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 173 HIS : no HE2:sc= 0.505 K(o=0.96,f=-3.1!) USER MOD Set 1.2: A 175 CYS SG : rot 180:sc= 0.452 USER MOD Set 2.1: A 124 TYR OH : rot 0:sc= 0.518 USER MOD Set 2.2: A 128 TYR OH : rot -155:sc= 0.742 USER MOD Set 2.3: A 168 HIS : no HD1:sc= -4.47! C(o=-3.2!,f=-9.3!) USER MOD Set 3.1: A 119 HIS : no HE2:sc= -2.41! X(o=-2.7!,f=-2.9) USER MOD Set 3.2: A 120 HIS : no HE2:sc= -0.32 K(o=-2.7,f=-11!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -145:sc= -0.541 (180deg=-2.11!) USER MOD Single : A 127 GLN : amide:sc= 0.91 K(o=0.91,f=-0.12) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 137:sc= -0.22 (180deg=-0.669) USER MOD Single : A 152 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 156 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.17) USER MOD Single : A 158 SER OG : rot 180:sc= -0.261 USER MOD Single : A 161 LYS NZ :NH3+ 174:sc= 0.621 (180deg=0.414) USER MOD Single : A 165 GLN : amide:sc= 0.00268 X(o=0.0027,f=0) USER MOD Single : A 166 LYS NZ :NH3+ -149:sc= 1.14 (180deg=-0.285) 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 171 ASN : amide:sc= -0.411 K(o=-0.41,f=-1) USER MOD Single : A 174 ASN : amide:sc= -0.957 K(o=-0.96,f=-0.068) USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 100:sc= 1.21 USER MOD Single : A 183 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00681) USER MOD Single : A 184 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.6!) USER MOD Single : A 186 MET CE :methyl -160:sc= -0.12 (180deg=-0.697) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 20.879 -14.430 5.328 1.00 43.14 N ATOM 137 CA VAL A 104 19.719 -14.176 4.495 1.00 12.23 C ATOM 138 C VAL A 104 20.086 -14.296 3.015 1.00 50.05 C ATOM 139 O VAL A 104 21.113 -13.789 2.579 1.00 75.23 O ATOM 140 CB VAL A 104 19.123 -12.780 4.806 1.00 64.12 C ATOM 141 CG1 VAL A 104 20.089 -11.668 4.427 1.00 11.35 C ATOM 142 CG2 VAL A 104 17.782 -12.595 4.120 1.00 55.32 C ATOM 0 HA VAL A 104 18.960 -14.926 4.718 1.00 12.23 H new ATOM 0 HB VAL A 104 18.961 -12.723 5.882 1.00 64.12 H new ATOM 0 HG11 VAL A 104 19.640 -10.702 4.658 1.00 11.35 H new ATOM 0 HG12 VAL A 104 21.015 -11.782 4.991 1.00 11.35 H new ATOM 0 HG13 VAL A 104 20.305 -11.722 3.360 1.00 11.35 H new ATOM 0 HG21 VAL A 104 17.386 -11.607 4.355 1.00 55.32 H new ATOM 0 HG22 VAL A 104 17.909 -12.688 3.041 1.00 55.32 H new ATOM 0 HG23 VAL A 104 17.086 -13.357 4.470 1.00 55.32 H new ATOM 152 N LYS A 105 19.256 -14.993 2.256 1.00 64.54 N ATOM 153 CA LYS A 105 19.518 -15.220 0.838 1.00 4.44 C ATOM 154 C LYS A 105 18.412 -14.623 -0.017 1.00 73.01 C ATOM 155 O LYS A 105 18.260 -14.958 -1.190 1.00 41.50 O ATOM 156 CB LYS A 105 19.664 -16.717 0.566 1.00 21.51 C ATOM 157 CG LYS A 105 21.041 -17.252 0.921 1.00 13.22 C ATOM 158 CD LYS A 105 20.977 -18.646 1.520 1.00 2.35 C ATOM 159 CE LYS A 105 20.324 -18.624 2.892 1.00 42.24 C ATOM 160 NZ LYS A 105 20.438 -19.931 3.585 1.00 1.11 N ATOM 0 H LYS A 105 18.392 -15.414 2.597 1.00 64.54 H new ATOM 0 HA LYS A 105 20.452 -14.724 0.572 1.00 4.44 H new ATOM 0 HB2 LYS A 105 18.911 -17.260 1.137 1.00 21.51 H new ATOM 0 HB3 LYS A 105 19.465 -16.910 -0.488 1.00 21.51 H new ATOM 0 HG2 LYS A 105 21.663 -17.271 0.026 1.00 13.22 H new ATOM 0 HG3 LYS A 105 21.520 -16.576 1.629 1.00 13.22 H new ATOM 0 HD2 LYS A 105 20.415 -19.304 0.857 1.00 2.35 H new ATOM 0 HD3 LYS A 105 21.983 -19.057 1.600 1.00 2.35 H new ATOM 0 HE2 LYS A 105 20.788 -17.849 3.502 1.00 42.24 H new ATOM 0 HE3 LYS A 105 19.272 -18.360 2.788 1.00 42.24 H new ATOM 0 HZ1 LYS A 105 19.980 -19.871 4.517 1.00 1.11 H new ATOM 0 HZ2 LYS A 105 19.972 -20.667 3.017 1.00 1.11 H new ATOM 0 HZ3 LYS A 105 21.442 -20.172 3.708 1.00 1.11 H new ATOM 174 N LYS A 106 17.653 -13.725 0.581 1.00 25.43 N ATOM 175 CA LYS A 106 16.596 -13.020 -0.115 1.00 52.21 C ATOM 176 C LYS A 106 16.483 -11.607 0.433 1.00 51.31 C ATOM 177 O LYS A 106 16.483 -11.403 1.645 1.00 34.50 O ATOM 178 CB LYS A 106 15.267 -13.769 0.030 1.00 4.12 C ATOM 179 CG LYS A 106 14.092 -13.075 -0.638 1.00 34.04 C ATOM 180 CD LYS A 106 13.017 -14.062 -1.079 1.00 54.42 C ATOM 181 CE LYS A 106 12.172 -14.590 0.075 1.00 13.54 C ATOM 182 NZ LYS A 106 12.937 -15.444 1.024 1.00 25.24 N ATOM 0 H LYS A 106 17.752 -13.464 1.562 1.00 25.43 H new ATOM 0 HA LYS A 106 16.837 -12.968 -1.177 1.00 52.21 H new ATOM 0 HB2 LYS A 106 15.376 -14.767 -0.394 1.00 4.12 H new ATOM 0 HB3 LYS A 106 15.047 -13.896 1.090 1.00 4.12 H new ATOM 0 HG2 LYS A 106 13.658 -12.352 0.053 1.00 34.04 H new ATOM 0 HG3 LYS A 106 14.447 -12.515 -1.504 1.00 34.04 H new ATOM 0 HD2 LYS A 106 12.365 -13.577 -1.805 1.00 54.42 H new ATOM 0 HD3 LYS A 106 13.491 -14.902 -1.587 1.00 54.42 H new ATOM 0 HE2 LYS A 106 11.745 -13.747 0.619 1.00 13.54 H new ATOM 0 HE3 LYS A 106 11.338 -15.164 -0.328 1.00 13.54 H new ATOM 0 HZ1 LYS A 106 12.322 -16.202 1.382 1.00 25.24 H new ATOM 0 HZ2 LYS A 106 13.753 -15.863 0.534 1.00 25.24 H new ATOM 0 HZ3 LYS A 106 13.272 -14.864 1.820 1.00 25.24 H new ATOM 196 N ILE A 107 16.415 -10.631 -0.452 1.00 51.41 N ATOM 197 CA ILE A 107 16.335 -9.244 -0.028 1.00 15.35 C ATOM 198 C ILE A 107 14.918 -8.708 -0.175 1.00 60.55 C ATOM 199 O ILE A 107 14.085 -9.293 -0.869 1.00 44.10 O ATOM 200 CB ILE A 107 17.287 -8.346 -0.827 1.00 3.11 C ATOM 201 CG1 ILE A 107 16.837 -8.287 -2.278 1.00 41.24 C ATOM 202 CG2 ILE A 107 18.718 -8.856 -0.721 1.00 34.32 C ATOM 203 CD1 ILE A 107 17.337 -7.067 -2.988 1.00 60.12 C ATOM 0 H ILE A 107 16.413 -10.770 -1.463 1.00 51.41 H new ATOM 0 HA ILE A 107 16.629 -9.224 1.021 1.00 15.35 H new ATOM 0 HB ILE A 107 17.261 -7.339 -0.411 1.00 3.11 H new ATOM 0 HG12 ILE A 107 17.190 -9.177 -2.800 1.00 41.24 H new ATOM 0 HG13 ILE A 107 15.748 -8.305 -2.318 1.00 41.24 H new ATOM 0 HG21 ILE A 107 19.379 -8.206 -1.294 1.00 34.32 H new ATOM 0 HG22 ILE A 107 19.027 -8.857 0.324 1.00 34.32 H new ATOM 0 HG23 ILE A 107 18.773 -9.870 -1.117 1.00 34.32 H new ATOM 0 HD11 ILE A 107 16.986 -7.077 -4.020 1.00 60.12 H new ATOM 0 HD12 ILE A 107 16.963 -6.175 -2.486 1.00 60.12 H new ATOM 0 HD13 ILE A 107 18.427 -7.060 -2.976 1.00 60.12 H new ATOM 215 N PHE A 108 14.665 -7.588 0.477 1.00 1.12 N ATOM 216 CA PHE A 108 13.358 -6.955 0.465 1.00 73.34 C ATOM 217 C PHE A 108 13.436 -5.614 -0.247 1.00 5.12 C ATOM 218 O PHE A 108 14.107 -4.695 0.222 1.00 41.14 O ATOM 219 CB PHE A 108 12.859 -6.768 1.904 1.00 43.22 C ATOM 220 CG PHE A 108 11.622 -5.920 2.025 1.00 34.42 C ATOM 221 CD1 PHE A 108 10.390 -6.400 1.613 1.00 4.15 C ATOM 222 CD2 PHE A 108 11.693 -4.642 2.560 1.00 60.21 C ATOM 223 CE1 PHE A 108 9.254 -5.624 1.733 1.00 3.45 C ATOM 224 CE2 PHE A 108 10.561 -3.861 2.680 1.00 61.22 C ATOM 225 CZ PHE A 108 9.340 -4.351 2.267 1.00 71.31 C ATOM 0 H PHE A 108 15.362 -7.090 1.031 1.00 1.12 H new ATOM 0 HA PHE A 108 12.655 -7.593 -0.071 1.00 73.34 H new ATOM 0 HB2 PHE A 108 12.657 -7.748 2.336 1.00 43.22 H new ATOM 0 HB3 PHE A 108 13.655 -6.316 2.496 1.00 43.22 H new ATOM 0 HD1 PHE A 108 10.317 -7.392 1.193 1.00 4.15 H new ATOM 0 HD2 PHE A 108 12.646 -4.253 2.887 1.00 60.21 H new ATOM 0 HE1 PHE A 108 8.299 -6.011 1.410 1.00 3.45 H new ATOM 0 HE2 PHE A 108 10.632 -2.867 3.097 1.00 61.22 H new ATOM 0 HZ PHE A 108 8.453 -3.742 2.360 1.00 71.31 H new ATOM 235 N VAL A 109 12.773 -5.521 -1.387 1.00 31.41 N ATOM 236 CA VAL A 109 12.721 -4.280 -2.145 1.00 13.31 C ATOM 237 C VAL A 109 11.358 -3.619 -1.972 1.00 52.35 C ATOM 238 O VAL A 109 10.391 -3.987 -2.638 1.00 74.41 O ATOM 239 CB VAL A 109 12.981 -4.521 -3.649 1.00 43.34 C ATOM 240 CG1 VAL A 109 13.081 -3.201 -4.398 1.00 71.12 C ATOM 241 CG2 VAL A 109 14.238 -5.351 -3.853 1.00 74.45 C ATOM 0 H VAL A 109 12.260 -6.294 -1.811 1.00 31.41 H new ATOM 0 HA VAL A 109 13.504 -3.627 -1.760 1.00 13.31 H new ATOM 0 HB VAL A 109 12.136 -5.078 -4.053 1.00 43.34 H new ATOM 0 HG11 VAL A 109 13.264 -3.395 -5.455 1.00 71.12 H new ATOM 0 HG12 VAL A 109 12.148 -2.648 -4.287 1.00 71.12 H new ATOM 0 HG13 VAL A 109 13.902 -2.612 -3.990 1.00 71.12 H new ATOM 0 HG21 VAL A 109 14.401 -5.508 -4.919 1.00 74.45 H new ATOM 0 HG22 VAL A 109 15.094 -4.826 -3.428 1.00 74.45 H new ATOM 0 HG23 VAL A 109 14.122 -6.315 -3.358 1.00 74.45 H new ATOM 251 N GLY A 110 11.281 -2.655 -1.071 1.00 15.25 N ATOM 252 CA GLY A 110 10.016 -2.019 -0.777 1.00 45.34 C ATOM 253 C GLY A 110 9.944 -0.601 -1.299 1.00 11.23 C ATOM 254 O GLY A 110 10.932 0.135 -1.268 1.00 24.22 O ATOM 0 H GLY A 110 12.074 -2.300 -0.536 1.00 15.25 H new ATOM 0 HA2 GLY A 110 9.208 -2.605 -1.215 1.00 45.34 H new ATOM 0 HA3 GLY A 110 9.858 -2.014 0.301 1.00 45.34 H new ATOM 347 N GLU A 117 9.439 -4.429 -11.958 1.00 55.22 N ATOM 348 CA GLU A 117 8.993 -5.819 -11.960 1.00 25.33 C ATOM 349 C GLU A 117 10.200 -6.754 -11.831 1.00 21.41 C ATOM 350 O GLU A 117 11.309 -6.295 -11.552 1.00 14.30 O ATOM 351 CB GLU A 117 8.204 -6.130 -13.237 1.00 55.53 C ATOM 352 CG GLU A 117 9.057 -6.256 -14.486 1.00 24.53 C ATOM 353 CD GLU A 117 8.232 -6.616 -15.699 1.00 63.41 C ATOM 354 OE1 GLU A 117 8.082 -7.823 -15.982 1.00 33.51 O ATOM 355 OE2 GLU A 117 7.718 -5.698 -16.362 1.00 60.14 O ATOM 0 HA GLU A 117 8.333 -5.978 -11.107 1.00 25.33 H new ATOM 0 HB2 GLU A 117 7.654 -7.060 -13.092 1.00 55.53 H new ATOM 0 HB3 GLU A 117 7.466 -5.344 -13.394 1.00 55.53 H new ATOM 0 HG2 GLU A 117 9.577 -5.315 -14.667 1.00 24.53 H new ATOM 0 HG3 GLU A 117 9.821 -7.017 -14.328 1.00 24.53 H new ATOM 362 N GLU A 118 9.987 -8.055 -12.052 1.00 41.25 N ATOM 363 CA GLU A 118 11.031 -9.061 -11.854 1.00 11.23 C ATOM 364 C GLU A 118 12.302 -8.759 -12.648 1.00 54.54 C ATOM 365 O GLU A 118 13.400 -8.770 -12.084 1.00 70.41 O ATOM 366 CB GLU A 118 10.504 -10.462 -12.197 1.00 64.24 C ATOM 367 CG GLU A 118 11.594 -11.446 -12.603 1.00 32.21 C ATOM 368 CD GLU A 118 11.109 -12.878 -12.682 1.00 21.31 C ATOM 369 OE1 GLU A 118 9.880 -13.096 -12.748 1.00 71.45 O ATOM 370 OE2 GLU A 118 11.959 -13.793 -12.688 1.00 2.40 O ATOM 0 H GLU A 118 9.096 -8.436 -12.370 1.00 41.25 H new ATOM 0 HA GLU A 118 11.302 -9.028 -10.799 1.00 11.23 H new ATOM 0 HB2 GLU A 118 9.970 -10.861 -11.334 1.00 64.24 H new ATOM 0 HB3 GLU A 118 9.781 -10.380 -13.009 1.00 64.24 H new ATOM 0 HG2 GLU A 118 11.996 -11.152 -13.572 1.00 32.21 H new ATOM 0 HG3 GLU A 118 12.413 -11.386 -11.886 1.00 32.21 H new ATOM 377 N HIS A 119 12.164 -8.483 -13.943 1.00 74.10 N ATOM 378 CA HIS A 119 13.333 -8.255 -14.786 1.00 54.21 C ATOM 379 C HIS A 119 14.102 -7.020 -14.320 1.00 24.42 C ATOM 380 O HIS A 119 15.314 -6.925 -14.507 1.00 41.03 O ATOM 381 CB HIS A 119 12.940 -8.133 -16.271 1.00 74.55 C ATOM 382 CG HIS A 119 12.627 -6.741 -16.743 1.00 40.11 C ATOM 383 ND1 HIS A 119 13.567 -5.985 -17.402 1.00 72.34 N ATOM 384 CD2 HIS A 119 11.479 -6.034 -16.651 1.00 14.23 C ATOM 385 CE1 HIS A 119 12.972 -4.843 -17.695 1.00 31.24 C ATOM 386 NE2 HIS A 119 11.706 -4.829 -17.262 1.00 10.43 N ATOM 0 H HIS A 119 11.268 -8.413 -14.425 1.00 74.10 H new ATOM 0 HA HIS A 119 13.988 -9.121 -14.690 1.00 54.21 H new ATOM 0 HB2 HIS A 119 13.753 -8.530 -16.878 1.00 74.55 H new ATOM 0 HB3 HIS A 119 12.070 -8.764 -16.452 1.00 74.55 H new ATOM 0 HD1 HIS A 119 14.527 -6.251 -17.620 1.00 72.34 H new ATOM 0 HD2 HIS A 119 10.560 -6.357 -16.185 1.00 14.23 H new ATOM 0 HE1 HIS A 119 13.446 -4.025 -18.217 1.00 31.24 H new ATOM 394 N HIS A 120 13.393 -6.085 -13.697 1.00 11.53 N ATOM 395 CA HIS A 120 14.020 -4.876 -13.191 1.00 50.12 C ATOM 396 C HIS A 120 14.905 -5.199 -11.996 1.00 53.11 C ATOM 397 O HIS A 120 16.074 -4.819 -11.962 1.00 15.31 O ATOM 398 CB HIS A 120 12.976 -3.838 -12.791 1.00 12.42 C ATOM 399 CG HIS A 120 12.250 -3.244 -13.950 1.00 24.31 C ATOM 400 ND1 HIS A 120 10.904 -3.429 -14.116 1.00 3.00 N ATOM 401 CD2 HIS A 120 12.720 -2.467 -14.951 1.00 63.23 C ATOM 402 CE1 HIS A 120 10.581 -2.763 -15.207 1.00 31.01 C ATOM 403 NE2 HIS A 120 11.648 -2.164 -15.748 1.00 70.33 N ATOM 0 H HIS A 120 12.388 -6.143 -13.532 1.00 11.53 H new ATOM 0 HA HIS A 120 14.632 -4.459 -13.991 1.00 50.12 H new ATOM 0 HB2 HIS A 120 12.253 -4.302 -12.119 1.00 12.42 H new ATOM 0 HB3 HIS A 120 13.465 -3.040 -12.232 1.00 12.42 H new ATOM 0 HD1 HIS A 120 10.279 -3.971 -13.519 1.00 3.00 H new ATOM 0 HD2 HIS A 120 13.742 -2.147 -15.094 1.00 63.23 H new ATOM 0 HE1 HIS A 120 9.582 -2.708 -15.613 1.00 31.01 H new ATOM 411 N LEU A 121 14.339 -5.908 -11.016 1.00 3.51 N ATOM 412 CA LEU A 121 15.100 -6.313 -9.838 1.00 53.23 C ATOM 413 C LEU A 121 16.298 -7.154 -10.248 1.00 13.23 C ATOM 414 O LEU A 121 17.426 -6.891 -9.837 1.00 2.21 O ATOM 415 CB LEU A 121 14.243 -7.117 -8.845 1.00 15.44 C ATOM 416 CG LEU A 121 13.252 -6.325 -7.977 1.00 44.13 C ATOM 417 CD1 LEU A 121 13.682 -4.877 -7.828 1.00 13.13 C ATOM 418 CD2 LEU A 121 11.840 -6.420 -8.533 1.00 51.02 C ATOM 0 H LEU A 121 13.365 -6.210 -11.017 1.00 3.51 H new ATOM 0 HA LEU A 121 15.432 -5.400 -9.345 1.00 53.23 H new ATOM 0 HB2 LEU A 121 13.680 -7.861 -9.409 1.00 15.44 H new ATOM 0 HB3 LEU A 121 14.915 -7.661 -8.181 1.00 15.44 H new ATOM 0 HG LEU A 121 13.253 -6.774 -6.984 1.00 44.13 H new ATOM 0 HD11 LEU A 121 12.960 -4.345 -7.209 1.00 13.13 H new ATOM 0 HD12 LEU A 121 14.664 -4.836 -7.357 1.00 13.13 H new ATOM 0 HD13 LEU A 121 13.731 -4.409 -8.811 1.00 13.13 H new ATOM 0 HD21 LEU A 121 11.160 -5.851 -7.899 1.00 51.02 H new ATOM 0 HD22 LEU A 121 11.819 -6.014 -9.544 1.00 51.02 H new ATOM 0 HD23 LEU A 121 11.527 -7.464 -8.555 1.00 51.02 H new ATOM 430 N ARG A 122 16.043 -8.150 -11.083 1.00 4.13 N ATOM 431 CA ARG A 122 17.077 -9.080 -11.505 1.00 63.12 C ATOM 432 C ARG A 122 18.229 -8.365 -12.199 1.00 45.23 C ATOM 433 O ARG A 122 19.371 -8.511 -11.790 1.00 30.30 O ATOM 434 CB ARG A 122 16.485 -10.142 -12.430 1.00 64.22 C ATOM 435 CG ARG A 122 17.526 -11.056 -13.058 1.00 52.24 C ATOM 436 CD ARG A 122 17.471 -12.452 -12.465 1.00 71.25 C ATOM 437 NE ARG A 122 16.133 -13.037 -12.558 1.00 50.05 N ATOM 438 CZ ARG A 122 15.839 -14.288 -12.204 1.00 11.23 C ATOM 439 NH1 ARG A 122 16.804 -15.118 -11.816 1.00 54.15 N ATOM 440 NH2 ARG A 122 14.584 -14.719 -12.257 1.00 61.24 N ATOM 0 H ARG A 122 15.123 -8.335 -11.483 1.00 4.13 H new ATOM 0 HA ARG A 122 17.474 -9.560 -10.611 1.00 63.12 H new ATOM 0 HB2 ARG A 122 15.776 -10.748 -11.866 1.00 64.22 H new ATOM 0 HB3 ARG A 122 15.923 -9.648 -13.223 1.00 64.22 H new ATOM 0 HG2 ARG A 122 17.362 -11.110 -14.134 1.00 52.24 H new ATOM 0 HG3 ARG A 122 18.520 -10.635 -12.908 1.00 52.24 H new ATOM 0 HD2 ARG A 122 18.184 -13.094 -12.983 1.00 71.25 H new ATOM 0 HD3 ARG A 122 17.778 -12.414 -11.420 1.00 71.25 H new ATOM 0 HE ARG A 122 15.379 -12.451 -12.916 1.00 50.05 H new ATOM 0 HH11 ARG A 122 17.772 -14.798 -11.789 1.00 54.15 H new ATOM 0 HH12 ARG A 122 16.576 -16.075 -11.546 1.00 54.15 H new ATOM 0 HH21 ARG A 122 13.842 -14.092 -12.569 1.00 61.24 H new ATOM 0 HH22 ARG A 122 14.362 -15.677 -11.986 1.00 61.24 H new ATOM 454 N ASP A 123 17.928 -7.573 -13.221 1.00 64.03 N ATOM 455 CA ASP A 123 18.975 -6.915 -14.009 1.00 0.34 C ATOM 456 C ASP A 123 19.835 -6.002 -13.150 1.00 1.32 C ATOM 457 O ASP A 123 21.016 -5.797 -13.435 1.00 42.11 O ATOM 458 CB ASP A 123 18.376 -6.115 -15.163 1.00 72.30 C ATOM 459 CG ASP A 123 18.021 -6.984 -16.349 1.00 5.10 C ATOM 460 OD1 ASP A 123 17.597 -6.432 -17.386 1.00 73.34 O ATOM 461 OD2 ASP A 123 18.172 -8.222 -16.260 1.00 42.35 O ATOM 0 H ASP A 123 16.976 -7.369 -13.526 1.00 64.03 H new ATOM 0 HA ASP A 123 19.607 -7.705 -14.414 1.00 0.34 H new ATOM 0 HB2 ASP A 123 17.482 -5.597 -14.816 1.00 72.30 H new ATOM 0 HB3 ASP A 123 19.086 -5.350 -15.477 1.00 72.30 H new ATOM 466 N TYR A 124 19.250 -5.461 -12.096 1.00 11.51 N ATOM 467 CA TYR A 124 19.979 -4.582 -11.204 1.00 25.32 C ATOM 468 C TYR A 124 20.778 -5.384 -10.179 1.00 51.51 C ATOM 469 O TYR A 124 21.943 -5.088 -9.918 1.00 41.23 O ATOM 470 CB TYR A 124 19.020 -3.620 -10.496 1.00 64.51 C ATOM 471 CG TYR A 124 19.710 -2.687 -9.527 1.00 35.33 C ATOM 472 CD1 TYR A 124 19.625 -2.897 -8.158 1.00 72.34 C ATOM 473 CD2 TYR A 124 20.453 -1.605 -9.980 1.00 40.01 C ATOM 474 CE1 TYR A 124 20.262 -2.057 -7.268 1.00 22.11 C ATOM 475 CE2 TYR A 124 21.091 -0.759 -9.095 1.00 61.55 C ATOM 476 CZ TYR A 124 20.993 -0.989 -7.739 1.00 61.41 C ATOM 477 OH TYR A 124 21.634 -0.153 -6.851 1.00 51.41 O ATOM 0 H TYR A 124 18.275 -5.615 -11.839 1.00 11.51 H new ATOM 0 HA TYR A 124 20.679 -4.000 -11.803 1.00 25.32 H new ATOM 0 HB2 TYR A 124 18.492 -3.029 -11.244 1.00 64.51 H new ATOM 0 HB3 TYR A 124 18.268 -4.198 -9.959 1.00 64.51 H new ATOM 0 HD1 TYR