USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 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 69:sc= 0.928 USER MOD Set 1.2: A 128 TYR OH : rot 30:sc= 0.811 USER MOD Set 1.3: A 165 GLN : amide:sc= -0.337 K(o=-0.66,f=-0.006) USER MOD Set 1.4: A 168 HIS : no HD1:sc= -2.07 K(o=-0.66,f=-3.5!) USER MOD Set 2.1: A 119 HIS : no HD1:sc= -3.42! K(o=-5.9!,f=-2.9) USER MOD Set 2.2: A 120 HIS : no HE2:sc= -2.21! C(o=-5.9!,f=-11!) USER MOD Set 2.3: A 171 ASN : amide:sc= -0.239 X(o=-5.9,f=-5.6) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 127 GLN : amide:sc= 1.18 K(o=1.2,f=-0.19) USER MOD Single : A 130 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.07) USER MOD Single : A 137 MET CE :methyl 140:sc= -0.283 (180deg=-0.959) USER MOD Single : A 152 THR OG1 : rot 83:sc= -2.39! USER MOD Single : A 156 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.098) USER MOD Single : A 158 SER OG : rot 170:sc= -0.954 USER MOD Single : A 161 LYS NZ :NH3+ 152:sc= 0.0236 (180deg=-0.179) 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= 0 X(o=0,f=0) USER MOD Single : A 174 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.28) USER MOD Single : A 175 CYS SG : rot 180:sc=-0.00519 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0.43 (180deg=0.43) USER MOD Single : A 182 SER OG : rot 97:sc= 1.27 USER MOD Single : A 183 LYS NZ :NH3+ 167:sc= -0.014 (180deg=-0.165) USER MOD Single : A 184 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.085) USER MOD Single : A 186 MET CE :methyl -163:sc= -0.154 (180deg=-0.74) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.303 -13.673 5.237 1.00 21.13 N ATOM 137 CA VAL A 104 20.069 -13.696 4.472 1.00 74.21 C ATOM 138 C VAL A 104 20.374 -13.994 3.005 1.00 54.24 C ATOM 139 O VAL A 104 21.440 -13.637 2.508 1.00 45.35 O ATOM 140 CB VAL A 104 19.323 -12.346 4.577 1.00 32.20 C ATOM 141 CG1 VAL A 104 17.858 -12.505 4.208 1.00 64.15 C ATOM 142 CG2 VAL A 104 19.461 -11.756 5.973 1.00 54.44 C ATOM 0 HA VAL A 104 19.430 -14.478 4.884 1.00 74.21 H new ATOM 0 HB VAL A 104 19.780 -11.656 3.868 1.00 32.20 H new ATOM 0 HG11 VAL A 104 17.355 -11.541 4.290 1.00 64.15 H new ATOM 0 HG12 VAL A 104 17.778 -12.870 3.184 1.00 64.15 H new ATOM 0 HG13 VAL A 104 17.388 -13.218 4.885 1.00 64.15 H new ATOM 0 HG21 VAL A 104 18.928 -10.807 6.021 1.00 54.44 H new ATOM 0 HG22 VAL A 104 19.039 -12.447 6.703 1.00 54.44 H new ATOM 0 HG23 VAL A 104 20.515 -11.592 6.196 1.00 54.44 H new ATOM 152 N LYS A 105 19.448 -14.659 2.326 1.00 53.01 N ATOM 153 CA LYS A 105 19.622 -15.011 0.920 1.00 73.40 C ATOM 154 C LYS A 105 18.485 -14.434 0.085 1.00 51.45 C ATOM 155 O LYS A 105 18.169 -14.929 -0.996 1.00 0.41 O ATOM 156 CB LYS A 105 19.688 -16.532 0.763 1.00 45.43 C ATOM 157 CG LYS A 105 20.947 -17.142 1.360 1.00 51.31 C ATOM 158 CD LYS A 105 20.654 -18.441 2.092 1.00 51.25 C ATOM 159 CE LYS A 105 19.599 -18.242 3.169 1.00 42.32 C ATOM 160 NZ LYS A 105 19.502 -19.412 4.077 1.00 40.41 N ATOM 0 H LYS A 105 18.563 -14.968 2.728 1.00 53.01 H new ATOM 0 HA LYS A 105 20.560 -14.584 0.563 1.00 73.40 H new ATOM 0 HB2 LYS A 105 18.815 -16.978 1.239 1.00 45.43 H new ATOM 0 HB3 LYS A 105 19.637 -16.784 -0.296 1.00 45.43 H new ATOM 0 HG2 LYS A 105 21.672 -17.327 0.567 1.00 51.31 H new ATOM 0 HG3 LYS A 105 21.403 -16.432 2.049 1.00 51.31 H new ATOM 0 HD2 LYS A 105 20.313 -19.193 1.380 1.00 51.25 H new ATOM 0 HD3 LYS A 105 21.570 -18.821 2.543 1.00 51.25 H new ATOM 0 HE2 LYS A 105 19.838 -17.351 3.750 1.00 42.32 H new ATOM 0 HE3 LYS A 105 18.631 -18.066 2.700 1.00 42.32 H new ATOM 0 HZ1 LYS A 105 18.771 -19.234 4.796 1.00 40.41 H new ATOM 0 HZ2 LYS A 105 19.249 -20.258 3.527 1.00 40.41 H new ATOM 0 HZ3 LYS A 105 20.418 -19.565 4.545 1.00 40.41 H new ATOM 174 N LYS A 106 17.881 -13.378 0.602 1.00 74.34 N ATOM 175 CA LYS A 106 16.805 -12.681 -0.084 1.00 53.15 C ATOM 176 C LYS A 106 16.672 -11.274 0.480 1.00 44.42 C ATOM 177 O LYS A 106 16.722 -11.076 1.693 1.00 