 0.345 1.00 54.53 C ATOM 868 CE2 PHE A 148 3.852 -5.665 0.278 1.00 41.54 C ATOM 869 CZ PHE A 148 4.237 -6.932 0.662 1.00 0.13 C ATOM 0 HA PHE A 148 7.463 -3.741 -3.477 1.00 33.43 H new ATOM 0 HB2 PHE A 148 7.975 -4.730 -1.273 1.00 23.54 H new ATOM 0 HB3 PHE A 148 6.838 -3.402 -1.161 1.00 23.54 H new ATOM 0 HD1 PHE A 148 7.358 -6.953 -0.601 1.00 22.13 H new ATOM 0 HD2 PHE A 148 4.425 -3.870 -0.717 1.00 33.34 H new ATOM 0 HE1 PHE A 148 5.802 -8.384 0.646 1.00 54.53 H new ATOM 0 HE2 PHE A 148 2.865 -5.301 0.524 1.00 41.54 H new ATOM 0 HZ PHE A 148 3.553 -7.563 1.210 1.00 0.13 H new ATOM 879 N ALA A 149 8.370 -6.187 -3.587 1.00 54.44 N ATOM 880 CA ALA A 149 8.802 -7.456 -4.137 1.00 4.33 C ATOM 881 C ALA A 149 10.037 -7.971 -3.414 1.00 32.30 C ATOM 882 O ALA A 149 10.699 -7.228 -2.687 1.00 11.15 O ATOM 883 CB ALA A 149 9.077 -7.309 -5.623 1.00 74.32 C ATOM 0 H ALA A 149 9.122 -5.607 -3.215 1.00 54.44 H new ATOM 0 HA ALA A 149 8.004 -8.184 -3.995 1.00 4.33 H new ATOM 0 HB1 ALA A 149 9.401 -8.267 -6.030 1.00 74.32 H new ATOM 0 HB2 ALA A 149 8.168 -6.988 -6.131 1.00 74.32 H new ATOM 0 HB3 ALA A 149 9.860 -6.566 -5.776 1.00 74.32 H new ATOM 889 N PHE A 150 10.342 -9.244 -3.619 1.00 52.12 N ATOM 890 CA PHE A 150 11.476 -9.874 -2.968 1.00 54.22 C ATOM 891 C PHE A 150 12.403 -10.475 -4.010 1.00 52.33 C ATOM 892 O PHE A 150 11.952 -10.995 -5.029 1.00 62.25 O ATOM 893 CB PHE A 150 11.007 -10.970 -2.008 1.00 4.04 C ATOM 894 CG PHE A 150 9.972 -10.512 -1.022 1.00 71.41 C ATOM 895 CD1 PHE A 150 8.621 -10.643 -1.308 1.00 5.25 C ATOM 896 CD2 PHE A 150 10.348 -9.952 0.185 1.00 34.24 C ATOM 897 CE1 PHE A 150 7.667 -10.219 -0.406 1.00 3.12 C ATOM 898 CE2 PHE A 150 9.396 -9.529 1.092 1.00 31.50 C ATOM 899 CZ PHE A 150 8.055 -9.661 0.795 1.00 1.11 C ATOM 0 H PHE A 150 9.815 -9.862 -4.236 1.00 52.12 H new ATOM 0 HA PHE A 150 12.011 -9.114 -2.399 1.00 54.22 H new ATOM 0 HB2 PHE A 150 10.601 -11.798 -2.588 1.00 4.04 H new ATOM 0 HB3 PHE A 150 11.869 -11.355 -1.463 1.00 4.04 H new ATOM 0 HD1 PHE A 150 8.313 -11.081 -2.246 1.00 5.25 H new ATOM 0 HD2 PHE A 150 11.396 -9.844 0.421 1.00 34.24 H new ATOM 0 HE1 PHE A 150 6.618 -10.324 -0.640 1.00 3.12 H new ATOM 0 HE2 PHE A 150 9.701 -9.095 2.033 1.00 31.50 H new ATOM 0 HZ PHE A 150 7.310 -9.328 1.502 1.00 1.11 H new ATOM 909 N VAL A 151 13.694 -10.399 -3.760 1.00 45.11 N ATOM 910 CA VAL A 151 14.674 -10.966 -4.671 1.00 33.21 C ATOM 911 C VAL A 151 15.455 -12.069 -3.970 1.00 23.21 C ATOM 912 O VAL A 151 16.197 -11.806 -3.023 1.00 52.42 O ATOM 913 CB VAL A 151 15.650 -9.893 -5.200 1.00 24.42 C ATOM 914 CG1 VAL A 151 16.605 -10.485 -6.223 1.00 75.54 C ATOM 915 CG2 VAL A 151 14.885 -8.726 -5.801 1.00 61.11 C ATOM 0 H VAL A 151 14.092 -9.951 -2.935 1.00 45.11 H new ATOM 0 HA VAL A 151 14.135 -11.379 -5.524 1.00 33.21 H new ATOM 0 HB VAL A 151 16.238 -9.526 -4.358 1.00 24.42 H new ATOM 0 HG11 VAL A 151 17.282 -9.709 -6.580 1.00 75.54 H new ATOM 0 HG12 VAL A 151 17.182 -11.286 -5.761 1.00 75.54 H new ATOM 0 HG13 VAL A 151 16.037 -10.885 -7.062 1.00 75.54 H new ATOM 0 HG21 VAL A 151 15.589 -7.980 -6.168 1.00 61.11 H new ATOM 0 HG22 VAL A 151 14.269 -9.081 -6.627 1.00 61.11 H new ATOM 0 HG23 VAL A 151 14.247 -8.278 -5.039 1.00 61.11 H new ATOM 925 N THR A 152 15.258 -13.299 -4.416 1.00 52.30 N ATOM 926 CA THR A 152 15.948 -14.440 -3.843 1.00 73.44 C ATOM 927 C THR A 152 17.264 -14.685 -4.569 1.00 71.11 C ATOM 928 O THR A 152 17.291 -14.829 -5.788 1.00 15.42 O ATOM 929 CB THR A 152 15.081 -15.711 -3.924 1.00 10.32 C ATOM 930 OG1 THR A 152 13.761 -15.430 -3.443 1.00 14.32 O ATOM 931 CG2 THR A 152 15.694 -16.837 -3.104 1.00 53.31 C ATOM 0 H THR A 152 14.621 -13.532 -5.178 1.00 52.30 H new ATOM 0 HA THR A 152 16.145 -14.214 -2.795 1.00 73.44 H new ATOM 0 HB THR A 152 15.031 -16.027 -4.966 1.00 10.32 H new ATOM 0 HG1 THR A 152 13.168 -16.181 -3.657 1.00 14.32 H new ATOM 0 HG21 THR A 152 15.065 -17.724 -3.176 1.00 53.31 H new ATOM 0 HG22 THR A 152 16.689 -17.066 -3.486 1.00 53.31 H new ATOM 0 HG23 THR A 152 15.768 -16.529 -2.061 1.00 53.31 H new ATOM 939 N PHE A 153 18.347 -14.722 -3.819 1.00 34.34 N ATOM 940 CA PHE A 153 19.665 -14.982 -4.370 1.00 44.30 C ATOM 941 C PHE A 153 20.125 -16.367 -3.948 1.00 61.50 C ATOM 942 O PHE A 153 19.709 -16.870 -2.903 1.00 0.41 O ATOM 943 CB PHE A 153 20.666 -13.935 -3.873 1.00 12.33 C ATOM 944 CG PHE A 153 20.321 -12.524 -4.250 1.00 51.12 C ATOM 945 CD1 PHE A 153 20.824 -11.962 -5.411 1.00 31.35 C ATOM 946 CD2 PHE A 153 19.499 -11.758 -3.440 1.00 13.14 C ATOM 947 CE1 PHE A 153 20.512 -10.663 -5.756 1.00 53.52 C ATOM 948 CE2 PHE A 153 19.186 -10.460 -3.780 1.00 25.05 C ATOM 949 CZ PHE A 153 19.692 -9.912 -4.940 1.00 14.22 C ATOM 0 H PHE A 153 18.340 -14.573 -2.810 1.00 34.34 H new ATOM 0 HA PHE A 153 19.611 -14.928 -5.457 1.00 44.30 H new ATOM 0 HB2 PHE A 153 20.735 -14.002 -2.787 1.00 12.33 H new ATOM 0 HB3 PHE A 153 21.652 -14.174 -4.271 1.00 12.33 H new ATOM 0 HD1 PHE A 153 21.467 -12.546 -6.053 1.00 31.35 H new ATOM 0 HD2 PHE A 153 19.099 -12.183 -2.531 1.00 13.14 H new ATOM 0 HE1 PHE A 153 20.910 -10.235 -6.664 1.00 53.52 H new ATOM 0 HE2 PHE A 153 18.545 -9.873 -3.139 1.00 25.05 H new ATOM 0 HZ PHE A 153 19.446 -8.895 -5.209 1.00 14.22 H new ATOM 959 N ASP A 154 20.971 -16.995 -4.753 1.00 3.22 N ATOM 960 CA ASP A 154 21.526 -18.289 -4.377 1.00 52.12 C ATOM 961 C ASP A 154 22.692 -18.072 -3.427 1.00 31.24 C ATOM 962 O ASP A 154 23.098 -18.960 -2.674 1.00 54.12 O ATOM 963 CB ASP A 154 21.992 -19.068 -5.607 1.00 3.34 C ATOM 964 CG ASP A 154 22.486 -20.459 -5.260 1.00 51.10 C ATOM 965 OD1 ASP A 154 23.581 -20.843 -5.724 1.00 15.14 O ATOM 966 OD2 ASP A 154 21.780 -21.176 -4.519 1.00 15.23 O ATOM 0 H ASP A 154 21.284 -16.638 -5.656 1.00 3.22 H new ATOM 0 HA ASP A 154 20.749 -18.875 -3.885 1.00 52.12 H new ATOM 0 HB2 ASP A 154 21.169 -19.145 -6.318 1.00 3.34 H new ATOM 0 HB3 ASP A 154 22.790 -18.515 -6.102 1.00 3.34 H new ATOM 971 N ASP A 155 23.195 -16.853 -3.457 1.00 13.22 N ATOM 972 CA ASP A 155 24.377 -16.478 -2.699 1.00 74.43 C ATOM 973 C ASP A 155 24.032 -15.433 -1.659 1.00 32.42 C ATOM 974 O ASP A 155 23.472 -14.390 -1.984 1.00 41.32 O ATOM 975 CB ASP A 155 25.441 -15.925 -3.637 1.00 52.45 C ATOM 976 CG ASP A 155 26.752 -15.658 -2.948 1.00 73.34 C ATOM 977 OD1 ASP A 155 27.512 -16.617 -2.714 1.00 42.01 O ATOM 978 OD2 ASP A 155 27.031 -14.487 -2.653 1.00 14.34 O ATOM 0 H ASP A 155 22.796 -16.093 -4.008 1.00 13.22 H new ATOM 0 HA ASP A 155 24.759 -17.366 -2.196 1.00 74.43 H new ATOM 0 HB2 ASP A 155 25.602 -16.632 -4.451 1.00 52.45 H new ATOM 0 HB3 ASP A 155 25.077 -15.000 -4.085 1.00 52.45 H new ATOM 983 N HIS A 156 24.380 -15.711 -0.413 1.00 22.40 N ATOM 984 CA HIS A 156 24.082 -14.800 0.682 1.00 11.14 C ATOM 985 C HIS A 156 25.072 -13.638 0.724 1.00 14.33 C ATOM 986 O HIS A 156 24.877 -12.677 1.470 1.00 1.45 O ATOM 987 CB HIS A 156 24.078 -15.543 2.024 1.00 0.54 C ATOM 988 CG HIS A 156 25.365 -16.237 2.365 1.00 11.42 C ATOM 989 ND1 HIS A 156 25.392 -17.576 2.653 1.00 12.33 N ATOM 990 CD2 HIS A 156 26.614 -15.731 2.506 1.00 54.21 C ATOM 991 CE1 HIS A 156 26.645 -17.853 2.968 1.00 33.15 C ATOM 992 NE2 HIS A 156 27.424 -16.766 2.894 1.00 13.33 N ATOM 0 H HIS A 156 24.870 -16.561 -0.134 1.00 22.40 H new ATOM 0 HA HIS A 156 23.087 -14.391 0.507 1.00 11.14 H new ATOM 0 HB2 HIS A 156 23.845 -14.832 2.816 1.00 0.54 H new ATOM 0 HB3 HIS A 156 23.276 -16.281 2.012 1.00 0.54 H new ATOM 0 HD2 HIS A 156 26.914 -14.706 2.343 1.00 54.21 H new ATOM 0 HE1 HIS A 156 26.997 -18.834 3.250 1.00 33.15 H new ATOM 0 HE2 HIS A 156 28.424 -16.718 3.088 1.00 13.33 H new ATOM 1000 N ASP A 157 26.120 -13.713 -0.088 1.00 3.31 N ATOM 1001 CA ASP A 157 27.155 -12.682 -0.070 1.00 4.13 C ATOM 1002 C ASP A 157 26.780 -11.577 -1.042 1.00 71.42 C ATOM 1003 O ASP A 157 27.016 -10.396 -0.789 1.00 52.30 O ATOM 1004 CB ASP A 157 28.523 -13.280 -0.406 1.00 22.53 C ATOM 1005 CG ASP A 157 29.594 -12.231 -0.611 1.00 53.51 C ATOM 1006 OD1 ASP A 157 29.973 -11.987 -1.774 1.00 33.52 O ATOM 1007 OD2 ASP A 157 30.073 -11.654 0.387 1.00 25.43 O ATOM 0 H ASP A 157 26.276 -14.465 -0.759 1.00 3.31 H new ATOM 0 HA ASP A 157 27.226 -12.258 0.932 1.00 4.13 H new ATOM 0 HB2 ASP A 157 28.828 -13.950 0.398 1.00 22.53 H new ATOM 0 HB3 ASP A 157 28.437 -13.884 -1.309 1.00 22.53 H new ATOM 1012 N SER A 158 26.177 -11.979 -2.152 1.00 33.01 N ATOM 1013 CA SER A 158 25.529 -11.048 -3.061 1.00 4.32 C ATOM 1014 C SER A 158 24.512 -10.205 -2.296 1.00 32.11 C ATOM 1015 O SER A 158 24.407 -8.993 -2.492 1.00 21.23 O ATOM 1016 CB SER A 158 24.835 -11.820 -4.188 1.00 21.24 C ATOM 1017 OG SER A 158 24.170 -10.946 -5.081 1.00 50.43 O ATOM 0 H SER A 158 26.124 -12.954 -2.445 1.00 33.01 H new ATOM 0 HA SER A 158 26.279 -10.388 -3.497 1.00 4.32 H new ATOM 0 HB2 SER A 158 25.572 -12.409 -4.734 1.00 21.24 H new ATOM 0 HB3 SER A 158 24.118 -12.522 -3.762 1.00 21.24 H new