A 124 19.051 -3.731 -7.783 1.00 72.34 H new ATOM 0 HD2 TYR A 124 20.533 -1.422 -11.041 1.00 40.01 H new ATOM 0 HE1 TYR A 124 20.188 -2.236 -6.206 1.00 22.11 H new ATOM 0 HE2 TYR A 124 21.664 0.079 -9.463 1.00 61.55 H new ATOM 0 HH TYR A 124 21.470 -0.461 -5.935 1.00 51.41 H new ATOM 487 N PHE A 125 20.166 -6.413 -9.618 1.00 4.23 N ATOM 488 CA PHE A 125 20.784 -7.157 -8.528 1.00 44.34 C ATOM 489 C PHE A 125 21.695 -8.281 -9.022 1.00 4.22 C ATOM 490 O PHE A 125 22.508 -8.802 -8.258 1.00 74.23 O ATOM 491 CB PHE A 125 19.709 -7.699 -7.588 1.00 52.31 C ATOM 492 CG PHE A 125 19.041 -6.616 -6.788 1.00 30.12 C ATOM 493 CD1 PHE A 125 17.679 -6.395 -6.890 1.00 43.21 C ATOM 494 CD2 PHE A 125 19.785 -5.803 -5.949 1.00 12.04 C ATOM 495 CE1 PHE A 125 17.070 -5.384 -6.172 1.00 73.43 C ATOM 496 CE2 PHE A 125 19.182 -4.793 -5.225 1.00 31.00 C ATOM 497 CZ PHE A 125 17.823 -4.582 -5.338 1.00 22.35 C ATOM 0 H PHE A 125 19.245 -6.753 -9.896 1.00 4.23 H new ATOM 0 HA PHE A 125 21.422 -6.462 -7.982 1.00 44.34 H new ATOM 0 HB2 PHE A 125 18.957 -8.231 -8.171 1.00 52.31 H new ATOM 0 HB3 PHE A 125 20.158 -8.423 -6.908 1.00 52.31 H new ATOM 0 HD1 PHE A 125 17.084 -7.021 -7.539 1.00 43.21 H new ATOM 0 HD2 PHE A 125 20.850 -5.961 -5.860 1.00 12.04 H new ATOM 0 HE1 PHE A 125 16.006 -5.221 -6.263 1.00 73.43 H new ATOM 0 HE2 PHE A 125 19.773 -4.169 -4.571 1.00 31.00 H new ATOM 0 HZ PHE A 125 17.349 -3.791 -4.775 1.00 22.35 H new ATOM 507 N GLU A 126 21.579 -8.648 -10.294 1.00 72.42 N ATOM 508 CA GLU A 126 22.439 -9.689 -10.860 1.00 33.23 C ATOM 509 C GLU A 126 23.891 -9.226 -10.892 1.00 70.34 C ATOM 510 O GLU A 126 24.816 -10.037 -10.924 1.00 52.43 O ATOM 511 CB GLU A 126 21.962 -10.099 -12.259 1.00 62.14 C ATOM 512 CG GLU A 126 21.981 -8.986 -13.297 1.00 40.11 C ATOM 513 CD GLU A 126 23.154 -9.095 -14.248 1.00 72.04 C ATOM 514 OE1 GLU A 126 24.251 -8.605 -13.915 1.00 25.12 O ATOM 515 OE2 GLU A 126 22.983 -9.679 -15.339 1.00 45.33 O ATOM 0 H GLU A 126 20.907 -8.247 -10.949 1.00 72.42 H new ATOM 0 HA GLU A 126 22.375 -10.567 -10.218 1.00 33.23 H new ATOM 0 HB2 GLU A 126 22.588 -10.918 -12.614 1.00 62.14 H new ATOM 0 HB3 GLU A 126 20.946 -10.485 -12.181 1.00 62.14 H new ATOM 0 HG2 GLU A 126 21.052 -9.011 -13.867 1.00 40.11 H new ATOM 0 HG3 GLU A 126 22.018 -8.022 -12.790 1.00 40.11 H new ATOM 522 N GLN A 127 24.078 -7.914 -10.867 1.00 14.05 N ATOM 523 CA GLN A 127 25.408 -7.325 -10.797 1.00 31.15 C ATOM 524 C GLN A 127 26.060 -7.663 -9.463 1.00 31.13 C ATOM 525 O GLN A 127 27.279 -7.804 -9.370 1.00 11.22 O ATOM 526 CB GLN A 127 25.321 -5.807 -10.945 1.00 64.44 C ATOM 527 CG GLN A 127 24.601 -5.355 -12.201 1.00 53.34 C ATOM 528 CD GLN A 127 24.349 -3.863 -12.214 1.00 4.54 C ATOM 529 OE1 GLN A 127 25.147 -3.083 -12.730 1.00 21.23 O ATOM 530 NE2 GLN A 127 23.248 -3.457 -11.610 1.00 60.11 N ATOM 0 H GLN A 127 23.319 -7.233 -10.894 1.00 14.05 H new ATOM 0 HA GLN A 127 26.010 -7.733 -11.609 1.00 31.15 H new ATOM 0 HB2 GLN A 127 24.809 -5.395 -10.076 1.00 64.44 H new ATOM 0 HB3 GLN A 127 26.329 -5.393 -10.946 1.00 64.44 H new ATOM 0 HG2 GLN A 127 25.193 -5.629 -13.075 1.00 53.34 H new ATOM 0 HG3 GLN A 127 23.650 -5.882 -12.282 1.00 53.34 H new ATOM 0 HE21 GLN A 127 22.613 -4.139 -11.195 1.00 60.11 H new ATOM 0 HE22 GLN A 127 23.032 -2.461 -11.558 1.00 60.11 H new ATOM 539 N TYR A 128 25.228 -7.802 -8.440 1.00 41.52 N ATOM 540 CA TYR A 128 25.701 -8.051 -7.086 1.00 40.04 C ATOM 541 C TYR A 128 26.038 -9.524 -6.877 1.00 55.00 C ATOM 542 O TYR A 128 26.876 -9.862 -6.041 1.00 44.31 O ATOM 543 CB TYR A 128 24.650 -7.603 -6.066 1.00 62.24 C ATOM 544 CG TYR A 128 24.392 -6.111 -6.065 1.00 24.13 C ATOM 545 CD1 TYR A 128 24.948 -5.295 -5.089 1.00 45.31 C ATOM 546 CD2 TYR A 128 23.589 -5.518 -7.034 1.00 23.23 C ATOM 547 CE1 TYR A 128 24.712 -3.932 -5.077 1.00 42.10 C ATOM 548 CE2 TYR A 128 23.349 -4.157 -7.030 1.00 2.44 C ATOM 549 CZ TYR A 128 23.913 -3.368 -6.049 1.00 43.13 C ATOM 550 OH TYR A 128 23.676 -2.011 -6.039 1.00 51.41 O ATOM 0 H TYR A 128 24.213 -7.746 -8.524 1.00 41.52 H new ATOM 0 HA TYR A 128 26.613 -7.472 -6.939 1.00 40.04 H new ATOM 0 HB2 TYR A 128 23.714 -8.123 -6.271 1.00 62.24 H new ATOM 0 HB3 TYR A 128 24.972 -7.907 -5.070 1.00 62.24 H new ATOM 0 HD1 TYR A 128 25.575 -5.732 -4.326 1.00 45.31 H new ATOM 0 HD2 TYR A 128 23.145 -6.132 -7.803 1.00 23.23 H new ATOM 0 HE1 TYR A 128 25.152 -3.312 -4.310 1.00 42.10 H new ATOM 0 HE2 TYR A 128 22.723 -3.714 -7.791 1.00 2.44 H new ATOM 0 HH TYR A 128 22.832 -1.823 -6.500 1.00 51.41 H new ATOM 560 N GLY A 129 25.382 -10.401 -7.624 1.00 42.03 N ATOM 561 CA GLY A 129 25.677 -11.817 -7.521 1.00 74.31 C ATOM 562 C GLY A 129 24.706 -12.673 -8.301 1.00 63.31 C ATOM 563 O GLY A 129 23.939 -12.162 -9.120 1.00 4.14 O ATOM 0 H GLY A 129 24.654 -10.160 -8.297 1.00 42.03 H new ATOM 0 HA2 GLY A 129 26.689 -12.000 -7.883 1.00 74.31 H new ATOM 0 HA3 GLY A 129 25.655 -12.113 -6.472 1.00 74.31 H new ATOM 567 N LYS A 130 24.734 -13.977 -8.048 1.00 11.41 N ATOM 568 CA LYS A 130 23.858 -14.908 -8.731 1.00 15.12 C ATOM 569 C LYS A 130 22.472 -14.910 -8.105 1.00 24.02 C ATOM 570 O LYS A 130 22.304 -15.206 -6.917 1.00 23.30 O ATOM 571 CB LYS A 130 24.454 -16.316 -8.705 1.00 74.13 C ATOM 572 CG LYS A 130 23.439 -17.398 -9.009 1.00 4.23 C ATOM 573 CD LYS A 130 24.086 -18.753 -9.215 1.00 20.10 C ATOM 574 CE LYS A 130 23.027 -19.811 -9.441 1.00 64.25 C ATOM 575 NZ LYS A 130 23.610 -21.150 -9.718 1.00 30.22 N ATOM 0 H LYS A 130 25.360 -14.410 -7.369 1.00 11.41 H new ATOM 0 HA LYS A 130 23.763 -14.586 -9.768 1.00 15.12 H new ATOM 0 HB2 LYS A 130 25.266 -16.374 -9.430 1.00 74.13 H new ATOM 0 HB3 LYS A 130 24.890 -16.501 -7.723 1.00 74.13 H new ATOM 0 HG2 LYS A 130 22.722 -17.461 -8.190 1.00 4.23 H new ATOM 0 HG3 LYS A 130 22.878 -17.126 -9.903 1.00 4.23 H new ATOM 0 HD2 LYS A 130 24.761 -18.715 -10.070 1.00 20.10 H new ATOM 0 HD3 LYS A 130 24.689 -19.012 -8.345 1.00 20.10 H new ATOM 0 HE2 LYS A 130 22.386 -19.872 -8.562 1.00 64.25 H new ATOM 0 HE3 LYS A 130 22.394 -19.514 -10.277 1.00 64.25 H new ATOM 0 HZ1 LYS A 130 22.844 -21.838 -9.865 1.00 30.22 H new ATOM 0 HZ2 LYS A 130 24.201 -21.101 -10.572 1.00 30.22 H new ATOM 0 HZ3 LYS A 130 24.193 -21.449 -8.910 1.00 30.22 H new ATOM 589 N ILE A 131 21.484 -14.580 -8.914 1.00 42.04 N ATOM 590 CA ILE A 131 20.112 -14.548 -8.459 1.00 4.41 C ATOM 591 C ILE A 131 19.426 -15.879 -8.734 1.00 34.44 C ATOM 592 O ILE A 131 19.666 -16.513 -9.761 1.00 53.11 O ATOM 593 CB ILE A 131 19.327 -13.419 -9.150 1.00 70.43 C ATOM 594 CG1 ILE A 131 20.043 -12.086 -8.949 1.00 41.12 C ATOM 595 CG2 ILE A 131 17.903 -13.348 -8.617 1.00 70.02 C ATOM 596 CD1 ILE A 131 19.317 -10.916 -9.565 1.00 13.40 C ATOM 0 H ILE A 131 21.610 -14.329 -9.895 1.00 42.04 H new ATOM 0 HA ILE A 131 20.125 -14.363 -7.385 1.00 4.41 H new ATOM 0 HB ILE A 131 19.277 -13.633 -10.218 1.00 70.43 H new ATOM 0 HG12 ILE A 131 20.166 -11.906 -7.881 1.00 41.12 H new ATOM 0 HG13 ILE A 131 21.043 -12.151 -9.379 1.00 41.12 H new ATOM 0 HG21 ILE A 131 17.366 -12.543 -9.119 1.00 70.02 H new ATOM 0 HG22 ILE A 131 17.396 -14.295 -8.805 1.00 70.02 H new ATOM 0 HG23 ILE A 131 17.925 -13.155 -7.544 1.00 70.02 H new ATOM 0 HD11 ILE A 131 19.882 -10.001 -9.384 1.00 13.40 H new ATOM 0 HD12 ILE A 131 19.217 -11.074 -10.639 1.00 13.40 H new ATOM 0 HD13 ILE A 131 18.327 -10.826 -9.118 1.00 13.40 H new ATOM 608 N GLU A 132 18.598 -16.301 -7.796 1.00 54.33 N ATOM 609 CA GLU A 132 17.782 -17.490 -7.962 1.00 1.42 C ATOM 610 C GLU A 132 16.476 -17.146 -8.681 1.00 62.34 C ATOM 611 O GLU A 132 16.293 -17.481 -9.852 1.00 3.41 O ATOM 612 CB GLU A 132 17.500 -18.107 -6.592 1.00 3.25 C ATOM 613 CG GLU A 132 18.648 -18.945 -6.064 1.00 70.11 C ATOM 614 CD GLU A 132 18.598 -20.367 -6.568 1.00 34.02 C ATOM 615 OE1 GLU A 132 18.053 -21.232 -5.852 1.00 12.40 O ATOM 616 OE2 GLU A 132 19.089 -20.630 -7.683 1.00 13.11 O ATOM 0 H GLU A 132 18.472 -15.831 -6.900 1.00 54.33 H new ATOM 0 HA GLU A 132 18.320 -18.214 -8.573 1.00 1.42 H new ATOM 0 HB2 GLU A 132 17.283 -17.310 -5.880 1.00 3.25 H new ATOM 0 HB3 GLU A 132 16.606 -18.728 -6.658 1.00 3.25 H new ATOM 0 HG2 GLU A 132 19.593 -18.490 -6.360 1.00 70.11 H new ATOM 0 HG3 GLU A 132 18.622 -18.947 -4.974 