22.24 O ATOM 178 CB LYS A 106 15.484 -13.455 0.051 1.00 1.34 C ATOM 179 CG LYS A 106 14.296 -12.768 -0.610 1.00 63.43 C ATOM 180 CD LYS A 106 13.209 -13.762 -0.992 1.00 61.42 C ATOM 181 CE LYS A 106 12.632 -14.482 0.213 1.00 2.45 C ATOM 182 NZ LYS A 106 11.745 -15.604 -0.186 1.00 14.10 N ATOM 0 H LYS A 106 18.122 -12.979 1.509 1.00 74.34 H new ATOM 0 HA LYS A 106 17.041 -12.614 -1.146 1.00 53.15 H new ATOM 0 HB2 LYS A 106 15.608 -14.445 -0.387 1.00 1.34 H new ATOM 0 HB3 LYS A 106 15.265 -13.599 1.109 1.00 1.34 H new ATOM 0 HG2 LYS A 106 13.884 -12.022 0.069 1.00 63.43 H new ATOM 0 HG3 LYS A 106 14.632 -12.237 -1.501 1.00 63.43 H new ATOM 0 HD2 LYS A 106 12.409 -13.238 -1.516 1.00 61.42 H new ATOM 0 HD3 LYS A 106 13.619 -14.495 -1.687 1.00 61.42 H new ATOM 0 HE2 LYS A 106 13.444 -14.864 0.832 1.00 2.45 H new ATOM 0 HE3 LYS A 106 12.071 -13.775 0.824 1.00 2.45 H new ATOM 0 HZ1 LYS A 106 11.371 -16.070 0.665 1.00 14.10 H new ATOM 0 HZ2 LYS A 106 10.956 -15.237 -0.755 1.00 14.10 H new ATOM 0 HZ3 LYS A 106 12.286 -16.292 -0.748 1.00 14.10 H new ATOM 196 N ILE A 107 16.533 -10.298 -0.398 1.00 4.30 N ATOM 197 CA ILE A 107 16.430 -8.912 0.023 1.00 54.42 C ATOM 198 C ILE A 107 15.003 -8.399 -0.126 1.00 53.53 C ATOM 199 O ILE A 107 14.201 -8.969 -0.871 1.00 31.32 O ATOM 200 CB ILE A 107 17.360 -7.999 -0.785 1.00 72.11 C ATOM 201 CG1 ILE A 107 16.908 -7.948 -2.234 1.00 0.52 C ATOM 202 CG2 ILE A 107 18.799 -8.479 -0.699 1.00 35.12 C ATOM 203 CD1 ILE A 107 17.230 -6.639 -2.888 1.00 61.34 C ATOM 0 H ILE A 107 16.489 -10.439 -1.407 1.00 4.30 H new ATOM 0 HA ILE A 107 16.727 -8.886 1.071 1.00 54.42 H new ATOM 0 HB ILE A 107 17.311 -6.996 -0.361 1.00 72.11 H new ATOM 0 HG12 ILE A 107 17.386 -8.755 -2.789 1.00 0.52 H new ATOM 0 HG13 ILE A 107 15.833 -8.120 -2.282 1.00 0.52 H new ATOM 0 HG21 ILE A 107 19.439 -7.815 -1.280 1.00 35.12 H new ATOM 0 HG22 ILE A 107 19.122 -8.475 0.342 1.00 35.12 H new ATOM 0 HG23 ILE A 107 18.869 -9.491 -1.097 1.00 35.12 H new ATOM 0 HD11 ILE A 107 16.886 -6.655 -3.922 1.00 61.34 H new ATOM 0 HD12 ILE A 107 16.731 -5.832 -2.352 1.00 61.34 H new ATOM 0 HD13 ILE A 107 18.308 -6.477 -2.866 1.00 61.34 H new ATOM 215 N PHE A 108 14.703 -7.320 0.578 1.00 3.52 N ATOM 216 CA PHE A 108 13.386 -6.707 0.527 1.00 3.24 C ATOM 217 C PHE A 108 13.444 -5.404 -0.255 1.00 44.14 C ATOM 218 O PHE A 108 14.168 -4.483 0.121 1.00 2.33 O ATOM 219 CB PHE A 108 12.866 -6.440 1.943 1.00 31.34 C ATOM 220 CG PHE A 108 11.555 -5.706 1.974 1.00 61.51 C ATOM 221 CD1 PHE A 108 10.405 -6.291 1.469 1.00 2.40 C ATOM 222 CD2 PHE A 108 11.474 -4.430 2.509 1.00 64.34 C ATOM 223 CE1 PHE A 108 9.199 -5.619 1.496 1.00 61.11 C ATOM 224 CE2 PHE A 108 10.270 -3.753 2.539 1.00 31.32 C ATOM 225 CZ PHE A 108 9.131 -4.348 2.032 1.00 32.41 C ATOM 0 H PHE A 108 15.361 -6.847 1.197 1.00 3.52 H new ATOM 0 HA PHE A 108 12.704 -7.394 0.025 1.00 3.24 H new ATOM 0 HB2 PHE A 108 12.753 -7.390 2.465 1.00 31.34 H new ATOM 0 HB3 PHE A 108 13.610 -5.862 2.491 1.00 31.34 H new ATOM 0 HD1 PHE A 108 10.452 -7.285 1.049 1.00 2.40 H new ATOM 0 HD2 PHE A 108 12.361 -3.960 2.907 1.00 64.34 H new ATOM 0 HE1 PHE A 108 8.310 -6.087 1.099 1.00 61.11 H new ATOM 0 HE2 PHE A 108 10.219 -2.759 2.959 1.00 31.32 H new ATOM 0 HZ PHE A 108 8.189 -3.820 2.055 1.00 32.41 H new ATOM 235 N VAL A 109 12.693 -5.335 -1.341 1.00 5.20 N ATOM 236 CA VAL A 109 12.635 -4.131 -2.149 1.00 42.21 C ATOM 237 C VAL A 109 11.362 -3.351 -1.847 1.00 62.30 C ATOM 238 O VAL A 109 10.271 -3.723 -2.286 1.00 64.15 O ATOM 239 CB VAL A 109 12.691 -4.450 -3.659 1.00 53.31 C ATOM 240 CG1 VAL A 109 12.732 -3.168 -4.478 1.00 71.40 C ATOM 241 CG2 VAL A 109 13.890 -5.330 -3.980 1.00 72.32 C ATOM 0 H VAL A 109 12.114 -6.102 -1.683 1.00 5.20 H new ATOM 0 HA VAL A 109 13.507 -3.529 -1.893 1.00 42.21 H new ATOM 0 HB VAL A 109 11.786 -4.997 -3.925 1.00 53.31 H new ATOM 0 HG11 VAL A 109 12.771 -3.415 -5.539 1.00 71.40 H new ATOM 0 HG12 VAL A 109 11.838 -2.578 -4.276 1.00 71.40 H new ATOM 0 HG13 VAL A 109 13.616 -2.591 -4.207 1.00 71.40 H new ATOM 0 HG21 VAL A 109 13.910 -5.542 -5.049 1.00 72.32 H new ATOM 0 HG22 VAL A 109 14.807 -4.814 -3.696 1.00 72.32 H new ATOM 0 HG23 VAL A 109 13.814 -6.265 -3.426 1.00 72.32 H new ATOM 251 N GLY A 110 11.505 -2.282 -1.082 1.00 63.44 N ATOM 252 CA GLY A 110 10.377 -1.439 -0.759 1.00 22.33 C ATOM 253 C GLY A 110 10.649 0.004 -1.120 1.00 32.33 C ATOM 254 O GLY A 110 11.730 0.331 -1.612 1.00 5.30 O ATOM 0 H GLY A 110 12.391 -1.982 -0.676 1.00 63.44 H new ATOM 0 HA2 GLY A 110 9.494 -1.789 -1.293 1.00 22.33 H new ATOM 0 HA3 GLY A 110 10.157 -1.515 0.306 1.00 22.33 H new ATOM 347 N GLU A 117 8.920 -4.961 -12.017 1.00 32.50 N ATOM 348 CA GLU A 117 8.757 -6.394 -12.227 1.00 52.32 C ATOM 349 C GLU A 117 10.066 -7.146 -11.998 1.00 34.24 C ATOM 350 O GLU A 117 11.083 -6.549 -11.641 1.00 53.12 O ATOM 351 CB GLU A 117 8.219 -6.667 -13.633 1.00 61.32 C ATOM 352 CG GLU A 117 9.190 -6.331 -14.748 1.00 75.14 C ATOM 353 CD GLU A 117 8.591 -6.549 -16.120 1.00 44.44 C ATOM 354 OE1 GLU A 117 8.767 -7.652 -16.678 1.00 34.31 O ATOM 355 OE2 GLU A 117 7.942 -5.622 -16.648 1.00 15.12 O ATOM 0 HA GLU A 117 8.035 -6.759 -11.496 1.00 52.32 H new ATOM 0 HB2 GLU A 117 7.948 -7.720 -13.708 1.00 61.32 H new ATOM 0 HB3 GLU A 117 7.305 -6.092 -13.778 1.00 61.32 H new ATOM 0 HG2 GLU A 117 9.503 -5.291 -14.652 1.00 75.14 H new ATOM 0 HG3 GLU A 117 10.085 -6.944 -14.644 1.00 75.14 H new ATOM 362 N GLU A 118 10.032 -8.458 -12.220 1.00 75.40 N ATOM 363 CA GLU A 118 11.180 -9.316 -11.964 1.00 13.21 C ATOM 364 C GLU A 118 12.390 -8.888 -12.779 1.00 50.01 C ATOM 365 O GLU A 118 13.497 -8.787 -12.248 1.00 44.15 O ATOM 366 CB GLU A 118 10.830 -10.782 -12.251 1.00 72.35 C ATOM 367 CG GLU A 118 12.043 -11.663 -12.510 1.00 32.32 C ATOM 368 CD GLU A 118 11.725 -13.138 -12.453 1.00 35.05 C ATOM 369 OE1 GLU A 118 10.958 -13.622 -13.310 1.00 14.51 O ATOM 370 OE2 GLU A 118 12.253 -13.825 -11.555 1.00 14.40 O ATOM 0 H GLU A 118 9.214 -8.950 -12.579 1.00 75.40 H new ATOM 0 HA GLU A 118 11.439 -9.217 -10.910 1.00 13.21 H new ATOM 0 HB2 GLU A 118 10.274 -11.185 -11.405 1.00 72.35 H new ATOM 0 HB3 GLU A 118 10.169 -10.825 -13.117 1.00 72.35 H new ATOM 0 HG2 GLU A 118 12.456 -11.424 -13.490 1.00 32.32 H new ATOM 0 HG3 GLU A 118 12.814 -11.435 -11.775 1.00 32.32 H new ATOM 377 N HIS A 119 12.172 -8.622 -14.061 1.00 21.40 N ATOM 378 CA HIS A 119 13.258 -8.239 -14.952 1.00 32.10 C ATOM 379 C HIS A 119 13.931 -6.954 -14.464 1.00 41.31 C ATOM 380 O HIS A 119 15.115 -6.738 -14.707 1.00 13.42 O ATOM 381 CB HIS A 119 12.747 -8.098 -16.403 1.00 2.34 C ATOM 382 CG HIS A 119 12.667 -6.692 -16.926 1.00 12.14 C ATOM 383 ND1 HIS A 119 13.736 -6.102 -17.557 1.00 43.15 N ATOM 384 CD2 HIS A 119 11.640 -5.813 -16.884 1.00 1.43 C ATOM 385 CE1 HIS A 119 13.336 -4.886 -17.882 1.00 44.21 C ATOM 386 NE2 HIS A 119 12.074 -4.667 -17.495 1.00 24.03 N ATOM 0 H HIS A 119 11.255 -8.665 -14.505 1.00 21.40 H new ATOM 0 HA HIS A 119 14.010 -9.028 -14.942 1.00 32.10 H new ATOM 0 HB2 HIS A 119 13.401 -8.674 -17.058 1.00 2.34 H new ATOM 0 HB3 HIS A 119 11.756 -8.548 -16.466 1.00 2.34 H new ATOM 0 HD2 HIS A 119 10.665 -5.982 -16.452 1.00 1.43 H new ATOM 0 HE1 HIS A 119 13.950 -4.160 -18.395 1.00 44.21 H new ATOM 0 HE2 HIS A 119 11.538 -3.810 -17.629 1.00 24.03 H new ATOM 394 N HIS A 120 13.175 -6.118 -13.757 1.00 64.21 N ATOM 395 CA HIS A 120 13.703 -4.863 -13.239 1.00 42.24 C ATOM 396 C HIS A 120 14.657 -5.110 -12.074 1.00 64.13 C ATOM 397 O HIS A 120 15.836 -4.763 -12.152 1.00 14.23 O ATOM 398 CB HIS A 120 12.570 -3.936 -12.795 1.00 4.32 C ATOM 399 CG HIS A 120 11.804 -3.329 -13.925 1.00 21.15 C ATOM 400 ND1 HIS A 120 10.452 -3.520 -14.054 1.00 44.01 N ATOM 401 CD2 HIS A 120 12.240 -2.538 -14.933 1.00 15.44 C ATOM 402 CE1 HIS A 120 10.095 -2.846 -15.133 1.00 14.45 C ATOM 403 NE2 HIS A 120 11.145 -2.237 -15.699 1.00 2.34 N ATOM 0 H HIS A 120 12.195 -6.289 -13.531 1.00 