ATOM 0 HG SER A 158 23.232 -11.216 -5.165 1.00 50.43 H new ATOM 1023 N VAL A 159 23.790 -10.859 -1.394 1.00 11.41 N ATOM 1024 CA VAL A 159 22.796 -10.192 -0.568 1.00 31.42 C ATOM 1025 C VAL A 159 23.471 -9.234 0.409 1.00 61.42 C ATOM 1026 O VAL A 159 22.937 -8.168 0.717 1.00 33.52 O ATOM 1027 CB VAL A 159 21.954 -11.212 0.224 1.00 41.34 C ATOM 1028 CG1 VAL A 159 20.745 -10.550 0.847 1.00 45.41 C ATOM 1029 CG2 VAL A 159 21.532 -12.369 -0.663 1.00 34.01 C ATOM 0 H VAL A 159 23.877 -11.860 -1.217 1.00 11.41 H new ATOM 0 HA VAL A 159 22.138 -9.633 -1.233 1.00 31.42 H new ATOM 0 HB VAL A 159 22.576 -11.607 1.028 1.00 41.34 H new ATOM 0 HG11 VAL A 159 20.168 -11.292 1.400 1.00 45.41 H new ATOM 0 HG12 VAL A 159 21.071 -9.763 1.527 1.00 45.41 H new ATOM 0 HG13 VAL A 159 20.123 -10.117 0.063 1.00 45.41 H new ATOM 0 HG21 VAL A 159 20.939 -13.075 -0.082 1.00 34.01 H new ATOM 0 HG22 VAL A 159 20.936 -11.992 -1.494 1.00 34.01 H new ATOM 0 HG23 VAL A 159 22.418 -12.872 -1.051 1.00 34.01 H new ATOM 1039 N ASP A 160 24.660 -9.609 0.870 1.00 72.04 N ATOM 1040 CA ASP A 160 25.409 -8.800 1.830 1.00 73.42 C ATOM 1041 C ASP A 160 25.802 -7.460 1.217 1.00 25.30 C ATOM 1042 O ASP A 160 25.930 -6.464 1.920 1.00 72.31 O ATOM 1043 CB ASP A 160 26.661 -9.547 2.298 1.00 34.43 C ATOM 1044 CG ASP A 160 27.358 -8.860 3.459 1.00 54.52 C ATOM 1045 OD1 ASP A 160 27.046 -9.193 4.619 1.00 22.50 O ATOM 1046 OD2 ASP A 160 28.237 -8.003 3.217 1.00 52.11 O ATOM 0 H ASP A 160 25.129 -10.472 0.594 1.00 72.04 H new ATOM 0 HA ASP A 160 24.766 -8.614 2.690 1.00 73.42 H new ATOM 0 HB2 ASP A 160 26.385 -10.559 2.594 1.00 34.43 H new ATOM 0 HB3 ASP A 160 27.357 -9.637 1.464 1.00 34.43 H new ATOM 1051 N LYS A 161 25.977 -7.436 -0.100 1.00 10.42 N ATOM 1052 CA LYS A 161 26.303 -6.195 -0.805 1.00 52.54 C ATOM 1053 C LYS A 161 25.099 -5.266 -0.801 1.00 53.02 C ATOM 1054 O LYS A 161 25.224 -4.047 -0.918 1.00 52.30 O ATOM 1055 CB LYS A 161 26.668 -6.457 -2.270 1.00 64.44 C ATOM 1056 CG LYS A 161 27.452 -7.727 -2.546 1.00 34.22 C ATOM 1057 CD LYS A 161 28.785 -7.763 -1.832 1.00 53.44 C ATOM 1058 CE LYS A 161 29.687 -8.809 -2.453 1.00 43.13 C ATOM 1059 NZ LYS A 161 30.188 -8.394 -3.790 1.00 63.55 N ATOM 0 H LYS A 161 25.900 -8.256 -0.701 1.00 10.42 H new ATOM 0 HA LYS A 161 27.153 -5.749 -0.288 1.00 52.54 H new ATOM 0 HB2 LYS A 161 25.747 -6.489 -2.853 1.00 64.44 H new ATOM 0 HB3 LYS A 161 27.248 -5.610 -2.636 1.00 64.44 H new ATOM 0 HG2 LYS A 161 26.858 -8.588 -2.240 1.00 34.22 H new ATOM 0 HG3 LYS A 161 27.618 -7.820 -3.619 1.00 34.22 H new ATOM 0 HD2 LYS A 161 29.261 -6.784 -1.887 1.00 53.44 H new ATOM 0 HD3 LYS A 161 28.633 -7.985 -0.776 1.00 53.44 H new ATOM 0 HE2 LYS A 161 30.533 -8.996 -1.792 1.00 43.13 H new ATOM 0 HE3 LYS A 161 29.141 -9.748 -2.546 1.00 43.13 H new ATOM 0 HZ1 LYS A 161 31.027 -8.957 -4.036 1.00 63.55 H new ATOM 0 HZ2 LYS A 161 29.446 -8.549 -4.502 1.00 63.55 H new ATOM 0 HZ3 LYS A 161 30.441 -7.386 -3.768 1.00 63.55 H new ATOM 1073 N ILE A 162 23.932 -5.866 -0.664 1.00 45.15 N ATOM 1074 CA ILE A 162 22.681 -5.170 -0.870 1.00 22.34 C ATOM 1075 C ILE A 162 22.043 -4.740 0.451 1.00 33.11 C ATOM 1076 O ILE A 162 21.656 -3.584 0.605 1.00 3.25 O ATOM 1077 CB ILE A 162 21.713 -6.074 -1.657 1.00 42.31 C ATOM 1078 CG1 ILE A 162 22.329 -6.425 -3.010 1.00 24.14 C ATOM 1079 CG2 ILE A 162 20.363 -5.405 -1.842 1.00 65.54 C ATOM 1080 CD1 ILE A 162 21.555 -7.469 -3.776 1.00 14.42 C ATOM 0 H ILE A 162 23.827 -6.848 -0.407 1.00 45.15 H new ATOM 0 HA ILE A 162 22.889 -4.265 -1.440 1.00 22.34 H new ATOM 0 HB ILE A 162 21.550 -6.989 -1.087 1.00 42.31 H new ATOM 0 HG12 ILE A 162 22.397 -5.520 -3.614 1.00 24.14 H new ATOM 0 HG13 ILE A 162 23.347 -6.782 -2.854 1.00 24.14 H new ATOM 0 HG21 ILE A 162 19.702 -6.068 -2.401 1.00 65.54 H new ATOM 0 HG22 ILE A 162 19.925 -5.194 -0.867 1.00 65.54 H new ATOM 0 HG23 ILE A 162 20.491 -4.473 -2.392 1.00 65.54 H new ATOM 0 HD11 ILE A 162 22.052 -7.667 -4.726 1.00 14.42 H new ATOM 0 HD12 ILE A 162 21.509 -8.389 -3.193 1.00 14.42 H new ATOM 0 HD13 ILE A 162 20.544 -7.107 -3.964 1.00 14.42 H new ATOM 1092 N VAL A 163 21.960 -5.664 1.403 1.00 5.41 N ATOM 1093 CA VAL A 163 21.253 -5.418 2.663 1.00 62.12 C ATOM 1094 C VAL A 163 22.016 -4.474 3.596 1.00 64.23 C ATOM 1095 O VAL A 163 21.495 -4.073 4.638 1.00 71.21 O ATOM 1096 CB VAL A 163 20.961 -6.733 3.419 1.00 52.41 C ATOM 1097 CG1 VAL A 163 20.112 -7.665 2.573 1.00 64.23 C ATOM 1098 CG2 VAL