1.00 70.11 H new ATOM 623 N VAL A 133 15.586 -16.445 -7.986 1.00 51.33 N ATOM 624 CA VAL A 133 14.286 -16.070 -8.540 1.00 1.31 C ATOM 625 C VAL A 133 13.877 -14.682 -8.060 1.00 61.44 C ATOM 626 O VAL A 133 14.412 -14.181 -7.070 1.00 55.44 O ATOM 627 CB VAL A 133 13.176 -17.076 -8.150 1.00 55.12 C ATOM 628 CG1 VAL A 133 13.430 -18.440 -8.770 1.00 31.00 C ATOM 629 CG2 VAL A 133 13.053 -17.193 -6.638 1.00 0.11 C ATOM 0 H VAL A 133 15.741 -16.122 -7.031 1.00 51.33 H new ATOM 0 HA VAL A 133 14.396 -16.075 -9.624 1.00 1.31 H new ATOM 0 HB VAL A 133 12.233 -16.695 -8.542 1.00 55.12 H new ATOM 0 HG11 VAL A 133 12.634 -19.126 -8.479 1.00 31.00 H new ATOM 0 HG12 VAL A 133 13.450 -18.348 -9.856 1.00 31.00 H new ATOM 0 HG13 VAL A 133 14.388 -18.826 -8.421 1.00 31.00 H new ATOM 0 HG21 VAL A 133 12.266 -17.906 -6.391 1.00 0.11 H new ATOM 0 HG22 VAL A 133 13.999 -17.538 -6.222 1.00 0.11 H new ATOM 0 HG23 VAL A 133 12.805 -16.219 -6.217 1.00 0.11 H new ATOM 639 N ILE A 134 12.940 -14.059 -8.766 1.00 42.24 N ATOM 640 CA ILE A 134 12.419 -12.761 -8.359 1.00 15.25 C ATOM 641 C ILE A 134 10.942 -12.868 -8.026 1.00 63.32 C ATOM 642 O ILE A 134 10.153 -13.395 -8.810 1.00 34.14 O ATOM 643 CB ILE A 134 12.594 -11.679 -9.450 1.00 14.21 C ATOM 644 CG1 ILE A 134 14.003 -11.709 -10.044 1.00 52.25 C ATOM 645 CG2 ILE A 134 12.304 -10.302 -8.868 1.00 55.02 C ATOM 646 CD1 ILE A 134 15.088 -11.373 -9.056 1.00 34.22 C ATOM 0 H ILE A 134 12.527 -14.431 -9.621 1.00 42.24 H new ATOM 0 HA ILE A 134 12.994 -12.461 -7.483 1.00 15.25 H new ATOM 0 HB ILE A 134 11.886 -11.891 -10.251 1.00 14.21 H new ATOM 0 HG12 ILE A 134 14.193 -12.701 -10.454 1.00 52.25 H new ATOM 0 HG13 ILE A 134 14.051 -11.006 -10.875 1.00 52.25 H new ATOM 0 HG21 ILE A 134 12.430 -9.546 -9.643 1.00 55.02 H new ATOM 0 HG22 ILE A 134 11.280 -10.273 -8.495 1.00 55.02 H new ATOM 0 HG23 ILE A 134 12.994 -10.100 -8.049 1.00 55.02 H new ATOM 0 HD11 ILE A 134 16.058 -11.415 -9.552 1.00 34.22 H new ATOM 0 HD12 ILE A 134 14.925 -10.369 -8.664 1.00 34.22 H new ATOM 0 HD13 ILE A 134 15.068 -12.091 -8.236 1.00 34.22 H new ATOM 658 N GLU A 135 10.578 -12.371 -6.861 1.00 61.32 N ATOM 659 CA GLU A 135 9.195 -12.346 -6.434 1.00 43.43 C ATOM 660 C GLU A 135 8.725 -10.907 -6.301 1.00 14.03 C ATOM 661 O GLU A 135 9.230 -10.161 -5.475 1.00 74.22 O ATOM 662 CB GLU A 135 9.046 -13.082 -5.105 1.00 35.11 C ATOM 663 CG GLU A 135 9.292 -14.573 -5.217 1.00 75.53 C ATOM 664 CD GLU A 135 8.239 -15.266 -6.056 1.00 21.11 C ATOM 665 OE1 GLU A 135 7.061 -15.290 -5.636 1.00 44.25 O ATOM 666 OE2 GLU A 135 8.575 -15.795 -7.136 1.00 75.42 O ATOM 0 H GLU A 135 11.231 -11.974 -6.186 1.00 61.32 H new ATOM 0 HA GLU A 135 8.579 -12.849 -7.179 1.00 43.43 H new ATOM 0 HB2 GLU A 135 9.744 -12.659 -4.382 1.00 35.11 H new ATOM 0 HB3 GLU A 135 8.042 -12.914 -4.715 1.00 35.11 H new ATOM 0 HG2 GLU A 135 10.275 -14.745 -5.656 1.00 75.53 H new ATOM 0 HG3 GLU A 135 9.307 -15.013 -4.220 1.00 75.53 H new ATOM 673 N ILE A 136 7.773 -10.516 -7.127 1.00 13.44 N ATOM 674 CA ILE A 136 7.282 -9.143 -7.124 1.00 75.11 C ATOM 675 C ILE A 136 6.215 -8.963 -6.048 1.00 15.33 C ATOM 676 O ILE A 136 5.825 -7.841 -5.721 1.00 44.52 O ATOM 677 CB ILE A 136 6.686 -8.761 -8.497 1.00 74.05 C ATOM 678 CG1 ILE A 136 7.612 -9.218 -9.625 1.00 4.23 C ATOM 679 CG2 ILE A 136 6.461 -7.257 -8.581 1.00 23.03 C ATOM 680 CD1 ILE A 136 6.998 -9.078 -11.002 1.00 13.32 C ATOM 0 H ILE A 136 7.322 -11.126 -7.809 1.00 13.44 H new ATOM 0 HA ILE A 136 8.129 -8.490 -6.914 1.00 75.11 H new ATOM 0 HB ILE A 136 5.725 -9.264 -8.606 1.00 74.05 H new ATOM 0 HG12 ILE A 136 8.534 -8.638 -9.586 1.00 4.23 H new ATOM 0 HG13 ILE A 136 7.885 -10.261 -9.461 1.00 4.23 H new ATOM 0 HG21 ILE A 136 6.041 -7.006 -9.555 1.00 23.03 H new ATOM 0 HG22 ILE A 136 5.770 -6.948 -7.797 1.00 23.03 H new ATOM 0 HG23 ILE A 136 7.411 -6.739 -8.451 1.00 23.03 H new ATOM 0 HD11 ILE A 136 7.709 -9.420 -11.754 1.00 13.32 H new ATOM 0 HD12 ILE A 136 6.091 -9.680 -11.059 1.00 13.32 H new ATOM 0 HD13 ILE A 136 6.751 -8.032 -11.186 1.00 13.32 H new ATOM 692 N MET A 137 5.763 -10.087 -5.498 1.00 11.13 N ATOM 693 CA MET A 137 4.659 -10.109 -4.551 1.00 42.35 C ATOM 694 C MET A 137 3.439 -9.429 -5.152 1.00 13.52 C ATOM 695 O MET A 137 3.061 -8.308 -4.790 1.00 22.43 O ATOM 696 CB MET A 137 5.043 -9.492 -3.199 1.00 4.35 C ATOM 697 CG MET A 137 3.894 -9.430 -2.197 1.00 31.41 C ATOM 698 SD MET A 137 2.892 -10.932 -2.157 1.00 20.11 S ATOM 699 CE MET A 137 4.132 -12.176 -1.813 1.00 64.31 C ATOM 0 H MET A 137 6.154 -11.007 -5.699 1.00 11.13 H new ATOM 0 HA MET A 137 4.410 -11.151 -4.352 1.00 42.35 H new ATOM 0 HB2 MET A 137 5.859 -10.071 -2.766 1.00 4.35 H new ATOM 0 HB3 MET A 137 5.421 -8.483 -3.366 1.00 4.35 H new ATOM 0 HG2 MET A 137 4.299 -9.247 -1.202 1.00 31.41 H new ATOM 0 HG3 MET A 137 3.254 -8.582 -2.442 1.00 31.41 H new ATOM 0 HE1 MET A 137 3.750 -12.874 -1.068 1.00 64.31 H new ATOM 0 HE2 MET A 137 4.369 -12.717 -2.729 1.00 64.31 H new ATOM 0 HE3 MET A 137 5.033 -11.696 -1.432 1.00 64.31 H new ATOM 859 N PHE A 148 5.871 -4.114 -2.816 1.00 14.53 N ATOM 860 CA PHE A 148 7.136 -4.578 -2.272 1.00 73.15 C ATOM 861 C PHE A 148 7.505 -5.913 -2.892 1.00 22.11 C ATOM 862 O PHE A 148 6.655 -6.788 -3.048 1.00 42.21 O ATOM 863 CB PHE A 148 7.098 -4.661 -0.737 1.00 43.22 C ATOM 864 CG PHE A 148 5.973 -5.485 -0.161 1.00 13.22 C ATOM 865 CD1 PHE A 148 6.096 -6.860 -0.023 1.00 24.30 C ATOM 866 CD2 PHE A 148 4.802 -4.878 0.261 1.00 51.30 C ATOM 867 CE1 PHE A 148 5.072 -7.611 0.522 1.00 4.44 C ATOM 868 CE2 PHE A 148 3.774 -5.626 0.805 1.00 42.00 C ATOM 869 CZ PHE A 148 3.911 -6.994 0.936 1.00 63.50 C ATOM 0 HA PHE A 148 7.907 -3.851 -2.527 1.00 73.15 H new ATOM 0 HB2 PHE A 148 8.044 -5.075 -0.389 1.00 43.22 H new ATOM 0 HB3 PHE A 148 7.027 -3.650 -0.337 1.00 43.22 H new ATOM 0 HD1 PHE A 148 7.003 -7.349 -0.345 1.00 24.30 H new ATOM 0 HD2 PHE A 148 4.690 -3.808 0.164 1.00 51.30 H new ATOM 0 HE1 PHE A 148 5.181 -8.681 0.623 1.00 4.44 H new ATOM 0 HE2 PHE A 148 2.865 -5.141 1.127 1.00 42.00 H new ATOM 0 HZ PHE A 148 3.110 -7.579 1.362 1.00 63.50 H new ATOM 879 N ALA A 149 8.761 -6.052 -3.272 1.00 60.11 N ATOM 880 CA ALA A 149 9.223 -7.248 -3.948 1.00 72.14 C ATOM 881 C ALA A 149 10.348 -7.913 -3.173 1.00 23.10 C ATOM 882 O ALA A 149 10.899 -7.341 -2.231 1.00 15.04 O ATOM 883 CB ALA A 149 9.676 -6.920 -5.363 1.00 71.14 C ATOM 0 H ALA A 149 9.483 -5.347 -3.123 1.00 60.11 H new ATOM 0 HA ALA A 149 8.389 -7.947 -4.002 1.00 72.14 H new ATOM 0 HB1 ALA A 149 10.019 -7.830 -5.855 1.00 71.14 H new ATOM 0 HB2 ALA A 149 8.842 -6.497 -5.923 1.00 71.14 H new ATOM 0 HB3 ALA A 149 10.491 -6.198 -5.326 1.00 71.14 H new ATOM 889 N PHE A 150 10.689 -9.117 -3.587 1.00 3.30 N ATOM 890 CA PHE A 150 11.715 -9.904 -2.932 1.00 60.31 C ATOM 891 C PHE A 150 12.623 -10.530 -3.979 1.00 15.33 C ATOM 892 O PHE A 150 12.151 -11.153 -4.931 1.00 63.01 O ATOM 893 CB PHE A 150 11.091 -11.013 -2.074 1.00 12.30 C ATOM 894 CG PHE A 150 10.051 -10.534 -1.103 1.00 1.23 C ATOM 895 CD1 PHE A 150 8.705 -10.603 -1.424 1.00 44.52 C ATOM 896 CD2 PHE A 150 10.417 -10.019 0.130 1.00 72.41 C ATOM 897 CE1 PHE A 150 7.744 -10.165 -0.535 1.00 5.40 C ATOM 898 CE2 PHE A 150 9.459 -9.581 1.023 1.00 62.03 C ATOM 899 CZ PHE A 150 8.122 -9.654 0.690 1.00 74.41 C ATOM 0 H PHE A 150 10.261 -9.579 -4.390 1.00 3.30 H new ATOM 0 HA PHE A 150 12.292 -9.245 -2.284 1.00 60.31 H new ATOM 0 HB2 PHE A 150 10.641 -11.756 -2.733 1.00 12.30 H new ATOM 0 HB3 PHE A 150 11.883 -11.517 -1.520 1.00 12.30 H new ATOM 0 HD1 PHE A 150 8.404 -11.004 -2.381 1.00 44.52 H new ATOM 0 HD2 PHE A 150 11.462 -9.959 0.395 1.00 72.41 H new ATOM 0 HE1 PHE A 150 6.698 -10.222 -0.798 1.00 5.40 H new ATOM 0 HE2 PHE A 150 9.756 -9.182 1.981 1.00 62.03 H new ATOM 0 HZ PHE A 150 7.372 -9.312 1.387 1.00 74.41 H new ATOM 909 N VAL A 151 13.917 -10.353 -3.816 1.00 24.22 N ATOM 910 CA VAL A 151 14.879 -10.927 -4.741 1.00 24.11 C ATOM 911 C VAL A 151 15.623 -12.069 -4.066 1.00 73.22 C ATOM 912 O VAL A 151 16.402 -11.846 -3.137 1.00 11.35 O ATOM 913 CB VAL A 151 15.884 -9.869 -5.241 1.00 1.33 C ATOM 914 CG1 VAL A 151 16.788 -10.443 -6.321 1.00 63.01 C ATOM 915 CG2 VAL A 151 15.154 -8.638 -5.755 1.00 53.42 C ATOM 