64.21 H new ATOM 0 HA HIS A 120 14.255 -4.381 -14.046 1.00 42.24 H new ATOM 0 HB2 HIS A 120 11.882 -4.497 -12.163 1.00 4.32 H new ATOM 0 HB3 HIS A 120 12.987 -3.137 -12.182 1.00 4.32 H new ATOM 0 HD1 HIS A 120 9.847 -4.069 -13.443 1.00 44.01 H new ATOM 0 HD2 HIS A 120 13.255 -2.208 -15.101 1.00 15.44 H new ATOM 0 HE1 HIS A 120 9.085 -2.793 -15.511 1.00 14.45 H new ATOM 411 N LEU A 121 14.147 -5.721 -11.001 1.00 12.52 N ATOM 412 CA LEU A 121 14.967 -5.997 -9.821 1.00 21.32 C ATOM 413 C LEU A 121 16.174 -6.845 -10.204 1.00 63.04 C ATOM 414 O LEU A 121 17.311 -6.520 -9.862 1.00 70.52 O ATOM 415 CB LEU A 121 14.177 -6.721 -8.714 1.00 71.11 C ATOM 416 CG LEU A 121 13.105 -5.906 -7.967 1.00 50.30 C ATOM 417 CD1 LEU A 121 13.457 -4.427 -7.914 1.00 54.33 C ATOM 418 CD2 LEU A 121 11.731 -6.122 -8.578 1.00 4.53 C ATOM 0 H LEU A 121 13.178 -6.031 -10.926 1.00 12.52 H new ATOM 0 HA LEU A 121 15.291 -5.032 -9.430 1.00 21.32 H new ATOM 0 HB2 LEU A 121 13.692 -7.590 -9.158 1.00 71.11 H new ATOM 0 HB3 LEU A 121 14.890 -7.095 -7.979 1.00 71.11 H new ATOM 0 HG LEU A 121 13.077 -6.269 -6.939 1.00 50.30 H new ATOM 0 HD11 LEU A 121 12.676 -3.886 -7.379 1.00 54.33 H new ATOM 0 HD12 LEU A 121 14.408 -4.298 -7.397 1.00 54.33 H new ATOM 0 HD13 LEU A 121 13.539 -4.036 -8.928 1.00 54.33 H new ATOM 0 HD21 LEU A 121 10.993 -5.535 -8.031 1.00 4.53 H new ATOM 0 HD22 LEU A 121 11.743 -5.808 -9.622 1.00 4.53 H new ATOM 0 HD23 LEU A 121 11.469 -7.178 -8.520 1.00 4.53 H new ATOM 430 N ARG A 122 15.915 -7.922 -10.936 1.00 34.12 N ATOM 431 CA ARG A 122 16.964 -8.841 -11.354 1.00 24.52 C ATOM 432 C ARG A 122 18.051 -8.115 -12.136 1.00 1.45 C ATOM 433 O ARG A 122 19.230 -8.310 -11.874 1.00 13.44 O ATOM 434 CB ARG A 122 16.369 -9.970 -12.202 1.00 21.43 C ATOM 435 CG ARG A 122 17.410 -10.883 -12.834 1.00 43.34 C ATOM 436 CD ARG A 122 17.461 -12.243 -12.151 1.00 55.14 C ATOM 437 NE ARG A 122 16.156 -12.912 -12.120 1.00 24.41 N ATOM 438 CZ ARG A 122 16.000 -14.231 -11.965 1.00 73.25 C ATOM 439 NH1 ARG A 122 17.060 -15.029 -11.892 1.00 5.21 N ATOM 440 NH2 ARG A 122 14.782 -14.758 -11.890 1.00 24.10 N ATOM 0 H ARG A 122 14.981 -8.180 -11.254 1.00 34.12 H new ATOM 0 HA ARG A 122 17.418 -9.267 -10.459 1.00 24.52 H new ATOM 0 HB2 ARG A 122 15.706 -10.569 -11.578 1.00 21.43 H new ATOM 0 HB3 ARG A 122 15.756 -9.534 -12.991 1.00 21.43 H new ATOM 0 HG2 ARG A 122 17.182 -11.016 -13.892 1.00 43.34 H new ATOM 0 HG3 ARG A 122 18.391 -10.411 -12.776 1.00 43.34 H new ATOM 0 HD2 ARG A 122 18.178 -12.879 -12.670 1.00 55.14 H new ATOM 0 HD3 ARG A 122 17.825 -12.119 -11.131 1.00 55.14 H new ATOM 0 HE ARG A 122 15.319 -12.338 -12.223 1.00 24.41 H new ATOM 0 HH11 ARG A 122 17.999 -14.636 -11.954 1.00 5.21 H new ATOM 0 HH12 ARG A 122 16.934 -16.034 -11.774 1.00 5.21 H new ATOM 0 HH21 ARG A 122 13.961 -14.156 -11.951 1.00 24.10 H new ATOM 0 HH22 ARG A 122 14.668 -15.765 -11.772 1.00 24.10 H new ATOM 454 N ASP A 123 17.647 -7.251 -13.061 1.00 14.13 N ATOM 455 CA ASP A 123 18.592 -6.557 -13.939 1.00 62.12 C ATOM 456 C ASP A 123 19.589 -5.729 -13.139 1.00 73.13 C ATOM 457 O ASP A 123 20.735 -5.559 -13.546 1.00 72.24 O ATOM 458 CB ASP A 123 17.840 -5.659 -14.921 1.00 13.12 C ATOM 459 CG ASP A 123 18.755 -4.899 -15.858 1.00 44.25 C ATOM 460 OD1 ASP A 123 19.382 -5.537 -16.733 1.00 25.23 O ATOM 461 OD2 ASP A 123 18.820 -3.657 -15.747 1.00 33.14 O ATOM 0 H ASP A 123 16.669 -7.012 -13.225 1.00 14.13 H new ATOM 0 HA ASP A 123 19.147 -7.313 -14.494 1.00 62.12 H new ATOM 0 HB2 ASP A 123 17.155 -6.269 -15.509 1.00 13.12 H new ATOM 0 HB3 ASP A 123 17.233 -4.948 -14.361 1.00 13.12 H new ATOM 466 N TYR A 124 19.155 -5.228 -11.995 1.00 20.21 N ATOM 467 CA TYR A 124 20.027 -4.435 -11.145 1.00 13.33 C ATOM 468 C TYR A 124 20.829 -5.325 -10.198 1.00 20.33 C ATOM 469 O TYR A 124 22.048 -5.213 -10.106 1.00 44.14 O ATOM 470 CB TYR A 124 19.209 -3.415 -10.349 1.00 73.14 C ATOM 471 CG TYR A 124 20.037 -2.547 -9.423 1.00 43.32 C ATOM 472 CD1 