A 163 22.251 -7.423 3.841 1.00 61.51 C ATOM 0 H VAL A 163 22.374 -6.593 1.329 1.00 5.41 H new ATOM 0 HA VAL A 163 20.315 -4.941 2.380 1.00 62.12 H new ATOM 0 HB VAL A 163 20.402 -6.480 4.320 1.00 52.41 H new ATOM 0 HG11 VAL A 163 19.919 -8.584 3.126 1.00 64.23 H new ATOM 0 HG12 VAL A 163 19.166 -7.180 2.335 1.00 64.23 H new ATOM 0 HG13 VAL A 163 20.641 -7.901 1.650 1.00 64.23 H new ATOM 0 HG21 VAL A 163 22.014 -8.346 4.371 1.00 61.51 H new ATOM 0 HG22 VAL A 163 22.846 -7.655 2.957 1.00 61.51 H new ATOM 0 HG23 VAL A 163 22.819 -6.763 4.497 1.00 61.51 H new ATOM 1108 N ILE A 164 23.246 -4.137 3.239 1.00 35.13 N ATOM 1109 CA ILE A 164 24.043 -3.227 4.059 1.00 72.01 C ATOM 1110 C ILE A 164 23.630 -1.777 3.845 1.00 12.14 C ATOM 1111 O ILE A 164 23.659 -0.973 4.777 1.00 34.42 O ATOM 1112 CB ILE A 164 25.566 -3.394 3.830 1.00 14.31 C ATOM 1113 CG1 ILE A 164 25.923 -3.499 2.339 1.00 24.31 C ATOM 1114 CG2 ILE A 164 26.067 -4.616 4.581 1.00 53.00 C ATOM 1115 CD1 ILE A 164 26.118 -2.178 1.632 1.00 54.11 C ATOM 0 H ILE A 164 23.713 -4.474 2.397 1.00 35.13 H new ATOM 0 HA ILE A 164 23.840 -3.497 5.095 1.00 72.01 H new ATOM 0 HB ILE A 164 26.058 -2.500 4.213 1.00 14.31 H new ATOM 0 HG12 ILE A 164 26.837 -4.084 2.241 1.00 24.31 H new ATOM 0 HG13 ILE A 164 25.134 -4.053 1.830 1.00 24.31 H new ATOM 0 HG21 ILE A 164 27.139 -4.730 4.417 1.00 53.00 H new ATOM 0 HG22 ILE A 164 25.874 -4.493 5.647 1.00 53.00 H new ATOM 0 HG23 ILE A 164 25.548 -5.504 4.219 1.00 53.00 H new ATOM 0 HD11 ILE A 164 26.366 -2.358 0.586 1.00 54.11 H new ATOM 0 HD12 ILE A 164 25.199 -1.594 1.691 1.00 54.11 H new ATOM 0 HD13 ILE A 164 26.929 -1.627 2.108 1.00 54.11 H new ATOM 1127 N GLN A 165 23.229 -1.452 2.628 1.00 53.02 N ATOM 1128 CA GLN A 165 22.747 -0.115 2.326 1.00 22.03 C ATOM 1129 C GLN A 165 21.243 -0.156 2.103 1.00 53.51 C ATOM 1130 O GLN A 165 20.651 -1.232 2.043 1.00 10.43 O ATOM 1131 CB GLN A 165 23.458 0.466 1.101 1.00 32.21 C ATOM 1132 CG GLN A 165 23.077 -0.199 -0.208 1.00 3.30 C ATOM 1133 CD GLN A 165 23.805 0.395 -1.393 1.00 2.33 C ATOM 1134 OE1 GLN A 165 24.956 0.817 -1.281 1.00 31.03 O ATOM 1135 NE2 GLN A 165 23.138 0.449 -2.531 1.00 13.42 N ATOM 0 H GLN A 165 23.227 -2.093 1.835 1.00 53.02 H new ATOM 0 HA GLN A 165 22.968 0.535 3.172 1.00 22.03 H new ATOM 0 HB2 GLN A 165 23.233 1.531 1.034 1.00 32.21 H new ATOM 0 HB3 GLN A 165 24.535 0.376 1.242 1.00 32.21 H new ATOM 0 HG2 GLN A 165 23.297 -1.265 -0.148 1.00 3.30 H new ATOM 0 HG3 GLN A 165 22.002 -0.103 -0.361 1.00 3.30 H new ATOM 0 HE21 GLN A 165 22.185 0.088 -2.581 1.00 13.42 H new ATOM 0 HE22 GLN A 165 23.575 0.852 -3.360 1.00 13.42 H new ATOM 1144 N LYS A 166 20.624 1.006 1.992 1.00 72.14 N ATOM 1145 CA LYS A 166 19.176 1.083 1.886 1.00 61.22 C ATOM 1146 C LYS A 166 18.750 1.557 0.503 1.00 23.13 C ATOM 1147 O LYS A 166 18.035 0.856 -0.211 1.00 64.34 O ATOM 1148 CB LYS A 166 18.633 2.024 2.967 1.00 34.33 C ATOM 1149 CG LYS A 166 17.139 2.278 2.885 1.00 22.22 C ATOM 1150 CD LYS A 166 16.674 3.181 4.016 1.00 64.52 C ATOM 1151 CE LYS A 166 15.213 3.572 3.861 1.00 15.01 C ATOM 1152 NZ LYS A 166 14.735 4.391 5.005 1.00 51.24 N ATOM 0 H LYS A 166 21.099 1.908 1.973 1.00 72.14 H new ATOM 0 HA LYS A 166 18.762 0.086 2.035 1.00 61.22 H new ATOM 0 HB2 LYS A 166 18.865 1.605 3.946 1.00 34.33 H new ATOM 0 HB3 LYS A 166 19.156 2.978 2.897 1.00 34.33 H new ATOM 0 HG2 LYS A 166 16.897 2.737 1.926 1.00 22.22 H new ATOM 0 HG3 LYS A 166 16.603 1.330 2.929 1.00 22.22 H new ATOM 0 HD2 LYS A 166 16.815 2.672 4.969 1.00 64.52 H new ATOM 0 HD3 LYS A 166 17.290 4.080 4.041 1.00 64.52 H new ATOM 0 HE2 LYS A 166 15.083 4.131 2.935 1.00 15.01 H new ATOM 0 HE3 LYS A 166 14.603 2.672 3.778 1.00 15.01 H new ATOM 0 HZ1 LYS A 166 13.735 4.637 4.862 1.00 51.24 H new ATOM 0 HZ2 LYS A 166 14.835 3.848 5.886 1.00 51.24 H new ATOM 0 HZ3 LYS A 166 15.300 5.262 5.069 1.00 51.24 H new ATOM 1166 N TYR A 167 19.195 2.744 0.133 1.00 31.35 N ATOM 1167 CA TYR A 167 18.802 3.352 -1.126 1.00 3.05 C ATOM 1168 C TYR A 167 19.546 2.747 -2.310 1.00 12.41 C ATOM 1169 O TYR A 167 20.691 3.102 -2.595 1.00 32.20 O ATOM 1170 CB TYR A 167 19.026 4.862 -1.083 1.00 32.21 C ATOM 1171 CG TYR A 167 18.085 5.594 -0.152 1.00 52.10 C ATOM 1172 CD1 TYR A 167 18.380 6.875 0.294 1.00 20.11 C ATOM 1173 CD2 TYR A 167 16.896 5.009 0.275 1.00 44.13 C ATOM 1174 CE1 TYR A 167 17.520 7.553 1.137 1.00 63.51 C ATOM 1175 CE2 TYR A 167 16.034 5.681 1.117 1.00 41.54 C ATOM 