0 H VAL A 151 14.330 -9.817 -3.053 1.00 24.22 H new ATOM 0 HA VAL A 151 14.332 -11.304 -5.605 1.00 24.11 H new ATOM 0 HB VAL A 151 16.509 -9.574 -4.398 1.00 1.33 H new ATOM 0 HG11 VAL A 151 17.487 -9.676 -6.656 1.00 63.01 H new ATOM 0 HG12 VAL A 151 17.344 -11.290 -5.918 1.00 63.01 H new ATOM 0 HG13 VAL A 151 16.182 -10.775 -7.164 1.00 63.01 H new ATOM 0 HG21 VAL A 151 15.880 -7.903 -6.103 1.00 53.42 H new ATOM 0 HG22 VAL A 151 14.500 -8.921 -6.580 1.00 53.42 H new ATOM 0 HG23 VAL A 151 14.558 -8.206 -4.951 1.00 53.42 H new ATOM 925 N THR A 152 15.356 -13.288 -4.506 1.00 44.52 N ATOM 926 CA THR A 152 16.000 -14.459 -3.941 1.00 64.33 C ATOM 927 C THR A 152 17.330 -14.718 -4.638 1.00 35.20 C ATOM 928 O THR A 152 17.383 -14.836 -5.860 1.00 13.31 O ATOM 929 CB THR A 152 15.107 -15.708 -4.079 1.00 53.55 C ATOM 930 OG1 THR A 152 13.776 -15.419 -3.635 1.00 74.13 O ATOM 931 CG2 THR A 152 15.673 -16.867 -3.275 1.00 13.13 C ATOM 0 H THR A 152 14.695 -13.491 -5.256 1.00 44.52 H new ATOM 0 HA THR A 152 16.170 -14.263 -2.882 1.00 64.33 H new ATOM 0 HB THR A 152 15.081 -15.991 -5.131 1.00 53.55 H new ATOM 0 HG1 THR A 152 13.219 -16.220 -3.729 1.00 74.13 H new ATOM 0 HG21 THR A 152 15.027 -17.738 -3.387 1.00 13.13 H new ATOM 0 HG22 THR A 152 16.672 -17.108 -3.638 1.00 13.13 H new ATOM 0 HG23 THR A 152 15.727 -16.588 -2.223 1.00 13.13 H new ATOM 939 N PHE A 153 18.396 -14.806 -3.864 1.00 32.24 N ATOM 940 CA PHE A 153 19.717 -15.061 -4.409 1.00 42.30 C ATOM 941 C PHE A 153 20.170 -16.466 -4.055 1.00 12.41 C ATOM 942 O PHE A 153 19.688 -17.060 -3.088 1.00 62.14 O ATOM 943 CB PHE A 153 20.735 -14.052 -3.876 1.00 5.13 C ATOM 944 CG PHE A 153 20.453 -12.633 -4.272 1.00 72.04 C ATOM 945 CD1 PHE A 153 21.001 -12.098 -5.424 1.00 23.32 C ATOM 946 CD2 PHE A 153 19.646 -11.833 -3.485 1.00 73.14 C ATOM 947 CE1 PHE A 153 20.745 -10.790 -5.784 1.00 40.52 C ATOM 948 CE2 PHE A 153 19.387 -10.528 -3.840 1.00 62.12 C ATOM 949 CZ PHE A 153 19.936 -10.005 -4.990 1.00 50.31 C ATOM 0 H PHE A 153 18.372 -14.704 -2.849 1.00 32.24 H new ATOM 0 HA PHE A 153 19.656 -14.959 -5.492 1.00 42.30 H new ATOM 0 HB2 PHE A 153 20.760 -14.117 -2.788 1.00 5.13 H new ATOM 0 HB3 PHE A 153 21.727 -14.328 -4.234 1.00 5.13 H new ATOM 0 HD1 PHE A 153 21.636 -12.710 -6.048 1.00 23.32 H new ATOM 0 HD2 PHE A 153 19.214 -12.236 -2.581 1.00 73.14 H new ATOM 0 HE1 PHE A 153 21.178 -10.382 -6.686 1.00 40.52 H new ATOM 0 HE2 PHE A 153 18.753 -9.914 -3.217 1.00 62.12 H new ATOM 0 HZ PHE A 153 19.733 -8.982 -5.269 1.00 50.31 H new ATOM 959 N ASP A 154 21.084 -16.995 -4.850 1.00 11.11 N ATOM 960 CA ASP A 154 21.675 -18.300 -4.580 1.00 52.32 C ATOM 961 C ASP A 154 22.591 -18.240 -3.361 1.00 73.33 C ATOM 962 O ASP A 154 22.810 -19.244 -2.680 1.00 75.04 O ATOM 963 CB ASP A 154 22.458 -18.774 -5.807 1.00 23.23 C ATOM 964 CG ASP A 154 23.275 -20.026 -5.552 1.00 64.54 C ATOM 965 OD1 ASP A 154 24.487 -19.902 -5.280 1.00 72.41 O ATOM 966 OD2 ASP A 154 22.714 -21.135 -5.642 1.00 4.21 O ATOM 0 H ASP A 154 21.436 -16.540 -5.692 1.00 11.11 H new ATOM 0 HA ASP A 154 20.874 -19.008 -4.367 1.00 52.32 H new ATOM 0 HB2 ASP A 154 21.761 -18.964 -6.623 1.00 23.23 H new ATOM 0 HB3 ASP A 154 23.123 -17.975 -6.135 1.00 23.23 H new ATOM 971 N ASP A 155 23.093 -17.050 -3.068 1.00 65.35 N ATOM 972 CA ASP A 155 24.095 -16.887 -2.017 1.00 63.01 C ATOM 973 C ASP A 155 23.756 -15.714 -1.112 1.00 74.34 C ATOM 974 O ASP A 155 23.150 -14.736 -1.550 1.00 54.34 O ATOM 975 CB ASP A 155 25.472 -16.659 -2.638 1.00 53.21 C ATOM 976 CG ASP A 155 26.600 -17.163 -1.762 1.00 41.41 C ATOM 977 OD1 ASP A 155 27.383 -18.011 -2.235 1.00 4.33 O ATOM 978 OD2 ASP A 155 26.694 -16.733 -0.593 1.00 11.24 O ATOM 0 H ASP A 155 22.827 -16.185 -3.538 1.00 65.35 H new ATOM 0 HA ASP A 155 24.103 -17.799 -1.420 1.00 63.01 H new ATOM 0 HB2 ASP A 155 25.517 -17.160 -3.605 1.00 53.21 H new ATOM 0 HB3 ASP A 155 25.610 -15.594 -2.824 1.00 53.21 H new ATOM 983 N HIS A 156 24.164 -15.812 0.146 1.00 55.21 N ATOM 984 CA HIS A 156 23.952 -14.740 1.107 1.00 31.32 C ATOM 985 C HIS A 156 25.111 -13.751 1.076 1.00 25.43 C ATOM 986 O HIS A 156 25.089 -12.727 1.758 1.00 75.42 O ATOM 987 CB HIS A 156 23.759 -15.293 2.525 1.00 10.33 C ATOM 988 CG HIS A 156 24.802 -16.278 2.966 1.00 64.11 C ATOM 989 ND1 HIS A 156 24.466 -17.567 3.290 1.00 13.53 N ATOM 990 CD2 HIS A 156 26.133 -16.107 3.152 1.00 62.00 C ATOM 991 CE1 HIS A 156 25.590 -18.149 3.667 1.00 43.22 C ATOM 992 NE2 HIS A 156 26.628 -17.303 3.602 1.00 51.42 N ATOM 0 H HIS A 156 24.646 -16.627 0.525 1.00 55.21 H new ATOM 0 HA HIS A 156 23.040 -14.216 0.822 1.00 31.32 H new ATOM 0 HB2 HIS A 156 23.748 -14.459 3.226 1.00 10.33 H new ATOM 0 HB3 HIS A 156 22.781 -15.771 2.583 1.00 10.33 H new ATOM 0 HD2 HIS A 156 26.696 -15.202 2.979 1.00 62.00 H new ATOM 0 HE1 HIS A 156 25.664 -19.178 3.988 1.00 43.22 H new ATOM 0 HE2 HIS A 156 27.598 -17.509 3.841 1.00 51.42 H new ATOM 1000 N ASP A 157 26.134 -14.065 0.295 1.00 52.42 N ATOM 1001 CA ASP A 157 27.236 -13.135 0.091 1.00 41.14 C ATOM 1002 C ASP A 157 26.795 -11.990 -0.811 1.00 5.01 C ATOM 1003 O ASP A 157 27.089 -10.825 -0.550 1.00 14.53 O ATOM 1004 CB ASP A 157 28.444 -13.844 -0.524 1.00 23.51 C ATOM 1005 CG ASP A 157 29.543 -12.873 -0.907 1.00 43.22 C ATOM 1006 OD1 ASP A 157 29.666 -12.551 -2.109 1.00 12.22 O ATOM 1007 OD2 ASP A 157 30.270 -12.404 -0.009 1.00 71.32 O ATOM 0 H ASP A 157 26.225 -14.950 -0.205 1.00 52.42 H new ATOM 0 HA ASP A 157 27.528 -12.737 1.063 1.00 41.14 H new ATOM 0 HB2 ASP A 157 28.836 -14.572 0.186 1.00 23.51 H new ATOM 0 HB3 ASP A 157 28.127 -14.398 -1.407 1.00 23.51 H new ATOM 1012 N SER A 158 26.065 -12.338 -1.859 1.00 23.25 N ATOM 1013 CA SER A 158 25.596 -11.374 -2.844 1.00 3.03 C ATOM 1014 C SER A 158 24.633 -10.364 -2.222 1.00 34.41 C ATOM 1015 O SER A 158 24.608 -9.197 -2.611 1.00 31.42 O ATOM 1016 CB SER A 158 24.907 -12.123 -3.982 1.00 23.00 C ATOM 1017 OG SER A 158 25.674 -13.250 -4.376 1.00 31.32 O ATOM 0 H SER A 158 25.780 -13.298 -2.052 1.00 23.25 H new ATOM 0 HA SER A 158 26.453 -10.819 -3.226 1.00 3.03 H new ATOM 0 HB2 SER A 158 23.915 -12.445 -3.665 1.00 23.00 H new ATOM 0 HB3 SER A 158 24.769 -11.455 -4.832 1.00 23.00 H new ATOM 0 HG SER A 158 25.216 -13.719 -5.105 1.00 31.32 H new ATOM 1023 N VAL A 159 23.856 -10.812 -1.239 1.00 23.34 N ATOM 1024 CA VAL A 159 22.862 -9.951 -0.607 1.00 11.03 C ATOM 1025 C VAL A 159 23.529 -8.914 0.290 1.00 31.31 C ATOM 1026 O VAL A 159 22.955 -7.862 0.568 1.00 55.14 O ATOM 1027 CB VAL A 159 21.841 -10.757 0.235 1.00 3.00 C ATOM 1028 CG1 VAL A 159 21.293 -11.932 -0.553 1.00 74.35 C ATOM 1029 CG2 VAL A 159 22.454 -11.226 1.544 1.00 5.13 C ATOM 0 H VAL A 159 23.895 -11.760 -0.865 1.00 23.34 H new ATOM 0 HA VAL A 159 22.329 -9.452 -1.417 1.00 11.03 H new ATOM 0 HB VAL A 159 21.012 -10.091 0.473 1.00 3.00 H new ATOM 0 HG11 VAL A 159 20.579 -12.481 0.061 1.00 74.35 H new ATOM 0 HG12 VAL A 159 20.794 -11.567 -1.451 1.00 74.35 H new ATOM 0 HG13 VAL A 159 22.112 -12.594 -0.836 1.00 74.35 H new ATOM 0 HG21 VAL A 159 21.713 -11.788 2.112 1.00 5.13 H new ATOM 0 HG22 VAL A 159 23.312 -11.865 1.336 1.00 5.13 H new ATOM 0 HG23 VAL A 159 22.777 -10.362 2.125 1.00 5.13 H new ATOM 1039 N ASP A 160 24.753 -9.208 0.723 1.00 74.15 N ATOM 1040 CA ASP A 160 25.458 -8.356 1.673 1.00 41.04 C ATOM 1041 C ASP A 160 25.738 -6.981 1.084 1.00 11.14 C ATOM 1042 O ASP A 160 25.488 -5.967 1.728 1.00 54.41 O ATOM 1043 CB ASP A 160 26.763 -9.013 2.120 1.00 60.13 C ATOM 1044 CG ASP A 160 27.535 -8.156 3.103 1.00 34.41 C ATOM 1045 OD1 ASP A 160 27.100 -8.038 4.267 1.00 63.31 O ATOM 1046 OD2 ASP A 160 28.587 -7.606 2.719 1.00 42.23 O ATOM 0 H ASP A 160 25.277 -10.032 0.429 1.00 74.15 H new ATOM 0 HA ASP A 160 24.812 -8.227 2.542 1.00 41.04 H new ATOM 0 HB2 ASP A 160 26.543 -9.977 2.578 1.00 60.13 H new ATOM 0 HB3 ASP A 160 27.385 -9.209 1.247 1.00 60.13 H new ATOM 1051 N LYS A 161 26.208 -6.947 -0.163 1.00 71.32 N ATOM 1052 CA LYS A 161 26.518 -5.679 -0.829 1.00 71.54 C ATOM 1053 C LYS A 161 25.239 -4.883 -1.087 1.00 44.45 C ATOM 1054 O LYS A 161 25.282 -3.724 -1.499 1.00 35.13 O ATOM 1055 CB LYS A 161 27.260 -5.890 -2.164 1.00 42.21 C ATOM 1056 CG LYS A 161 27.492 -7.343 -2.571 1.00 4.43 C