TYR A 124 19.955 -2.697 -8.044 1.00 30.11 C ATOM 473 CD2 TYR A 124 20.897 -1.580 -9.926 1.00 64.14 C ATOM 474 CE1 TYR A 124 20.705 -1.909 -7.194 1.00 1.13 C ATOM 475 CE2 TYR A 124 21.654 -0.789 -9.081 1.00 41.31 C ATOM 476 CZ TYR A 124 21.553 -0.958 -7.716 1.00 11.43 C ATOM 477 OH TYR A 124 22.302 -0.174 -6.868 1.00 63.22 O ATOM 0 H TYR A 124 18.209 -5.355 -11.635 1.00 20.21 H new ATOM 0 HA TYR A 124 20.730 -3.902 -11.785 1.00 13.33 H new ATOM 0 HB2 TYR A 124 18.670 -2.773 -11.046 1.00 73.14 H new ATOM 0 HB3 TYR A 124 18.460 -3.945 -9.760 1.00 73.14 H new ATOM 0 HD1 TYR A 124 19.293 -3.443 -7.630 1.00 30.11 H new ATOM 0 HD2 TYR A 124 20.976 -1.443 -10.994 1.00 64.14 H new ATOM 0 HE1 TYR A 124 20.627 -2.038 -6.125 1.00 1.13 H new ATOM 0 HE2 TYR A 124 22.321 -0.043 -9.488 1.00 41.31 H new ATOM 0 HH TYR A 124 22.987 -0.724 -6.434 1.00 63.22 H new ATOM 487 N PHE A 125 20.147 -6.231 -9.519 1.00 45.41 N ATOM 488 CA PHE A 125 20.769 -7.004 -8.450 1.00 62.43 C ATOM 489 C PHE A 125 21.642 -8.146 -8.981 1.00 21.33 C ATOM 490 O PHE A 125 22.446 -8.717 -8.240 1.00 11.45 O ATOM 491 CB PHE A 125 19.692 -7.529 -7.500 1.00 21.32 C ATOM 492 CG PHE A 125 18.979 -6.427 -6.763 1.00 4.11 C ATOM 493 CD1 PHE A 125 17.635 -6.176 -6.982 1.00 50.35 C ATOM 494 CD2 PHE A 125 19.666 -5.623 -5.870 1.00 2.21 C ATOM 495 CE1 PHE A 125 16.990 -5.147 -6.322 1.00 22.14 C ATOM 496 CE2 PHE A 125 19.028 -4.595 -5.204 1.00 61.44 C ATOM 497 CZ PHE A 125 17.687 -4.355 -5.432 1.00 33.44 C ATOM 0 H PHE A 125 19.165 -6.451 -9.686 1.00 45.41 H new ATOM 0 HA PHE A 125 21.438 -6.338 -7.904 1.00 62.43 H new ATOM 0 HB2 PHE A 125 18.965 -8.110 -8.067 1.00 21.32 H new ATOM 0 HB3 PHE A 125 20.149 -8.206 -6.779 1.00 21.32 H new ATOM 0 HD1 PHE A 125 17.084 -6.792 -7.677 1.00 50.35 H new ATOM 0 HD2 PHE A 125 20.716 -5.802 -5.691 1.00 2.21 H new ATOM 0 HE1 PHE A 125 15.941 -4.963 -6.503 1.00 22.14 H new ATOM 0 HE2 PHE A 125 19.577 -3.980 -4.506 1.00 61.44 H new ATOM 0 HZ PHE A 125 17.185 -3.550 -4.915 1.00 33.44 H new ATOM 507 N GLU A 126 21.501 -8.468 -10.262 1.00 41.41 N ATOM 508 CA GLU A 126 22.288 -9.541 -10.871 1.00 54.15 C ATOM 509 C GLU A 126 23.777 -9.204 -10.896 1.00 23.02 C ATOM 510 O GLU A 126 24.618 -10.100 -10.913 1.00 40.12 O ATOM 511 CB GLU A 126 21.775 -9.854 -12.283 1.00 15.00 C ATOM 512 CG GLU A 126 21.843 -8.691 -13.266 1.00 52.24 C ATOM 513 CD GLU A 126 23.106 -8.695 -14.098 1.00 21.41 C ATOM 514 OE1 GLU A 126 23.946 -7.788 -13.923 1.00 33.14 O ATOM 515 OE2 GLU A 126 23.267 -9.611 -14.932 1.00 60.12 O ATOM 0 H GLU A 126 20.853 -8.005 -10.899 1.00 41.41 H new ATOM 0 HA GLU A 126 22.166 -10.431 -10.254 1.00 54.15 H new ATOM 0 HB2 GLU A 126 22.352 -10.686 -12.687 1.00 15.00 H new ATOM 0 HB3 GLU A 126 20.740 -10.189 -12.211 1.00 15.00 H new ATOM 0 HG2 GLU A 126 20.978 -8.731 -13.928 1.00 52.24 H new ATOM 0 HG3 GLU A 126 21.780 -7.752 -12.715 1.00 52.24 H new ATOM 522 N GLN A 127 24.101 -7.916 -10.886 1.00 43.24 N ATOM 523 CA GLN A 127 25.498 -7.484 -10.895 1.00 1.31 C ATOM 524 C GLN A 127 26.149 -7.743 -9.540 1.00 45.22 C ATOM 525 O GLN A 127 27.374 -7.792 -9.425 1.00 20.23 O ATOM 526 CB GLN A 127 25.608 -5.998 -11.258 1.00 33.31 C ATOM 527 CG GLN A 127 25.217 -5.055 -10.131 1.00 22.13 C ATOM 528 CD GLN A 127 24.986 -3.640 -10.613 1.00 43.43 C ATOM 529 OE1 GLN A 127 25.907 -2.822 -10.665 1.00 32.41 O ATOM 530 NE2 GLN A 127 23.747 -3.347 -10.956 1.00 62.51 N ATOM 0 H GLN A 127 23.422 -7.155 -10.872 1.00 43.24 H new ATOM 0 HA GLN A 127 26.024 -8.064 -11.653 1.00 1.31 H new ATOM 0 HB2 GLN A 127 26.633 -5.783 -11.558 1.00 33.31 H new ATOM 0 HB3 GLN A 127 24.974 -5.798 -12.122 1.00 33.31 H new ATOM 0 HG2 GLN A 127 24.311 -5.424 -9.651 1.00 22.13 H new ATOM 0 HG3 GLN A 127 26.001 -5.054 -9.374 1.00 22.13 H new ATOM 0 HE21 GLN A 127 23.019 -4.059 -10.896 1.00 62.51 H new ATOM 0 HE22 GLN A 127 23.516 -2.408 -11.282 1.00 62.51 H new ATOM 539 N TYR A 128 25.322 -7.910 -8.518 1.00 24.35 N ATOM 540 CA TYR