1176 CZ TYR A 167 16.349 6.952 1.545 1.00 4.34 C ATOM 1177 OH TYR A 167 15.490 7.620 2.388 1.00 63.54 O ATOM 0 H TYR A 167 19.834 3.310 0.691 1.00 31.35 H new ATOM 0 HA TYR A 167 17.740 3.149 -1.264 1.00 3.05 H new ATOM 0 HB2 TYR A 167 20.053 5.059 -0.775 1.00 32.21 H new ATOM 0 HB3 TYR A 167 18.913 5.265 -2.089 1.00 32.21 H new ATOM 0 HD1 TYR A 167 19.297 7.350 -0.023 1.00 20.11 H new ATOM 0 HD2 TYR A 167 16.644 4.013 -0.058 1.00 44.13 H new ATOM 0 HE1 TYR A 167 17.765 8.549 1.474 1.00 63.51 H new ATOM 0 HE2 TYR A 167 15.116 5.212 1.439 1.00 41.54 H new ATOM 0 HH TYR A 167 14.712 7.055 2.577 1.00 63.54 H new ATOM 1187 N HIS A 168 18.881 1.832 -2.994 1.00 71.21 N ATOM 1188 CA HIS A 168 19.408 1.250 -4.218 1.00 72.51 C ATOM 1189 C HIS A 168 18.795 1.939 -5.428 1.00 34.55 C ATOM 1190 O HIS A 168 17.737 2.565 -5.325 1.00 40.43 O ATOM 1191 CB HIS A 168 19.128 -0.255 -4.271 1.00 3.13 C ATOM 1192 CG HIS A 168 20.011 -1.064 -3.374 1.00 14.04 C ATOM 1193 ND1 HIS A 168 21.083 -1.765 -3.872 1.00 71.22 N ATOM 1194 CD2 HIS A 168 19.938 -1.260 -2.036 1.00 50.33 C ATOM 1195 CE1 HIS A 168 21.634 -2.370 -2.836 1.00 11.54 C ATOM 1196 NE2 HIS A 168 20.975 -2.092 -1.702 1.00 43.41 N ATOM 0 H HIS A 168 17.967 1.473 -2.720 1.00 71.21 H new ATOM 0 HA HIS A 168 20.488 1.397 -4.231 1.00 72.51 H new ATOM 0 HB2 HIS A 168 18.088 -0.432 -3.997 1.00 3.13 H new ATOM 0 HB3 HIS A 168 19.251 -0.602 -5.297 1.00 3.13 H new ATOM 0 HD2 HIS A 168 19.205 -0.842 -1.362 1.00 50.33 H new ATOM 0 HE1 HIS A 168 22.504 -3.007 -2.894 1.00 11.54 H new ATOM 0 HE2 HIS A 168 21.202 -2.434 -0.768 1.00 43.41 H new ATOM 1204 N THR A 169 19.455 1.836 -6.567 1.00 14.02 N ATOM 1205 CA THR A 169 18.980 2.489 -7.773 1.00 43.44 C ATOM 1206 C THR A 169 18.354 1.479 -8.730 1.00 74.33 C ATOM 1207 O THR A 169 19.012 0.978 -9.638 1.00 53.42 O ATOM 1208 CB THR A 169 20.125 3.236 -8.481 1.00 43.40 C ATOM 1209 OG1 THR A 169 20.871 3.996 -7.518 1.00 31.52 O ATOM 1210 CG2 THR A 169 19.586 4.168 -9.557 1.00 44.51 C ATOM 0 H THR A 169 20.320 1.308 -6.682 1.00 14.02 H new ATOM 0 HA THR A 169 18.219 3.211 -7.478 1.00 43.44 H new ATOM 0 HB THR A 169 20.773 2.500 -8.956 1.00 43.40 H new ATOM 0 HG1 THR A 169 21.601 4.470 -7.969 1.00 31.52 H new ATOM 0 HG21 THR A 169 20.416 4.683 -10.041 1.00 44.51 H new ATOM 0 HG22 THR A 169 19.036 3.588 -10.299 1.00 44.51 H new ATOM 0 HG23 THR A 169 18.919 4.901 -9.103 1.00 44.51 H new ATOM 1218 N VAL A 170 17.088 1.165 -8.511 1.00 31.23 N ATOM 1219 CA VAL A 170 16.389 0.210 -9.357 1.00 62.25 C ATOM 1220 C VAL A 170 15.400 0.938 -10.254 1.00 33.21 C ATOM 1221 O VAL A 170 14.658 1.801 -9.782 1.00 12.01 O ATOM 1222 CB VAL A 170 15.630 -0.847 -8.528 1.00 43.30 C ATOM 1223 CG1 VAL A 170 15.069 -1.935 -9.432 1.00 74.51 C ATOM 1224 CG2 VAL A 170 16.528 -1.447 -7.457 1.00 14.31 C ATOM 0 H VAL A 170 16.524 1.556 -7.757 1.00 31.23 H new ATOM 0 HA VAL A 170 17.141 -0.301 -9.958 1.00 62.25 H new ATOM 0 HB VAL A 170 14.797 -0.352 -8.029 1.00 43.30 H new ATOM 0 HG11 VAL A 170 14.537 -2.671 -8.829 1.00 74.51 H new ATOM 0 HG12 VAL A 170 14.382 -1.491 -10.152 1.00 74.51 H new ATOM 0 HG13 VAL A 170 15.886 -2.423 -9.964 1.00 74.51 H new ATOM 0 HG21 VAL A 170 15.969 -2.189 -6.887 1.00 14.31 H new ATOM 0 HG22 VAL A 170 17.388 -1.924 -7.928 1.00 14.31 H new ATOM 0 HG23 VAL A 170 16.872 -0.659 -6.787 1.00 14.31 H new ATOM 1234 N ASN A 171 15.426 0.615 -11.551 1.00 24.51 N ATOM 1235 CA ASN A 171 14.507 1.209 -12.533 1.00 14.23 C ATOM 1236 C ASN A 171 14.818 2.702 -12.698 1.00 12.01 C ATOM 1237 O ASN A 171 14.048 3.463 -13.282 1.00 15.40 O ATOM 1238 CB ASN A 171 13.048 0.995 -12.086 1.00 73.11 C ATOM 1239 CG ASN A 171 12.018 1.140 -13.198 1.00 23.32 C ATOM 1240 OD1 ASN A 171 12.235 1.808 -14.208 1.00 72.44 O ATOM 1241 ND2 ASN A 171 10.864 0.520 -13.000 1.00 23.32 N ATOM 0 H ASN A 171 16.079 -0.060 -11.950 1.00 24.51 H new ATOM 0 HA ASN A 171 14.642 0.721 -13.498 1.00 14.23 H new ATOM 0 HB2 ASN A 171 12.957 -0.001 -11.652 1.00 73.11 H new ATOM 0 HB3 ASN A 171 12.815 1.710 -11.297 1.00 73.11 H new ATOM 0 HD21 ASN A 171 10.122 0.588 -13.697 1.00 23.32 H new ATOM 0 HD22 ASN A 171 10.717 -0.026 -12.151 1.00 23.32 H new ATOM 1248 N GLY A 172 15.972 3.111 -12.185 1.00 11.12 N ATOM 1249 CA GLY A 172 16.350 4.510 -12.221 1.00 74.01 C ATOM 1250 C GLY A 172 15.695 5.306 -11.109 1.00 52.23 C ATOM 1251 O GLY A 172 15.622 6.535 -11.171 1.00 72.41 O ATOM 0 H GLY A 172 16.655 2.496 -11.743 1.00 11.12 