ATOM 1057 CD LYS A 161 28.583 -7.999 -1.739 1.00 4.22 C ATOM 1058 CE LYS A 161 29.069 -9.292 -2.366 1.00 2.21 C ATOM 1059 NZ LYS A 161 30.179 -9.896 -1.582 1.00 2.35 N ATOM 0 H LYS A 161 26.382 -7.776 -0.731 1.00 71.32 H new ATOM 0 HA LYS A 161 27.173 -5.123 -0.159 1.00 71.54 H new ATOM 0 HB2 LYS A 161 26.695 -5.397 -2.955 1.00 42.21 H new ATOM 0 HB3 LYS A 161 28.227 -5.390 -2.104 1.00 42.21 H new ATOM 0 HG2 LYS A 161 26.564 -7.904 -2.459 1.00 4.43 H new ATOM 0 HG3 LYS A 161 27.765 -7.385 -3.625 1.00 4.43 H new ATOM 0 HD2 LYS A 161 29.421 -7.310 -1.630 1.00 4.22 H new ATOM 0 HD3 LYS A 161 28.204 -8.201 -0.737 1.00 4.22 H new ATOM 0 HE2 LYS A 161 28.242 -9.999 -2.431 1.00 2.21 H new ATOM 0 HE3 LYS A 161 29.405 -9.099 -3.385 1.00 2.21 H new ATOM 0 HZ1 LYS A 161 30.418 -10.827 -1.980 1.00 2.35 H new ATOM 0 HZ2 LYS A 161 31.013 -9.276 -1.626 1.00 2.35 H new ATOM 0 HZ3 LYS A 161 29.883 -10.009 -0.591 1.00 2.35 H new ATOM 1073 N ILE A 162 24.109 -5.520 -0.839 1.00 11.11 N ATOM 1074 CA ILE A 162 22.813 -4.912 -1.060 1.00 64.52 C ATOM 1075 C ILE A 162 22.220 -4.415 0.254 1.00 31.33 C ATOM 1076 O ILE A 162 21.798 -3.264 0.363 1.00 25.31 O ATOM 1077 CB ILE A 162 21.852 -5.932 -1.701 1.00 61.10 C ATOM 1078 CG1 ILE A 162 22.458 -6.480 -2.991 1.00 63.45 C ATOM 1079 CG2 ILE A 162 20.497 -5.302 -1.970 1.00 35.01 C ATOM 1080 CD1 ILE A 162 21.675 -7.624 -3.586 1.00 14.22 C ATOM 0 H ILE A 162 24.066 -6.473 -0.479 1.00 11.11 H new ATOM 0 HA ILE A 162 22.945 -4.064 -1.732 1.00 64.52 H new ATOM 0 HB ILE A 162 21.705 -6.757 -1.004 1.00 61.10 H new ATOM 0 HG12 ILE A 162 22.523 -5.675 -3.723 1.00 63.45 H new ATOM 0 HG13 ILE A 162 23.477 -6.812 -2.792 1.00 63.45 H new ATOM 0 HG21 ILE A 162 19.836 -6.041 -2.422 1.00 35.01 H new ATOM 0 HG22 ILE A 162 20.065 -4.954 -1.032 1.00 35.01 H new ATOM 0 HG23 ILE A 162 20.617 -4.458 -2.649 1.00 35.01 H new ATOM 0 HD11 ILE A 162 22.163 -7.963 -4.500 1.00 14.22 H new ATOM 0 HD12 ILE A 162 21.632 -8.446 -2.871 1.00 14.22 H new ATOM 0 HD13 ILE A 162 20.663 -7.291 -3.817 1.00 14.22 H new ATOM 1092 N VAL A 163 22.215 -5.291 1.250 1.00 73.15 N ATOM 1093 CA VAL A 163 21.601 -5.000 2.540 1.00 11.21 C ATOM 1094 C VAL A 163 22.421 -4.014 3.378 1.00 33.33 C ATOM 1095 O VAL A 163 21.913 -3.461 4.356 1.00 13.34 O ATOM 1096 CB VAL A 163 21.373 -6.295 3.352 1.00 70.33 C ATOM 1097 CG1 VAL A 163 20.384 -7.206 2.639 1.00 44.23 C ATOM 1098 CG2 VAL A 163 22.687 -7.022 3.596 1.00 33.02 C ATOM 0 H VAL A 163 22.634 -6.219 1.188 1.00 73.15 H new ATOM 0 HA VAL A 163 20.642 -4.533 2.317 1.00 11.21 H new ATOM 0 HB VAL A 163 20.954 -6.018 4.319 1.00 70.33 H new ATOM 0 HG11 VAL A 163 20.236 -8.113 3.226 1.00 44.23 H new ATOM 0 HG12 VAL A 163 19.431 -6.689 2.523 1.00 44.23 H new ATOM 0 HG13 VAL A 163 20.775 -7.470 1.656 1.00 44.23 H new ATOM 0 HG21 VAL A 163 22.500 -7.930 4.169 1.00 33.02 H new ATOM 0 HG22 VAL A 163 23.141 -7.284 2.640 1.00 33.02 H new ATOM 0 HG23 VAL A 163 23.363 -6.374 4.154 1.00 33.02 H new ATOM 1108 N ILE A 164 23.683 -3.797 3.012 1.00 32.43 N ATOM 1109 CA ILE A 164 24.516 -2.833 3.729 1.00 42.44 C ATOM 1110 C ILE A 164 24.018 -1.412 3.508 1.00 13.30 C ATOM 1111 O ILE A 164 24.162 -0.551 4.375 1.00 11.44 O ATOM 1112 CB ILE A 164 26.013 -2.936 3.350 1.00 41.45 C ATOM 1113 CG1 ILE A 164 26.216 -2.947 1.829 1.00 33.22 C ATOM 1114 CG2 ILE A 164 26.630 -4.171 3.984 1.00 41.33 C ATOM 1115 CD1 ILE A 164 26.405 -1.576 1.215 1.00 53.44 C ATOM 0 H ILE A 164 24.146 -4.268 2.235 1.00 32.43 H new ATOM 0 HA ILE A 164 24.432 -3.083 4.787 1.00 42.44 H new ATOM 0 HB ILE A 164 26.517 -2.050 3.737 1.00 41.45 H new ATOM 0 HG12 ILE A 164 27.086 -3.560 1.595 1.00 33.22 H new ATOM 0 HG13 ILE A 164 25.355 -3.425 1.363 1.00 33.22 H new ATOM 0 HG21 ILE A 164 27.683 -4.233 3.710 1.00 41.33 H new ATOM 0 HG22 ILE A 164 26.540 -4.107 5.068 1.00 41.33 H new ATOM 0 HG23 ILE A 164 26.110 -5.061 3.629 1.00 41.33 H new ATOM 0 HD11 ILE A 164 26.542 -1.675 0.138 1.00 53.44 H new ATOM 0 HD12 ILE A 164 25.526 -0.964 1.414 1.00 53.44 H new ATOM 0 HD13 ILE A 164 27.284 -1.101 1.650 1.00 53.44 H new ATOM 1127 N GLN A 165 23.423 -1.172 2.351 1.00 64.23 N ATOM 1128 CA GLN A 165 22.792 0.109 2.077 1.00 2.01 C ATOM 1129 C GLN A 165 21.278 -0.040 2.145 1.00 14.41 C ATOM 1130 O GLN A 165 20.774 -1.091 2.538 1.00 25.00 O ATOM 1131 CB GLN A 165 23.235 0.669 0.719 1.00 33.30 C ATOM 1132 CG GLN A 165 23.080 -0.300 -0.439 1.00 72.41 C ATOM 1133 CD GLN A 165 23.500 0.305 -1.767 1.00 51.22 C ATOM 1134 OE1 GLN A 165 24.663 0.220 -2.163 1.00 53.22 O ATOM 1135 NE2 GLN A 165 22.556 0.920 -2.462 1.00 2.10 N ATOM 0 H GLN A 165 23.364 -1.846 1.588 1.00 64.23 H new ATOM 0 HA GLN A 165 23.108 0.824 2.836 1.00 2.01 H new ATOM 0 HB2 GLN A 165 22.657 1.568 0.504 1.00 33.30 H new ATOM 0 HB3 GLN A 165 24.280 0.970 0.787 1.00 33.30 H new ATOM 0 HG2 GLN A 165 23.677 -1.191 -0.245 1.00 72.41 H new ATOM 0 HG3 GLN A 165 22.040 -0.621 -0.503 1.00 72.41 H new ATOM 0 HE21 GLN A 165 21.604 0.968 -2.098 1.00 2.10 H new ATOM 0 HE22 GLN A 165 22.780 1.346 -3.361 1.00 2.10 H new ATOM 1144 N LYS A 166 20.557 1.008 1.786 1.00 5.12 N ATOM 1145 CA LYS A 166 19.104 1.004 1.893 1.00 33.25 C ATOM 1146 C LYS A 166 18.470 1.396 0.568 1.00 24.34 C ATOM 1147 O LYS A 166 17.852 0.574 -0.097 1.00 2.43 O ATOM 1148 CB LYS A 166 18.678 1.973 2.998 1.00 62.01 C ATOM 1149 CG LYS A 166 17.189 2.007 3.281 1.00 33.51 C ATOM 1150 CD LYS A 166 16.853 3.137 4.239 1.00 20.13 C ATOM 1151 CE LYS A 166 15.406 3.092 4.687 1.00 13.43 C ATOM 1152 NZ LYS A 166 15.156 1.990 5.652 1.00 23.11 N ATOM 0 H LYS A 166 20.952 1.873 1.418 1.00 5.12 H new ATOM 0 HA LYS A 166 18.765 -0.001 2.144 1.00 33.25 H new ATOM 0 HB2 LYS A 166 19.201 1.706 3.916 1.00 62.01 H new ATOM 0 HB3 LYS A 166 19.004 2.977 2.726 1.00 62.01 H new ATOM 0 HG2 LYS A 166 16.639 2.137 2.349 1.00 33.51 H new ATOM 0 HG3 LYS A 166 16.872 1.055 3.707 1.00 33.51 H new ATOM 0 HD2 LYS A 166 17.504 3.078 5.111 1.00 20.13 H new ATOM 0 HD3 LYS A 166 17.053 4.093 3.756 1.00 20.13 H new ATOM 0 HE2 LYS A 166 15.139 4.044 5.146 1.00 13.43 H new ATOM 0 HE3 LYS A 166 14.761 2.966 3.817 1.00 13.43 H new ATOM 0 HZ1 LYS A 166 14.180 1.647 5.542 1.00 23.11 H new ATOM 0 HZ2 LYS A 166 15.820 1.211 5.469 1.00 23.11 H new ATOM 0 HZ3 LYS A 166 15.292 2.340 6.622 1.00 23.11 H new ATOM 1166 N TYR A 167 18.623 2.653 0.192 1.00 1.14 N ATOM 1167 CA TYR A 167 18.080 3.136 -1.066 1.00 11.22 C ATOM 1168 C TYR A 167 18.859 2.564 -2.243 1.00 71.31 C ATOM 1169 O TYR A 167 20.070 2.759 -2.355 1.00 65.41 O ATOM 1170 CB TYR A 167 18.103 4.665 -1.121 1.00 64.10 C ATOM 1171 CG TYR A 167 17.120 5.345 -0.190 1.00 45.44 C ATOM 1172 CD1 TYR A 167 17.066 6.729 -0.115 1.00 20.24 C ATOM 1173 CD2 TYR A 167 16.245 4.611 0.605 1.00 12.02 C ATOM 1174 CE1 TYR A 167 16.175 7.365 0.725 1.00 55.33 C ATOM 1175 CE2 TYR A 167 15.350 5.242 1.448 1.00 4.41 C ATOM 1176 CZ TYR A 167 15.321 6.619 1.503 1.00 24.03 C ATOM 1177 OH TYR A 167 14.434 7.252 2.344 1.00 50.22 O ATOM 0 H TYR A 167 19.118 3.358 0.739 1.00 1.14 H new ATOM 0 HA TYR A 167 17.045 2.801 -1.132 1.00 11.22 H new ATOM 0 HB2 TYR A 167 19.109 5.009 -0.880 1.00 64.10 H new ATOM 0 HB3 TYR A 167 17.894 4.982 -2.143 1.00 64.10 H new ATOM 0 HD1 TYR A 167 17.733 7.320 -0.725 1.00 20.24 H new ATOM 0 HD2 TYR A 167 16.266 3.532 0.563 1.00 12.02 H new ATOM 0 HE1 TYR A 167 16.148 8.444 0.771 1.00 55.33 H new ATOM 0 HE2 TYR A 167 14.677 4.660 2.060 1.00 4.41 H new ATOM 0 HH TYR A 167 13.902 6.582 2.822 1.00 50.22 H new ATOM 1187 N HIS A 168 18.159 1.843 -3.100 1.00 54.11 N ATOM 1188 CA HIS A 168 18.746 1.317 -4.320 1.00 23.12 C ATOM 1189 C HIS A 168 18.062 1.923 -5.527 1.00 75.32 C ATOM 1190 O HIS A 168 16.845 2.127 -5.525 1.00 22.43 O ATOM 1191 CB HIS A 168 18.629 -0.206 -4.386 1.00 20.42 C ATOM 1192 CG HIS A 168 19.638 -0.936 -3.556 1.00 12.13 C ATOM 1193 ND1 HIS A 168 20.693 -1.597 -4.135 1.00 15.24 N ATOM 1194 CD2 HIS A 168 19.697 -1.105 -2.214 1.00 54.43 C ATOM 1195 CE1 HIS A 168 21.362 -2.153 -3.144 1.00 52.24 C ATOM 1196 NE2 HIS A 168 20.795 -1.883 -1.960 1.00 2.03 N ATOM 0 H HIS A 168 17.175 1.607 -2.972 1.00 54.11 H new ATOM 0 HA HIS A 168 19.803 1.582 -4.319 1.00 23.12 H new ATOM 0 HB2 HIS A 168 17.630 -0.497 -4.062 1.00 20.42 H