A 128 25.813 -8.156 -7.173 1.00 31.13 C ATOM 541 C TYR A 128 26.113 -9.634 -6.978 1.00 32.30 C ATOM 542 O TYR A 128 27.056 -9.999 -6.275 1.00 65.45 O ATOM 543 CB TYR A 128 24.796 -7.687 -6.134 1.00 65.43 C ATOM 544 CG TYR A 128 24.633 -6.185 -6.073 1.00 41.51 C ATOM 545 CD1 TYR A 128 25.367 -5.432 -5.171 1.00 4.25 C ATOM 546 CD2 TYR A 128 23.736 -5.525 -6.904 1.00 1.41 C ATOM 547 CE1 TYR A 128 25.217 -4.060 -5.094 1.00 43.42 C ATOM 548 CE2 TYR A 128 23.580 -4.153 -6.838 1.00 73.22 C ATOM 549 CZ TYR A 128 24.323 -3.424 -5.932 1.00 33.22 C ATOM 550 OH TYR A 128 24.166 -2.056 -5.860 1.00 64.34 O ATOM 0 H TYR A 128 24.306 -7.879 -8.597 1.00 24.35 H new ATOM 0 HA TYR A 128 26.735 -7.590 -7.039 1.00 31.13 H new ATOM 0 HB2 TYR A 128 23.829 -8.139 -6.356 1.00 65.43 H new ATOM 0 HB3 TYR A 128 25.100 -8.050 -5.152 1.00 65.43 H new ATOM 0 HD1 TYR A 128 26.069 -5.926 -4.516 1.00 4.25 H new ATOM 0 HD2 TYR A 128 23.151 -6.093 -7.613 1.00 1.41 H new ATOM 0 HE1 TYR A 128 25.796 -3.489 -4.383 1.00 43.42 H new ATOM 0 HE2 TYR A 128 22.880 -3.654 -7.492 1.00 73.22 H new ATOM 0 HH TYR A 128 25.008 -1.645 -5.572 1.00 64.34 H new ATOM 560 N GLY A 129 25.307 -10.481 -7.601 1.00 11.11 N ATOM 561 CA GLY A 129 25.535 -11.906 -7.516 1.00 11.02 C ATOM 562 C GLY A 129 24.491 -12.705 -8.259 1.00 72.53 C ATOM 563 O GLY A 129 23.709 -12.152 -9.035 1.00 52.42 O ATOM 0 H GLY A 129 24.501 -10.206 -8.163 1.00 11.11 H new ATOM 0 HA2 GLY A 129 26.520 -12.138 -7.920 1.00 11.02 H new ATOM 0 HA3 GLY A 129 25.541 -12.208 -6.469 1.00 11.02 H new ATOM 567 N LYS A 130 24.482 -14.007 -8.021 1.00 4.02 N ATOM 568 CA LYS A 130 23.547 -14.902 -8.668 1.00 12.22 C ATOM 569 C LYS A 130 22.169 -14.811 -8.031 1.00 74.11 C ATOM 570 O LYS A 130 22.004 -15.036 -6.827 1.00 3.40 O ATOM 571 CB LYS A 130 24.065 -16.334 -8.598 1.00 53.12 C ATOM 572 CG LYS A 130 23.008 -17.367 -8.920 1.00 73.33 C ATOM 573 CD LYS A 130 23.571 -18.768 -8.898 1.00 13.32 C ATOM 574 CE LYS A 130 22.476 -19.783 -9.139 1.00 73.31 C ATOM 575 NZ LYS A 130 22.919 -21.164 -8.821 1.00 74.10 N ATOM 0 H LYS A 130 25.122 -14.468 -7.375 1.00 4.02 H new ATOM 0 HA LYS A 130 23.456 -14.603 -9.712 1.00 12.22 H new ATOM 0 HB2 LYS A 130 24.897 -16.447 -9.293 1.00 53.12 H new ATOM 0 HB3 LYS A 130 24.456 -16.523 -7.598 1.00 53.12 H new ATOM 0 HG2 LYS A 130 22.193 -17.291 -8.200 1.00 73.33 H new ATOM 0 HG3 LYS A 130 22.585 -17.160 -9.903 1.00 73.33 H new ATOM 0 HD2 LYS A 130 24.342 -18.868 -9.662 1.00 13.32 H new ATOM 0 HD3 LYS A 130 24.047 -18.960 -7.937 1.00 13.32 H new ATOM 0 HE2 LYS A 130 21.608 -19.531 -8.530 1.00 73.31 H new ATOM 0 HE3 LYS A 130 22.159 -19.735 -10.181 1.00 73.31 H new ATOM 0 HZ1 LYS A 130 22.099 -21.804 -8.836 1.00 74.10 H new ATOM 0 HZ2 LYS A 130 23.615 -21.477 -9.528 1.00 74.10 H new ATOM 0 HZ3 LYS A 130 23.354 -21.180 -7.876 1.00 74.10 H new ATOM 589 N ILE A 131 21.183 -14.492 -8.848 1.00 33.51 N ATOM 590 CA ILE A 131 19.819 -14.381 -8.381 1.00 35.42 C ATOM 591 C ILE A 131 19.053 -15.666 -8.662 1.00 61.32 C ATOM 592 O ILE A 131 19.092 -16.199 -9.770 1.00 45.24 O ATOM 593 CB ILE A 131 19.094 -13.202 -9.051 1.00 41.43 C ATOM 594 CG1 ILE A 131 19.893 -11.913 -8.854 1.00 0.31 C ATOM 595 CG2 ILE A 131 17.692 -13.056 -8.483 1.00 14.14 C ATOM 596 CD1 ILE A 131 19.232 -10.696 -9.453 1.00 44.41 C ATOM 0 H ILE A 131 21.305 -14.305 -9.843 1.00 33.51 H new ATOM 0 HA ILE A 131 19.855 -14.205 -7.306 1.00 35.42 H new ATOM 0 HB ILE A 131 19.013 -13.398 -10.120 1.00 41.43 H new ATOM 0 HG12 ILE A 131 20.042 -11.747 -7.787 1.00 0.31 H new ATOM 0 HG13 ILE A 131 20.881 -12.036 -9.299 1.00 0.31 H new ATOM 0 HG21 ILE A 131 17.189 -12.218 -8.966 1.00 14.14 H new ATOM 0 HG22 ILE A 131 17.128 -13.971 -8.665 1.00 14.14 H new ATOM 0 HG23 ILE A 131 17.751 -12.874 -7.410 1.00 14.14 H new ATOM 0 HD11 ILE A 131 19.855 -9.819 -9.275 1.00 44.41 H new ATOM 0 HD12 ILE A 131 19.107 -10.841 -10.526 1.00 44.41 H new ATOM 0 HD13 ILE A 131 18.256 -10.548 -8.991 1.00 44.41 