H new ATOM 0 HA2 GLY A 172 17.433 4.595 -12.137 1.00 74.01 H new ATOM 0 HA3 GLY A 172 16.070 4.936 -13.185 1.00 74.01 H new ATOM 1255 N HIS A 173 15.205 4.606 -10.095 1.00 3.24 N ATOM 1256 CA HIS A 173 14.559 5.253 -8.961 1.00 0.52 C ATOM 1257 C HIS A 173 15.334 4.983 -7.679 1.00 42.13 C ATOM 1258 O HIS A 173 16.134 4.048 -7.604 1.00 1.42 O ATOM 1259 CB HIS A 173 13.116 4.762 -8.796 1.00 52.13 C ATOM 1260 CG HIS A 173 12.233 5.040 -9.975 1.00 72.55 C ATOM 1261 ND1 HIS A 173 11.492 6.195 -10.066 1.00 72.22 N ATOM 1262 CD2 HIS A 173 12.005 4.282 -11.072 1.00 41.11 C ATOM 1263 CE1 HIS A 173 10.837 6.111 -11.212 1.00 12.51 C ATOM 1264 NE2 HIS A 173 11.116 4.970 -11.854 1.00 2.41 N ATOM 0 H HIS A 173 15.243 3.588 -10.034 1.00 3.24 H new ATOM 0 HA HIS A 173 14.546 6.325 -9.156 1.00 0.52 H new ATOM 0 HB2 HIS A 173 13.129 3.688 -8.611 1.00 52.13 H new ATOM 0 HB3 HIS A 173 12.683 5.232 -7.913 1.00 52.13 H new ATOM 0 HD2 HIS A 173 12.441 3.318 -11.290 1.00 41.11 H new ATOM 0 HE1 HIS A 173 10.162 6.868 -11.583 1.00 12.51 H new ATOM 0 HE2 HIS A 173 10.739 4.671 -12.753 1.00 2.41 H new ATOM 1272 N ASN A 174 15.101 5.819 -6.681 1.00 23.42 N ATOM 1273 CA ASN A 174 15.683 5.630 -5.362 1.00 2.33 C ATOM 1274 C ASN A 174 14.780 4.723 -4.534 1.00 71.33 C ATOM 1275 O ASN A 174 13.698 5.131 -4.103 1.00 71.41 O ATOM 1276 CB ASN A 174 15.868 6.986 -4.671 1.00 42.02 C ATOM 1277 CG ASN A 174 16.524 6.878 -3.308 1.00 2.41 C ATOM 1278 OD1 ASN A 174 15.851 6.712 -2.294 1.00 3.21 O ATOM 1279 ND2 ASN A 174 17.844 6.989 -3.274 1.00 30.23 N ATOM 0 H ASN A 174 14.506 6.644 -6.761 1.00 23.42 H new ATOM 0 HA ASN A 174 16.661 5.159 -5.459 1.00 2.33 H new ATOM 0 HB2 ASN A 174 16.473 7.631 -5.308 1.00 42.02 H new ATOM 0 HB3 ASN A 174 14.896 7.466 -4.562 1.00 42.02 H new ATOM 0 HD21 ASN A 174 18.337 6.937 -2.383 1.00 30.23 H new ATOM 0 HD22 ASN A 174 18.367 7.126 -4.139 1.00 30.23 H new ATOM 1286 N CYS A 175 15.210 3.485 -4.347 1.00 13.11 N ATOM 1287 CA CYS A 175 14.399 2.494 -3.658 1.00 1.15 C ATOM 1288 C CYS A 175 15.043 2.081 -2.341 1.00 51.53 C ATOM 1289 O CYS A 175 16.247 2.239 -2.156 1.00 22.10 O ATOM 1290 CB CYS A 175 14.207 1.268 -4.553 1.00 11.13 C ATOM 1291 SG CYS A 175 13.438 1.640 -6.147 1.00 75.34 S ATOM 0 H CYS A 175 16.117 3.142 -4.663 1.00 13.11 H new ATOM 0 HA CYS A 175 13.428 2.938 -3.438 1.00 1.15 H new ATOM 0 HB2 CYS A 175 15.177 0.802 -4.728 1.00 11.13 H new ATOM 0 HB3 CYS A 175 13.593 0.538 -4.026 1.00 11.13 H new ATOM 0 HG CYS A 175 13.124 0.530 -6.747 1.00 75.34 H new ATOM 1297 N GLU A 176 14.235 1.551 -1.438 1.00 21.12 N ATOM 1298 CA GLU A 176 14.718 1.085 -0.149 1.00 43.40 C ATOM 1299 C GLU A 176 14.814 -0.432 -0.143 1.00 73.31 C ATOM 1300 O GLU A 176 13.848 -1.127 -0.456 1.00 11.13 O ATOM 1301 CB GLU A 176 13.789 1.552 0.974 1.00 64.13 C ATOM 1302 CG GLU A 176 13.966 0.782 2.277 1.00 35.04 C ATOM 1303 CD GLU A 176 12.769 0.891 3.199 1.00 74.33 C ATOM 1304 OE1 GLU A 176 12.763 1.787 4.068 1.00 64.50 O ATOM 1305 OE2 GLU A 176 11.840 0.070 3.067 1.00 11.33 O ATOM 0 H GLU A 176 13.231 1.432 -1.576 1.00 21.12 H new ATOM 0 HA GLU A 176 15.709 1.506 0.020 1.00 43.40 H new ATOM 0 HB2 GLU A 176 13.965 2.611 1.162 1.00 64.13 H new ATOM 0 HB3 GLU A 176 12.755 1.454 0.642 1.00 64.13 H new ATOM 0 HG2 GLU A 176 14.147 -0.268 2.050 1.00 35.04 H new ATOM 0 HG3 GLU A 176 14.851 1.153 2.794 1.00 35.04 H new ATOM 1312 N VAL A 177 15.985 -0.939 0.193 1.00 32.12 N ATOM 1313 CA VAL A 177 16.186 -2.367 0.295 1.00 71.43 C ATOM 1314 C VAL A 177 16.689 -2.747 1.681 1.00 73.24 C ATOM 1315 O VAL A 177 17.570 -2.094 2.244 1.00 23.15 O ATOM 1316 CB VAL A 177 17.172 -2.883 -0.772 1.00 11.11 C ATOM 1317 CG1 VAL A 177 17.378 -4.379 -0.627 1.00 15.12 C ATOM 1318 CG2 VAL A 177 16.676 -2.544 -2.170 1.00 22.14 C ATOM 0 H VAL A 177 16.812 -0.379 0.400 1.00 32.12 H new ATOM 0 HA VAL A 177 15.218 -2.837 0.123 1.00 71.43 H new ATOM 0 HB VAL A 177 18.131 -2.388 -0.620 1.00 11.11 H new ATOM 0 HG11 VAL A 177 18.077 -4.726 -1.388 1.00 15.12 H new ATOM 0 HG12 VAL A 177 17.782 -4.597 0.362 1.00 15.12 H new ATOM 0 HG13 VAL A 177 16.424 -4.891 -0.750 1.00 15.12 H new ATOM 0 HG21 VAL A 177 17.386 -2.917 -2.908 1.00 22.14 H new ATOM 0 HG22 VAL A 177 15.704 -3.009 -2.334 1.00 22.14 H new ATOM 0 HG23 VAL A 177 16.582 -1.463 -2.271 1.00 22.14 H new ATOM 1328 N ARG A 178 16.101 -3.795 2.228 1.00 2.35 N ATOM 1329 CA ARG A 178 16.501 -4.342 3.514 1.00 12.11 C ATOM 1330 C ARG A 178 16.461 -5.861 3.440 1.00 11.03 C ATOM 1331 O ARG A 178 15.896 -6.414 2.495 1.00 71.12 O ATOM 1332 CB ARG A 178 15.592 -3.811 4.633 1.00 70.44 C ATOM 1333 CG ARG A 178 14.204 -3.399 4.154 1.00 0.24 C ATOM 1334 CD ARG A 178 13.388 -2.765 5.270 1.00 13.45 C ATOM 1335 NE ARG A 178 12.226 -2.045 4.758 1.00 24.43 N ATOM 1336 CZ ARG A 178 11.020 -2.046 5.324 1.00 71.42 C ATOM 1337 NH1 ARG A 178 10.787 -2.739 6.433 1.00 54.55 N ATOM 1338 NH2 ARG A 178 10.048 -1.336 4.778 1.00 12.12 N ATOM 0 H ARG A 178 15.327 -4.295 1.790 1.00 2.35 H new ATOM 0 HA ARG A 178 17.518 -4.027 3.747 1.00 12.11 H new ATOM 0 HB2 ARG A 178 15.489 -4.579 5.400 1.00 70.44 H new ATOM 0 HB3 ARG A 178 16.073 -2.954 5.103 1.00 70.44 H new ATOM 0 HG2 ARG A 178 14.299 -2.695 3.327 1.00 0.24 H new ATOM 0 HG3 ARG A 178 13.678 -4.273 3.770 1.00 0.24 H new ATOM 0 HD2 ARG A 178 13.058 -3.539 5.963 1.00 13.45 H new ATOM 0 HD3 ARG A 178 14.019 -2.079 5.836 1.00 13.45 H new ATOM 0 HE ARG A 178 12.346 -1.501 3.904 1.00 24.43 H new ATOM 0 HH11 ARG A 178 11.537 -3.280 6.863 1.00 54.55 H new ATOM 0 HH12 ARG A 178 9.858 -2.730 6.854 1.00 54.55 H new ATOM 0 HH21 ARG A 178 10.225 -0.795 3.932 1.00 12.12 H new ATOM 0 HH22 ARG A 178 9.121 -1.329 5.203 1.00 12.12 H new ATOM 1352 N LYS A 179 17.066 -6.541 4.406 1.00 73.11 N ATOM 1353 CA LYS A 179 17.120 -7.998 4.365 1.00 14.21 C ATOM 1354 C LYS A 179 15.743 -8.580 4.660 1.00 51.41 C ATOM 1355 O LYS A 179 15.108 -8.233 5.659 1.00 10.25 O ATOM 1356 CB LYS A 179 18.186 -8.545 5.333 1.00 71.11 C ATOM 1357 CG LYS A 179 17.902 -8.309 6.807 1.00 34.11 C ATOM 1358 CD LYS A 179 19.142 -8.528 7.667 1.00 63.21 C ATOM 1359 CE LYS A 179 19.833 -9.859 7.385 1.00 75.10 C ATOM 1360 NZ LYS A 179 19.086 -11.026 7.928 1.00 4.51 N ATOM 0 H LYS A 179 17.519 -6.116 5.215 1.00 73.11 H new ATOM 0 HA LYS A 179 17.413 -8.307 3.362 1.00 14.21 H new ATOM 0 HB2 LYS A 179 18.289 -9.617 5.166 1.00 71.11 H new ATOM 0 HB3 LYS A 179 19.145 -8.090 5.087 1.00 71.11 H new ATOM 0 HG2 LYS A 179 17.537 -7.292 6.948 1.00 34.11 H new ATOM 0 HG3 LYS A 179 17.109 -8.980 7.136 1.00 34.11 H new ATOM 0 HD2 LYS A 179 19.847 -7.715 7.493 1.00 63.21 H new ATOM 0 HD3 LYS A 179 18.860 -8.486 8.719 1.00 63.21 H new ATOM 0 HE2 LYS A 179 19.952 -9.980 6.308 1.00 75.10 H new ATOM 0 HE3 LYS A 179 20.834 -9.842 7.817 1.00 75.10 H new ATOM 0 HZ1 LYS A 179 19.677 -11.879 7.859 1.00 4.51 H new ATOM 0 HZ2 LYS A 179 18.846 -10.851 8.925 1.00 4.51 H new ATOM 0 HZ3 LYS A 179 18.213 -11.164 7.381 1.00 4.51 H new ATOM 1374 N ALA A 180 15.271 -9.434 3.761 1.00 24.52 N ATOM 1375 CA ALA A 180 13.940 -10.002 3.885 1.00 50.13 C ATOM 1376 C ALA A 180 13.880 -11.025 5.009 1.00 43.41 C ATOM 1377 O ALA A 180 14.718 -11.923 5.101 1.00 22.25 O ATOM 1378 CB ALA A 180 13.492 -10.629 2.571 1.00 42.02 C ATOM 0 H ALA A 180 15.791 -9.746 2.941 1.00 24.52 H new ATOM 0 HA ALA A 180 13.256 -9.189 4.130 1.00 50.13 H new ATOM 0 HB1 ALA A 180 12.493 -11.047 2.690 1.00 42.02 H new ATOM 0 HB2 ALA A 180 13.476 -9.868 1.791 1.00 42.02 H new ATOM 0 HB3 ALA A 180 14.186 -11.421 2.291 1.00 42.02 H new ATOM 1384 N LEU A 181 12.899 -10.859 5.874 1.00 45.44 N ATOM 1385 CA LEU A 181 12.643 -11.809 6.937 1.00 45.01 C ATOM 1386 C LEU A 181 11.200 -12.276 6.847 1.00 1.04 C ATOM 1387 O LEU A 181 10.321 -11.496 6.475 1.00 74.31 O ATOM 1388 CB LEU A 181 12.934 -11.196 8.319 1.00 75.54 C ATOM 1389 CG LEU A 181 11.980 -10.094 8.804 1.00 51.15 C ATOM 1390 CD1 LEU A 181 12.249 -9.780 10.266 1.00 4.30 C ATOM 1391 CD2 LEU A 181 12.123 -8.828 7.972 1.00 20.45 C ATOM 0 H LEU A 181 12.259 -10.065 5.860 1.00 45.44 H new ATOM 0 HA LEU A 181 13.310 -12.662 6.818 1.00 45.01 H new ATOM 0 HB2 LEU A 181 12.926 -12.000 9.055 1.00 75.54 H new ATOM 0 HB3 LEU A 181 13.944 -10.788 8.303 1.00 75.54 H new ATOM 0 HG LEU A 181 10.960 -10.461 8.690 1.00 51.15 H new ATOM 0 HD11 LEU A 181 11.568 -8.998 10.601 1.00 4.30 H new ATOM 0 HD12 LEU A 181 12.094 -10.677 10.865 1.00 4.30 H new ATOM 0 HD13 LEU A 181 13.278 -9.440 10.382 1.00 4.30 H new ATOM 0 HD21 LEU A 181 11.434 -8.069 8.342 1.00 20.45 H new ATOM 0 HD22 LEU A 181 13.145 -8.457 8.047 1.00 20.45 H new ATOM 0 HD23 LEU A 181 11.893 -9.050 6.930 1.00 20.45 H new ATOM 1403 N SER A 182 10.968 -13.546 7.157 1.00 33.43 N ATOM 1404 CA SER A 182 9.640 -14.145 7.061 1.00 20.45 C ATOM 1405 C SER A 182 8.591 -13.277 7.749 1.00 70.25 C ATOM 1406 O SER A 182 8.834 -12.746 8.835 1.00 25.40 O ATOM 1407 CB SER A 182 9.662 -15.530 