new ATOM 0 HB3 HIS A 168 18.732 -0.522 -5.424 1.00 20.42 H new ATOM 0 HD2 HIS A 168 19.010 -0.703 -1.484 1.00 54.43 H new ATOM 0 HE1 HIS A 168 22.253 -2.750 -3.270 1.00 52.24 H new ATOM 0 HE2 HIS A 168 21.119 -2.197 -1.045 1.00 2.03 H new ATOM 1204 N THR A 169 18.841 2.212 -6.550 1.00 75.24 N ATOM 1205 CA THR A 169 18.311 2.789 -7.764 1.00 44.04 C ATOM 1206 C THR A 169 17.984 1.696 -8.780 1.00 74.22 C ATOM 1207 O THR A 169 18.777 1.397 -9.675 1.00 71.04 O ATOM 1208 CB THR A 169 19.307 3.791 -8.372 1.00 14.13 C ATOM 1209 OG1 THR A 169 19.763 4.693 -7.354 1.00 53.14 O ATOM 1210 CG2 THR A 169 18.660 4.581 -9.496 1.00 70.30 C ATOM 0 H THR A 169 19.849 2.055 -6.562 1.00 75.24 H new ATOM 0 HA THR A 169 17.393 3.320 -7.512 1.00 44.04 H new ATOM 0 HB THR A 169 20.151 3.235 -8.780 1.00 14.13 H new ATOM 0 HG1 THR A 169 20.399 5.330 -7.742 1.00 53.14 H new ATOM 0 HG21 THR A 169 19.383 5.283 -9.911 1.00 70.30 H new ATOM 0 HG22 THR A 169 18.329 3.897 -10.278 1.00 70.30 H new ATOM 0 HG23 THR A 169 17.802 5.131 -9.108 1.00 70.30 H new ATOM 1218 N VAL A 170 16.820 1.086 -8.618 1.00 72.40 N ATOM 1219 CA VAL A 170 16.391 0.015 -9.502 1.00 33.32 C ATOM 1220 C VAL A 170 15.487 0.576 -10.587 1.00 50.13 C ATOM 1221 O VAL A 170 14.468 1.192 -10.284 1.00 60.34 O ATOM 1222 CB VAL A 170 15.632 -1.088 -8.740 1.00 21.51 C ATOM 1223 CG1 VAL A 170 15.365 -2.270 -9.656 1.00 1.32 C ATOM 1224 CG2 VAL A 170 16.403 -1.525 -7.503 1.00 63.44 C ATOM 0 H VAL A 170 16.154 1.316 -7.880 1.00 72.40 H new ATOM 0 HA VAL A 170 17.286 -0.426 -9.941 1.00 33.32 H new ATOM 0 HB VAL A 170 14.676 -0.682 -8.409 1.00 21.51 H new ATOM 0 HG11 VAL A 170 14.828 -3.043 -9.106 1.00 1.32 H new ATOM 0 HG12 VAL A 170 14.763 -1.944 -10.504 1.00 1.32 H new ATOM 0 HG13 VAL A 170 16.312 -2.672 -10.016 1.00 1.32 H new ATOM 0 HG21 VAL A 170 15.846 -2.304 -6.983 1.00 63.44 H new ATOM 0 HG22 VAL A 170 17.378 -1.913 -7.800 1.00 63.44 H new ATOM 0 HG23 VAL A 170 16.539 -0.672 -6.839 1.00 63.44 H new ATOM 1234 N ASN A 171 15.876 0.376 -11.846 1.00 10.41 N ATOM 1235 CA ASN A 171 15.142 0.932 -12.992 1.00 51.13 C ATOM 1236 C ASN A 171 15.173 2.467 -12.949 1.00 75.43 C ATOM 1237 O ASN A 171 14.414 3.151 -13.633 1.00 11.23 O ATOM 1238 CB ASN A 171 13.691 0.415 -13.002 1.00 65.43 C ATOM 1239 CG ASN A 171 12.917 0.821 -14.245 1.00 50.41 C ATOM 1240 OD1 ASN A 171 13.481 0.968 -15.328 1.00 3.10 O ATOM 1241 ND2 ASN A 171 11.615 0.998 -14.094 1.00 52.23 N ATOM 0 H ASN A 171 16.699 -0.169 -12.103 1.00 10.41 H new ATOM 0 HA ASN A 171 15.627 0.604 -13.911 1.00 51.13 H new ATOM 0 HB2 ASN A 171 13.700 -0.672 -12.927 1.00 65.43 H new ATOM 0 HB3 ASN A 171 13.172 0.791 -12.120 1.00 65.43 H new ATOM 0 HD21 ASN A 171 11.041 1.266 -14.893 1.00 52.23 H new ATOM 0 HD22 ASN A 171 11.185 0.866 -13.178 1.00 52.23 H new ATOM 1248 N GLY A 172 16.086 3.006 -12.151 1.00 15.23 N ATOM 1249 CA GLY A 172 16.162 4.442 -11.968 1.00 21.13 C ATOM 1250 C GLY A 172 15.252 4.918 -10.853 1.00 15.43 C ATOM 1251 O GLY A 172 15.243 6.101 -10.507 1.00 1.31 O ATOM 0 H GLY A 172 16.778 2.471 -11.625 1.00 15.23 H new ATOM 0 HA2 GLY A 172 17.190 4.726 -11.744 1.00 21.13 H new ATOM 0 HA3 GLY A 172 15.889 4.942 -12.898 1.00 21.13 H new ATOM 1255 N HIS A 173 14.496 3.991 -10.286 1.00 13.24 N ATOM 1256 CA HIS A 173 13.557 4.299 -9.219 1.00 51.22 C ATOM 1257 C HIS A 173 14.262 4.195 -7.871 1.00 70.33 C ATOM 1258 O HIS A 173 15.211 3.423 -7.722 1.00 71.31 O ATOM 1259 CB HIS A 173 12.377 3.325 -9.275 1.00 74.52 C ATOM 1260 CG HIS A 173 11.134 3.829 -8.614 1.00 1.43 C ATOM 1261 ND1 HIS A 173 10.839 3.535 -7.305 1.00 75.21 N ATOM 1262 CD2 HIS A 173 10.141 4.586 -9.133 1.00 43.24 C ATOM 1263 CE1 HIS A 173 9.678 4.116 -7.061 1.00 3.32 C ATOM 1264 NE2 HIS A 173 9.216 4.765 -8.141 1.00 62.50 N ATOM 0 H HIS A 173 14.516 3.006 -10.552 1.00 13.24 H new ATOM 0 HA HIS A 173 13.183 5.315 -9.345 1.00 51.22 H new ATOM 0 HB2 HIS A 173 12.155 3.101 -10.318 1.00 74.52 H new ATOM 0 HB3 HIS A 173 12.671 2.388 -8.803 1.00 74.52 H new ATOM 0 HD1 HIS A 173 11.400 2.983 -6.656 1.00 75.21 H new ATOM 0 HD2 HIS A 173 10.088 4.975 -10.139 1.00 43.24 H new ATOM 0 HE1 HIS A 173 9.165 4.074 -6.112 1.00 3.32 H new ATOM 1272 N ASN A 174 13.812 4.974 -6.898 1.00 11.51 N ATOM 1273 CA ASN A 174 14.409 4.946 -5.570 1.00 75.24 C ATOM 1274 C ASN A 174 13.599 4.053 -4.642 1.00 14.13 C ATOM 1275 O ASN A 174 12.521 4.432 -4.182 1.00 3.30 O ATOM 1276 CB ASN A 174 14.509 6.361 -4.992 1.00 13.13 C ATOM 1277 CG ASN A 174 15.137 6.384 -3.610 1.00 32.12 C ATOM 1278 OD1 ASN A 174 14.444 6.348 -2.593 1.00 42.32 O ATOM 1279 ND2 ASN A 174 16.459 6.430 -3.564 1.00 64.24 N ATOM 0 H ASN A 174 13.039 5.631 -7.002 1.00 11.51 H new ATOM 0 HA ASN A 174 15.416 4.537 -5.657 1.00 75.24 H new ATOM 0 HB2 ASN A 174 15.098 6.984 -5.665 1.00 13.13 H new ATOM 0 HB3 ASN A 174 13.513 6.800 -4.942 1.00 13.13 H new ATOM 0 HD21 ASN A 174 16.938 6.437 -2.664 1.00 64.24 H new ATOM 0 HD22 ASN A 174 16.999 6.459 -4.429 1.00 64.24 H new ATOM 1286 N CYS A 175 14.109 2.862 -4.389 1.00 23.31 N ATOM 1287 CA CYS A 175 13.417 1.904 -3.545 1.00 12.20 C ATOM 1288 C CYS A 175 14.238 1.605 -2.295 1.00 65.14 C ATOM 1289 O CYS A 175 15.462 1.762 -2.297 1.00 34.23 O ATOM 1290 CB CYS A 175 13.157 0.617 -4.327 1.00 62.35 C ATOM 1291 SG CYS A 175 12.389 0.877 -5.946 1.00 25.25 S ATOM 0 H CYS A 175 15.002 2.534 -4.757 1.00 23.31 H new ATOM 0 HA CYS A 175 12.463 2.331 -3.236 1.00 12.20 H new ATOM 0 HB2 CYS A 175 14.102 0.092 -4.465 1.00 62.35 H new ATOM 0 HB3 CYS A 175 12.515 -0.033 -3.733 1.00 62.35 H new ATOM 0 HG CYS A 175 12.211 -0.270 -6.531 1.00 25.25 H new ATOM 1297 N GLU A 176 13.566 1.185 -1.231 1.00 44.23 N ATOM 1298 CA GLU A 176 14.244 0.819 0.001 1.00 52.44 C ATOM 1299 C GLU A 176 14.500 -0.680 0.020 1.00 2.34 C ATOM 1300 O GLU A 176 13.581 -1.479 -0.155 1.00 41.34 O ATOM 1301 CB GLU A 176 13.414 1.218 1.221 1.00 62.13 C ATOM 1302 CG GLU A 176 13.976 0.698 2.534 1.00 22.34 C ATOM 1303 CD GLU A 176 12.923 0.563 3.611 1.00 24.25 C ATOM 1304 OE1 GLU A 176 12.857 1.440 4.497 1.00 22.33 O ATOM 1305 OE2 GLU A 176 12.172 -0.429 3.588 1.00 34.44 O ATOM 0 H GLU A 176 12.551 1.090 -1.199 1.00 44.23 H new ATOM 0 HA GLU A 176 15.194 1.353 0.043 1.00 52.44 H new ATOM 0 HB2 GLU A 176 13.351 2.305 1.267 1.00 62.13 H new ATOM 0 HB3 GLU A 176 12.398 0.844 1.097 1.00 62.13 H new ATOM 0 HG2 GLU A 176 14.442 -0.273 2.365 1.00 22.34 H new ATOM 0 HG3 GLU A 176 14.759 1.372 2.881 1.00 22.34 H new ATOM 1312 N VAL A 177 15.749 -1.055 0.215 1.00 12.33 N ATOM 1313 CA VAL A 177 16.122 -2.452 0.233 1.00 74.31 C ATOM 1314 C VAL A 177 16.770 -2.833 1.556 1.00 70.11 C ATOM 1315 O VAL A 177 17.620 -2.113 2.078 1.00 63.43 O ATOM 1316 CB VAL A 177 17.085 -2.788 -0.917 1.00 34.40 C ATOM 1317 CG1 VAL A 177 17.423 -4.268 -0.921 1.00 34.34 C ATOM 1318 CG2 VAL A 177 16.490 -2.365 -2.248 1.00 52.34 C ATOM 0 H VAL A 177 16.523 -0.408 0.363 1.00 12.33 H new ATOM 0 HA VAL A 177 15.204 -3.026 0.107 1.00 74.31 H new ATOM 0 HB VAL A 177 18.010 -2.233 -0.764 1.00 34.40 H new ATOM 0 HG11 VAL A 177 18.106 -4.483 -1.743 1.00 34.34 H new ATOM 0 HG12 VAL A 177 17.897 -4.536 0.024 1.00 34.34 H new ATOM 0 HG13 VAL A 177 16.510 -4.849 -1.046 1.00 34.34 H new ATOM 0 HG21 VAL A 177 17.185 -2.610 -3.051 1.00 52.34 H new ATOM 0 HG22 VAL A 177 15.549 -2.890 -2.409 1.00 52.34 H new ATOM 0 HG23 VAL A 177 16.309 -1.290 -2.240 1.00 52.34 H new ATOM 1328 N ARG A 178 16.339 -3.959 2.096 1.00 41.45 N ATOM 1329 CA ARG A 178 16.921 -4.533 3.303 1.00 73.30 C ATOM 1330 C ARG A 178 16.863 -6.050 3.205 1.00 33.14 C ATOM 1331 O ARG A 178 16.443 -6.584 2.182 1.00 60.15 O ATOM 1332 CB ARG A 178 16.186 -4.041 4.559 1.00 2.54 C ATOM 1333 CG ARG A 178 14.797 -3.488 4.283 1.00 43.53 C ATOM 1334 CD ARG A 178 14.073 -3.116 5.565 1.00 62.12 C ATOM 1335 NE ARG A 178 12.861 -2.349 5.290 1.00 4.43 N ATOM 1336 CZ ARG A 178 11.775 -2.347 6.054 1.00 70.21 C ATOM 1337 NH1 ARG A 178 11.720 -3.088 7.156 1.00 3.32 N ATOM 1338 NH2 ARG A 178 10.747 -1.588 5.710 1.00 31.24 N ATOM 0 H ARG A 178 15.570 -4.507 1.709 1.00 41.45 H new ATOM 0 HA ARG A 178 17.959 -4.212 3.388 1.00 73.30 H new ATOM 0 HB2 ARG A 178 16.104 -4.866 5.267 1.00 2.54 H new ATOM 0 HB3 ARG A 178 16.785 -3.268 5.039 1.00 2.54 H new ATOM 0 HG2 ARG A 178 14.876 -2.610 3.642 1.00 43.53 H new ATOM 0 HG3 ARG A 178 14.213 -4.229 3.737 1.00 43.53 H new ATOM 0 HD2 ARG A 178 13.815 -4.021 6.115 1.00 62.12 H new ATOM 0 HD3 ARG A 178 14.737 -2.533 6.204 1.00 62.12 H new ATOM 0 HE ARG A 178 12.848 -1.772 4.449 1.00 4.43 H new ATOM 0 HH11 ARG A 178 12.517 -3.666 7.422 1.00 3.32 H new ATOM 0 HH12 ARG A 178 10.881 -3.079 7.735 1.00 3.32 H new ATOM 0 HH21 ARG A 178 10.796 -1.015 4.868 1.00 31.24 H new ATOM 0 HH22 ARG A 178 9.906 -1.576 6.287 1.00 31.24 H new ATOM 1352 N LYS A 179 17.294 -6.749 4.245 1.00 63.40 N ATOM 1353 CA LYS A 179 17.233 -8.205 4.235 1.00 64.01 C ATOM 1354 C LYS A 179 15.805 -8.687 4.456 1.00 32.22 C ATOM 1355 O LYS A 179 15.143 -8.282 5.414 1.00 31.20 O ATOM 1356 CB LYS A 179 18.176 -8.815 5.278 1.00 44.12 C ATOM 1357 CG LYS A 179 18.109 -8.167 6.652 1.00 12.24 C ATOM 1358 CD LYS A 179 18.911 -8.954 7.681 1.00 51.02 C ATOM 1359 CE LYS A 179 20.315 -9.282 7.185 1.00 51.44 C ATOM 1360 NZ LYS A 179 21.144 -8.068 6.963 1.00 10.15 N ATOM 0 H LYS A 179 17.684 -6.341 5.094 1.00 63.40 H new ATOM 0 HA LYS A 179 17.564 -8.541 3.252 1.00 64.01 H new ATOM 0 HB2 LYS A 179 17.946 -9.875 5.380 1.00 44.12 H new ATOM 0 HB3 LYS A 179 19.199 -8.745 4.908 1.00 44.12 H new ATOM 0 HG2 LYS A 179 18.491 -7.148 6.594 1.00 12.24 H new ATOM 0 HG3 LYS A 179 17.070 -8.100 6.973 1.00 12.24 H new ATOM 0 HD2 LYS A 179 18.978 -8.379 8.604 1.00 51.02 H new ATOM 0 HD3 LYS A 179 18.386 -9.879 7.919 1.00 51.02 H new ATOM 0 HE2 LYS A 179 20.810 -9.927 7.910 1.00 51.44 H new ATOM 0 HE3 LYS A 179 20.245 -9.844 6.254 1.00 51.44 H new ATOM 0 HZ1 LYS A 179 22.087 -8.349 6.627 1.00 10.15 H new ATOM 0 HZ2 LYS A 179 20.689 -7.462 6.251 1.00 10.15 H new ATOM 0 HZ3 LYS A 179 21.237 -7.543 7.856 1.00 10.15 H new ATOM 1374 N ALA A 180 15.333 -9.538 3.554 1.00 33.41 N ATOM 1375 CA ALA A 180 13.977 -10.056 3.630 1.00 15.24 C ATOM 1376 C ALA A 180 13.879 -11.184 4.644 1.00 11.25 C ATOM 1377 O ALA A 180 14.287 -12.313 4.375 1.00 24.34 O ATOM 1378 CB ALA A 180 13.501 -10.537 2.267 1.00 32.44 C ATOM 0 H ALA A 180 15.872 -9.884 2.760 1.00 33.41 H new ATOM 0 HA ALA A 180 13.331 -9.241 3.956 1.00 15.24 H new ATOM 0 HB1 ALA A 180 12.484 -10.920 2.351 1.00 32.44 H new ATOM 0 HB2 ALA A 180 13.519 -9.706 1.561 1.00 32.44 H new ATOM 0 HB3 ALA A 180 14.159 -11.330 1.911 1.00 32.44 H new ATOM 1384 N LEU A 181 13.361 -10.867 5.814 1.00 30.43 N ATOM 1385 CA LEU A 181 13.100 -11.876 6.822 1.00 64.24 C ATOM 1386 C LEU A 181 11.656 -12.336 6.700 1.00 21.24 C ATOM 1387 O LEU A 181 10.764 -11.517 6.476 1.00 23.44 O ATOM 1388 CB LEU A 181 13.378 -11.347 8.237 1.00 52.52 C ATOM 1389 CG LEU A 181 12.399 -10.303 8.791 1.00 51.41 C ATOM 1390 CD1 LEU A 181 12.620 -10.133 10.283 1.00 64.21 C ATOM 1391 CD2 LEU A 181 12.558 -8.961 8.089 1.00 40.11 C ATOM 0 H LEU A 181 13.112 -9.917 6.091 1.00 30.43 H new ATOM 0 HA LEU A 181 13.772 -12.718 6.656 1.00 64.24 H new ATOM 0 HB2 LEU A 181 13.392 -12.196 8.920 1.00 52.52 H new ATOM 0 HB3 LEU A 181 14.378 -10.914 8.247 1.00 52.52 H new ATOM 0 HG LEU A 181 11.386 -10.660 8.607 1.00 51.41 H new ATOM 0 HD11 LEU A 181 11.923 -9.391 10.672 1.00 64.21 H new ATOM 0 HD12 LEU A 181 12.454 -11.086 10.786 1.00 64.21 H new ATOM 0 HD13 LEU A 181 13.642 -9.800 10.464 1.00 64.21 H new ATOM 0 HD21 LEU A 181 11.849 -8.246 8.506 1.00 40.11 H new ATOM 0 HD22 LEU A 181 13.573 -8.592 8.234 1.00 40.11 H new ATOM 0 HD23 LEU A 181 12.365 -9.083 7.023 1.00 40.11 H new ATOM 1403 N SER A 182 11.440 -13.641 6.826 1.00 24.22 N ATOM 1404 CA SER A 182 10.116 -14.233 6.667 1.00 12.12 C ATOM 1405 C SER A 182 9.090 -13.503 7.528 1.00 30.43 C ATOM 1406 O SER A 182 9.389 -13.118 8.659 1.00 74.32 O ATOM 1407 CB SER A 182 10.183 -15.708 7.052 1.00 73.43 C ATOM 1408 OG SER A 182 11.336 -16.314 6.491 1.00 21.32 O ATOM 0 H SER A 182 12.174 -14.316 7.040 1.00 24.22 H new ATOM 0 HA SER A 182 9.803 -14.141 5.627 1.00 12.12 H new ATOM 0 HB2 SER A 182 10.204 -15.806 8.137 1.00 73.43 H new ATOM 0 HB3 SER A 182 9.288 -16.222 6.703 1.00 73.43 H new ATOM 0 HG SER A 182 12.036 -16.381 7.174 1.00 21.32 H new ATOM 1414 N LYS A 183 7.885 -13.300 6.996 1.00 61.40 N ATOM 1415 CA LYS A 183 6.856 -12.567 7.728 1.00 74.25 C ATOM 1416 C LYS A 183 6.480 -13.297 9.014 1.00 63.25 C ATOM 1417 O LYS A 183 5.992 -12.688 9.967 1.00 11.02 O ATOM 1418 CB LYS A 183 5.619 -12.302 6.863 1.00 63.24 C ATOM 1419 CG LYS A 183 5.012 -13.533 6.222 1.00 41.23 C ATOM 1420 CD LYS A 183 3.725 -13.178 5.498 1.00 73.24 C ATOM 1421 CE LYS A 183 3.095 -14.385 4.823 1.00 44.20 C ATOM 1422 NZ LYS A 183 2.519 -15.339 5.811 1.00 10.52 N ATOM 0 H LYS A 183 7.601 -13.628 6.073 1.00 61.40 H new ATOM 0 HA LYS A 183 7.275 -11.597 7.996 1.00 74.25 H new ATOM 0 HB2 LYS A 183 4.860 -11.819 7.479 1.00 63.24 H new ATOM 0 HB3 LYS A 183 5.888 -11.596 6.077 1.00 63.24 H new ATOM 0 HG2 LYS A 183 5.721 -13.972 5.520 1.00 41.23 H new ATOM 0 HG3 LYS A 183 4.811 -14.285 6.985 1.00 41.23 H new ATOM 0 HD2 LYS A 183 3.017 -12.750 6.208 1.00 73.24 H new ATOM 0 HD3 LYS A 183 3.930 -12.412 4.751 1.00 73.24 H new ATOM 0 HE2 LYS A 183 2.312 -14.052 4.142 1.00 44.20 H new ATOM 0 HE3 LYS A 183 3.846 -14.896 4.220 1.00 44.20 H new ATOM 0 HZ1 LYS A 183 2.055 -16.122 5.308 1.00 10.52 H new ATOM 0 HZ2 LYS A 183 3.279 -15.716 6.413 1.00 10.52 H new ATOM 0 HZ3 LYS A 183 1.821 -14.846 6.403 1.00 10.52 H new ATOM 1436 N GLN A 184 6.739 -14.598 9.038 1.00 35.44 N ATOM 1437 CA GLN A 184 6.568 -15.399 10.242 1.00 31.24 C ATOM 1438 C GLN A 184 7.587 -14.966 11.300 1.00 1.24 C ATOM 1439 O GLN A 184 7.262 -14.819 12.479 1.00 65.02 O ATOM 1440 CB GLN A 184 6.739 -16.883 9.892 1.00 23.34 C ATOM 1441 CG GLN A 184 6.252 -17.844 10.970 1.00 73.34 C ATOM 1442 CD GLN A 184 7.258 -18.045 12.088 1.00 3.23 C ATOM 1443 OE1 GLN A 184 8.470 -17.990 11.869 1.00 62.35 O ATOM 1444 NE2 GLN A 184 6.765 -18.264 13.296 1.00 62.24 N ATOM 0 H GLN A 184 7.071 -15.124 8.230 1.00 35.44 H new ATOM 0 HA GLN A 184 5.568 -15.249 10.649 1.00 31.24 H new ATOM 0 HB2 GLN A 184 6.200 -17.090 8.967 1.00 23.34 H new ATOM 0 HB3 GLN A 184 7.793 -17.079 9.697 1.00 23.34 H new ATOM 0 HG2 GLN A 184 5.321 -17.466 11.391 1.00 73.34 H new ATOM 0 HG3 GLN A 184 6.027 -18.808 10.514 1.00 73.34 H new ATOM 0 HE21 GLN A 184 5.755 -18.302 13.436 1.00 62.24 H new ATOM 0 HE22 GLN A 184 7.395 -18.395 14.088 1.00 62.24 H new ATOM 1453 N GLU A 185 8.818 -14.736 10.856 1.00 61.51 N ATOM 1454 CA GLU A 185 9.899 -14.332 11.745 1.00 11.01 C ATOM 1455 C GLU A 185 9.773 -12.861 12.109 1.00 51.45 C ATOM 1456 O GLU A 185 10.026 -12.467 13.246 1.00 4.22 O ATOM 1457 CB GLU A 185 11.257 -14.564 11.078 1.00 2.01 C ATOM 1458 CG GLU A 185 11.473 -15.980 10.577 1.00 71.22 C ATOM 1459 CD GLU A 185 12.818 -16.146 9.897 1.00 2.31 C ATOM 1460 OE1 GLU A 185 13.797 -16.502 10.591 1.00 2.31 O ATOM 1461 OE2 GLU A 185 12.904 -15.912 8.672 1.00 44.40 O ATOM 0 H GLU A 185 9.092 -14.824 9.878 1.00 61.51 H new ATOM 0 HA GLU A 185 9.829 -14.936 12.650 1.00 11.01 H new ATOM 0 HB2 GLU A 185 11.359 -13.875 10.240 1.00 2.01 H new ATOM 0 HB3 GLU A 185 12.045 -14.319 11.790 1.00 2.01 H new ATOM 0 HG2 GLU A 185 11.402 -16.675 11.414 1.00 71.22 H new ATOM 0 HG3 GLU A 185 10.679 -16.242 9.878 1.00 71.22 H new ATOM 1468 N MET A 186 9.370 -12.046 11.140 1.00 74.35 N ATOM 1469 CA MET A 186 9.270 -10.609 11.349 1.00 14.42 C ATOM 1470 C MET A 186 8.145 -10.281 12.324 1.00 21.04 C ATOM 1471 O MET A 186 8.100 -9.187 12.879 1.00 5.43 O ATOM 1472 CB MET A 186 9.068 -9.869 10.022 1.00 45.35 C ATOM 1473 CG MET A 186 7.632 -9.850 9.524 1.00 72.21 C ATOM 1474 SD MET A 186 7.450 -8.940 7.980 1.00 33.11 S ATOM 1475 CE MET A 186 7.955 -7.297 8.488 1.00 64.25 C ATOM 0 H MET A 186 9.108 -12.357 10.204 1.00 74.35 H new ATOM 0 HA MET A 186 10.210 -10.269 11.783 1.00 14.42 H new ATOM 0 HB2 MET A 186 9.413 -8.841 10.137 1.00 45.35 H new ATOM 0 HB3 MET A 186 9.697 -10.333 9.262 1.00 45.35 H new ATOM 0 HG2 MET A 186 7.287 -10.874 9.381 1.00 72.21 H new ATOM 0 HG3 MET A 186 6.993 -9.401 10.284 1.00 72.21 H new ATOM 0 HE1 MET A 186 7.572 -6.563 7.779 1.00 64.25 H new ATOM 0 HE2 MET A 186 7.557 -7.085 9.480 1.00 64.25 H new ATOM 0 HE3 MET A 186 9.043 -7.243 8.514 1.00 64.25 H new