7.705 1.00 14.04 C ATOM 1408 OG SER A 182 10.860 -16.219 7.388 1.00 23.31 O ATOM 0 H SER A 182 11.691 -14.188 7.481 1.00 33.43 H new ATOM 0 HA SER A 182 9.375 -14.227 6.007 1.00 20.45 H new ATOM 0 HB2 SER A 182 9.569 -15.433 8.787 1.00 14.04 H new ATOM 0 HB3 SER A 182 8.804 -16.108 7.362 1.00 14.04 H new ATOM 0 HG SER A 182 11.488 -16.145 8.137 1.00 23.31 H new ATOM 1414 N LYS A 183 7.427 -13.129 7.120 1.00 54.21 N ATOM 1415 CA LYS A 183 6.340 -12.352 7.707 1.00 3.20 C ATOM 1416 C LYS A 183 5.897 -12.982 9.023 1.00 60.12 C ATOM 1417 O LYS A 183 5.372 -12.307 9.907 1.00 43.02 O ATOM 1418 CB LYS A 183 5.160 -12.218 6.737 1.00 31.44 C ATOM 1419 CG LYS A 183 4.676 -13.530 6.151 1.00 1.11 C ATOM 1420 CD LYS A 183 3.392 -13.332 5.364 1.00 70.23 C ATOM 1421 CE LYS A 183 2.964 -14.603 4.653 1.00 3.50 C ATOM 1422 NZ LYS A 183 2.539 -15.666 5.600 1.00 15.44 N ATOM 0 H LYS A 183 7.214 -13.535 6.209 1.00 54.21 H new ATOM 0 HA LYS A 183 6.709 -11.346 7.908 1.00 3.20 H new ATOM 0 HB2 LYS A 183 4.331 -11.739 7.258 1.00 31.44 H new ATOM 0 HB3 LYS A 183 5.450 -11.555 5.922 1.00 31.44 H new ATOM 0 HG2 LYS A 183 5.445 -13.948 5.501 1.00 1.11 H new ATOM 0 HG3 LYS A 183 4.509 -14.251 6.952 1.00 1.11 H new ATOM 0 HD2 LYS A 183 2.599 -13.008 6.038 1.00 70.23 H new ATOM 0 HD3 LYS A 183 3.533 -12.536 4.632 1.00 70.23 H new ATOM 0 HE2 LYS A 183 2.143 -14.377 3.973 1.00 3.50 H new ATOM 0 HE3 LYS A 183 3.790 -14.971 4.044 1.00 3.50 H new ATOM 0 HZ1 LYS A 183 2.240 -16.507 5.066 1.00 15.44 H new ATOM 0 HZ2 LYS A 183 3.334 -15.915 6.222 1.00 15.44 H new ATOM 0 HZ3 LYS A 183 1.744 -15.321 6.175 1.00 15.44 H new ATOM 1436 N GLN A 184 6.129 -14.283 9.136 1.00 33.13 N ATOM 1437 CA GLN A 184 5.922 -15.014 10.377 1.00 71.14 C ATOM 1438 C GLN A 184 6.781 -14.432 11.498 1.00 42.11 C ATOM 1439 O GLN A 184 6.332 -14.277 12.636 1.00 63.22 O ATOM 1440 CB GLN A 184 6.302 -16.477 10.158 1.00 73.11 C ATOM 1441 CG GLN A 184 6.252 -17.325 11.417 1.00 0.23 C ATOM 1442 CD GLN A 184 6.868 -18.696 11.217 1.00 60.34 C ATOM 1443 OE1 GLN A 184 7.441 -19.271 12.141 1.00 30.12 O ATOM 1444 NE2 GLN A 184 6.750 -19.232 10.013 1.00 2.12 N ATOM 0 H GLN A 184 6.467 -14.862 8.367 1.00 33.13 H new ATOM 0 HA GLN A 184 4.874 -14.932 10.665 1.00 71.14 H new ATOM 0 HB2 GLN A 184 5.631 -16.908 9.415 1.00 73.11 H new ATOM 0 HB3 GLN A 184 7.309 -16.522 9.742 1.00 73.11 H new ATOM 0 HG2 GLN A 184 6.776 -16.808 12.221 1.00 0.23 H new ATOM 0 HG3 GLN A 184 5.215 -17.438 11.734 1.00 0.23 H new ATOM 0 HE21 GLN A 184 6.267 -18.722 9.273 1.00 2.12 H new ATOM 0 HE22 GLN A 184 7.142 -20.155 9.825 1.00 2.12 H new ATOM 1453 N GLU A 185 8.017 -14.098 11.157 1.00 54.33 N ATOM 1454 CA GLU A 185 9.005 -13.689 12.142 1.00 33.31 C ATOM 1455 C GLU A 185 9.028 -12.175 12.310 1.00 5.32 C ATOM 1456 O GLU A 185 9.214 -11.668 13.415 1.00 13.53 O ATOM 1457 CB GLU A 185 10.387 -14.194 11.725 1.00 14.24 C ATOM 1458 CG GLU A 185 10.434 -15.698 11.521 1.00 21.13 C ATOM 1459 CD GLU A 185 11.778 -16.186 11.027 1.00 53.24 C ATOM 1460 OE1 GLU A 185 11.951 -16.323 9.796 1.00 63.01 O ATOM 1461 OE2 GLU A 185 12.658 -16.462 11.865 1.00 21.43 O ATOM 0 H GLU A 185 8.361 -14.103 10.197 1.00 54.33 H new ATOM 0 HA GLU A 185 8.732 -14.126 13.102 1.00 33.31 H new ATOM 0 HB2 GLU A 185 10.685 -13.698 10.801 1.00 14.24 H new ATOM 0 HB3 GLU A 185 11.115 -13.913 12.486 1.00 14.24 H new ATOM 0 HG2 GLU A 185 10.197 -16.194 12.462 1.00 21.13 H new ATOM 0 HG3 GLU A 185 9.664 -15.986 10.806 1.00 21.13 H new ATOM 1468 N MET A 186 8.821 -11.451 11.217 1.00 44.51 N ATOM 1469 CA MET A 186 8.831 -9.994 11.264 1.00 64.34 C ATOM 1470 C MET A 186 7.642 -9.481 12.065 1.00 62.45 C ATOM 1471 O MET A 186 7.670 -8.369 12.590 1.00 23.40 O ATOM 1472 CB MET A 186 8.821 -9.390 9.854 1.00 72.51 C ATOM 1473 CG MET A 186 7.480 -9.470 9.147 1.00 42.34 C ATOM 1474 SD MET A 186 7.498 -8.638 7.550 1.00 61.23 S ATOM 1475 CE MET A 186 7.890 -6.962 8.050 1.00 33.40 C ATOM 0 H MET A 186 8.645 -11.845 10.293 1.00 44.51 H new ATOM 0 HA MET A 186 9.752 -9.682 11.757 1.00 64.34 H new ATOM 0 HB2 MET A 186 9.123 -8.345 9.918 1.00 72.51 H new ATOM 0 HB3 MET A 186 9.569 -9.901 9.248 1.00 72.51 H new ATOM 0 HG2 MET A 186 7.208 -10.516 9.006 1.00 42.34 H new ATOM 0 HG3 MET A 186 6.712 -9.023 9.778 1.00 42.34 H new ATOM 0 HE1 MET A 186 7.532 -6.264 7.293 1.00 33.40 H new ATOM 0 HE2 MET A 186 7.407 -6.744 9.002 1.00 33.40 H new ATOM 0 HE3 MET A 186 8.970 -6.858 8.159 1.00 33.40 H new