H new ATOM 608 N GLU A 132 18.373 -16.158 -7.647 1.00 5.41 N ATOM 609 CA GLU A 132 17.541 -17.339 -7.777 1.00 63.51 C ATOM 610 C GLU A 132 16.215 -16.990 -8.453 1.00 13.33 C ATOM 611 O GLU A 132 16.001 -17.316 -9.620 1.00 33.33 O ATOM 612 CB GLU A 132 17.306 -17.951 -6.397 1.00 75.22 C ATOM 613 CG GLU A 132 18.470 -18.788 -5.905 1.00 23.41 C ATOM 614 CD GLU A 132 18.525 -20.148 -6.564 1.00 65.21 C ATOM 615 OE1 GLU A 132 19.075 -20.253 -7.679 1.00 34.10 O ATOM 616 OE2 GLU A 132 18.017 -21.118 -5.967 1.00 64.53 O ATOM 0 H GLU A 132 18.380 -15.753 -6.711 1.00 5.41 H new ATOM 0 HA GLU A 132 18.051 -18.070 -8.404 1.00 63.51 H new ATOM 0 HB2 GLU A 132 17.114 -17.152 -5.681 1.00 75.22 H new ATOM 0 HB3 GLU A 132 16.410 -18.571 -6.430 1.00 75.22 H new ATOM 0 HG2 GLU A 132 19.402 -18.257 -6.097 1.00 23.41 H new ATOM 0 HG3 GLU A 132 18.392 -18.914 -4.825 1.00 23.41 H new ATOM 623 N VAL A 133 15.345 -16.297 -7.729 1.00 11.14 N ATOM 624 CA VAL A 133 14.030 -15.921 -8.247 1.00 10.33 C ATOM 625 C VAL A 133 13.607 -14.558 -7.708 1.00 24.15 C ATOM 626 O VAL A 133 13.957 -14.190 -6.583 1.00 4.24 O ATOM 627 CB VAL A 133 12.933 -16.958 -7.891 1.00 64.13 C ATOM 628 CG1 VAL A 133 13.129 -18.255 -8.662 1.00 22.13 C ATOM 629 CG2 VAL A 133 12.909 -17.230 -6.392 1.00 3.53 C ATOM 0 H VAL A 133 15.525 -15.981 -6.776 1.00 11.14 H new ATOM 0 HA VAL A 133 14.129 -15.884 -9.332 1.00 10.33 H new ATOM 0 HB VAL A 133 11.972 -16.533 -8.181 1.00 64.13 H new ATOM 0 HG11 VAL A 133 12.345 -18.962 -8.391 1.00 22.13 H new ATOM 0 HG12 VAL A 133 13.081 -18.053 -9.732 1.00 22.13 H new ATOM 0 HG13 VAL A 133 14.102 -18.681 -8.416 1.00 22.13 H new ATOM 0 HG21 VAL A 133 12.132 -17.960 -6.167 1.00 3.53 H new ATOM 0 HG22 VAL A 133 13.877 -17.621 -6.078 1.00 3.53 H new ATOM 0 HG23 VAL A 133 12.702 -16.303 -5.857 1.00 3.53 H new ATOM 639 N ILE A 134 12.868 -13.808 -8.511 1.00 53.13 N ATOM 640 CA ILE A 134 12.360 -12.515 -8.080 1.00 72.41 C ATOM 641 C ILE A 134 10.888 -12.631 -7.723 1.00 2.53 C ATOM 642 O ILE A 134 10.041 -12.785 -8.602 1.00 12.25 O ATOM 643 CB ILE A 134 12.519 -11.437 -9.171 1.00 64.11 C ATOM 644 CG1 ILE A 134 13.956 -11.389 -9.687 1.00 22.44 C ATOM 645 CG2 ILE A 134 12.109 -10.073 -8.635 1.00 60.00 C ATOM 646 CD1 ILE A 134 14.956 -10.955 -8.650 1.00 31.12 C ATOM 0 H ILE A 134 12.607 -14.071 -9.461 1.00 53.13 H new ATOM 0 HA ILE A 134 12.944 -12.214 -7.210 1.00 72.41 H new ATOM 0 HB ILE A 134 11.865 -11.700 -10.002 1.00 64.11 H new ATOM 0 HG12 ILE A 134 14.234 -12.376 -10.056 1.00 22.44 H new ATOM 0 HG13 ILE A 134 14.006 -10.706 -10.535 1.00 22.44 H new ATOM 0 HG21 ILE A 134 12.227 -9.324 -9.418 1.00 60.00 H new ATOM 0 HG22 ILE A 134 11.067 -10.105 -8.318 1.00 60.00 H new ATOM 0 HG23 ILE A 134 12.739 -9.812 -7.785 1.00 60.00 H new ATOM 0 HD11 ILE A 134 15.954 -10.945 -9.089 1.00 31.12 H new ATOM 0 HD12 ILE A 134 14.704 -9.955 -8.298 1.00 31.12 H new ATOM 0 HD13 ILE A 134 14.936 -11.651 -7.811 1.00 31.12 H new ATOM 658 N GLU A 135 10.585 -12.572 -6.440 1.00 31.14 N ATOM 659 CA GLU A 135 9.209 -12.644 -5.991 1.00 42.51 C ATOM 660 C GLU A 135 8.586 -11.258 -6.017 1.00 31.03 C ATOM 661 O GLU A 135 8.859 -10.432 -5.155 1.00 34.03 O ATOM 662 CB GLU A 135 9.113 -13.239 -4.583 1.00 44.43 C ATOM 663 CG GLU A 135 9.602 -14.677 -4.488 1.00 31.32 C ATOM 664 CD GLU A 135 9.270 -15.316 -3.155 1.00 72.44 C ATOM 665 OE1 GLU A 135 10.164 -15.391 -2.285 1.00 44.21 O ATOM 666 OE2 GLU A 135 8.112 -15.748 -2.976 1.00 70.44 O ATOM 0 H GLU A 135 11.272 -12.475 -5.692 1.00 31.14 H new ATOM 0 HA GLU A 135 8.663 -13.300 -6.669 1.00 42.51 H new ATOM 0 HB2 GLU A 135 9.694 -12.622 -3.898 1.00 44.43 H new ATOM 0 HB3 GLU A 135 8.076 -13.195 -4.250 1.00 44.43 H new ATOM 0 HG2 GLU A 135 9.154 -15.263 -5.290 1.00 31.32 H new ATOM 0 HG3 GLU A 135 10.681 -14.701 -4.640 1.00 31.32 H new ATOM 673 N ILE A 136 7.767 -11.002 -7.023 1.00 72.25 N ATOM 674 CA ILE A 136 7.131 -9.700 -7.180 1.00 35.54 C ATOM 675 C ILE A 136 5.939 -9.574 -6.233 1.00 52.25 C ATOM 676 O ILE A 136 5.388 -8.490 -6.046 1.00 41.10 O ATOM 677 CB ILE A 136 6.656 -9.485 -8.636 1.00 1.42 C ATOM 678 CG1 ILE A 136 7.760 -9.865 -9.622 1.00 45.42 C ATOM 679 CG2 ILE A 136 6.240 -8.038 -8.855 1.00 70.04 C ATOM 680 CD1 ILE A 136 7.313 -9.834 -11.069 1.00 64.43 C ATOM 0 H ILE A 136 7.525 -11.679 -7.746 1.00 72.25 H new ATOM 0 HA ILE A 136 7.871 -8.937 -6.937 1.00 35.54 H new ATOM 0 HB ILE A 136 5.793 -10.128 -8.810 1.00 1.42 H new ATOM 0 HG12 ILE A 136 8.601 -9.183 -9.495 1.00 45.42 H new ATOM 0 HG13 ILE A 136 8.122 -10.865 -9.383 1.00 45.42 H new ATOM 0 HG21 ILE A 136 5.909 -7.907 -9.885 1.00 70.04 H new ATOM 0 HG22 ILE A 136 5.424 -7.787 -8.177 1.00 70.04 H new ATOM 0 HG23 ILE A 136 7.088 -7.382 -8.660 1.00 70.04 H new ATOM 0 HD11 ILE A 136 8.146 -10.114 -11.713 1.00 64.43 H new ATOM 0 HD12 ILE A 136 6.492 -10.537 -11.211 1.00 64.43 H new ATOM 0 HD13 ILE A 136 6.978 -8.829 -11.325 1.00 64.43 H new ATOM 692 N MET A 137 5.560 -10.704 -5.637 1.00 52.05 N ATOM 693 CA MET A 137 4.413 -10.775 -4.740 1.00 72.04 C ATOM 694 C MET A 137 3.131 -10.420 -5.479 1.00 72.23 C ATOM 695 O MET A 137 2.791 -9.250 -5.671 1.00 62.11 O ATOM 696 CB MET A 137 4.608 -9.891 -3.499 1.00 34.05 C ATOM 697 CG MET A 137 3.355 -9.712 -2.648 1.00 51.21 C ATOM 698 SD MET A 137 2.425 -11.242 -2.390 1.00 12.23 S ATOM 699 CE MET A 137 3.691 -12.326 -1.742 1.00 34.25 C ATOM 0 H MET A 137 6.041 -11.594 -5.764 1.00 52.05 H new ATOM 0 HA MET A 137 4.328 -11.803 -4.389 1.00 72.04 H new ATOM 0 HB2 MET A 137 5.394 -10.324 -2.880 1.00 34.05 H new ATOM 0 HB3 MET A 137 4.958 -8.910 -3.819 1.00 34.05 H new ATOM 0 HG2 MET A 137 3.640 -9.303 -1.679 1.00 51.21 H new ATOM 0 HG3 MET A 137 2.705 -8.978 -3.125 1.00 51.21 H new ATOM 0 HE1 MET A 137 3.273 -12.935 -0.940 1.00 34.25 H new ATOM 0 HE2 MET A 137 4.056 -12.975 -2.538 1.00 34.25 H new ATOM 0 HE3 MET A 137 4.516 -11.730 -1.353 1.00 34.25 H new ATOM 859 N PHE A 148 5.364 -4.428 -3.231 1.00 64.25 N ATOM 860 CA PHE A 148 6.699 -4.740 -2.736 1.00 43.41 C ATOM 861 C PHE A 148 7.200 -6.042 -3.345 1.00 12.44 C ATOM 862 O PHE A 148 6.417 -6.962 -3.586 1.00 33.51 O ATOM 863 CB PHE A 148 6.706 -4.821 -1.200 1.00 4.22 C ATOM 864 CG PHE A 148 5.718 -5.801 -0.628 1.00 1.14 C ATOM 865 CD1 PHE A 148 6.073 -7.123 -0.422 1.00 12.04 C ATOM 866 CD2 PHE A 148 4.436 -5.398 -0.293 1.00 54.23 C ATOM 867 CE1 PHE A 148 5.172 -8.025 0.105 1.00 3.22 C ATOM 868 CE2 PHE A 148 3.527 -6.299 0.235 1.00 34.22 C ATOM 869 CZ PHE A 148 3.898 -7.615 0.432 1.00 44.10 C ATOM 0 HA PHE A 148 7.373 -3.937 -3.036 1.00 43.41 H new ATOM 0 HB2 PHE A 148 7.707 -5.095 -0.867 1.00 4.22 H new ATOM 0 HB3 PHE A 148 6.495 -3.831 -0.795 1.00 4.22 H new ATOM 0 HD1 PHE A 148 7.069 -7.453 -0.677 1.00 12.04 H new ATOM 0 HD2 PHE A 148 4.142 -4.370 -0.445 1.00 54.23 H new ATOM 0 HE1 PHE A 148 5.465 -9.053 0.261 1.00 3.22 H new ATOM 0 HE2 PHE A 148 2.530 -5.974 0.492 1.00 34.22 H new ATOM 0 HZ PHE A 148 3.191 -8.321 0.842 1.00 44.10 H new ATOM 879 N ALA A 149 8.497 -6.115 -3.591 1.00 0.33 N ATOM 880 CA ALA A 149 9.075 -7.282 -4.231 1.00 14.24 C ATOM 881 C ALA A 149 10.256 -7.823 -3.439 1.00 30.05 C ATOM 882 O ALA A 149 10.797 -7.153 -2.556 1.00 3.45 O ATOM 883 CB ALA A 149 9.493 -6.956 -5.659 1.00 54.13 C ATOM 0 H ALA A 149 9.167 -5.382 -3.358 1.00 0.33 H new ATOM 0 HA ALA A 149 8.311 -8.059 -4.259 1.00 14.24 H new ATOM 0 HB1 ALA A 149 9.924 -7.843 -6.123 1.00 54.13 H new ATOM 0 HB2 ALA A 149 8.621 -6.636 -6.229 1.00 54.13 H new ATOM 0 HB3 ALA A 149 10.233 -6.156 -5.648 1.00 54.13 H new ATOM 889 N PHE A 150 10.653 -9.039 -3.771 1.00 23.43 N ATOM 890 CA PHE A 150 11.727 -9.724 -3.074 1.00 73.41 C ATOM 891 C PHE A 150 12.700 -10.307 -4.079 1.00 2.35 C ATOM 892 O PHE A 150 12.294 -10.890 -5.084 1.00 55.14 O ATOM 893 CB PHE A 150 11.180 -10.857 -2.203 1.00 2.41 C ATOM 894 CG PHE A 150 10.106 -10.433 -1.249 1.00 65.21 C ATOM 895 CD1 PHE A 150 8.773 -10.659 -1.549 1.00 3.34 C ATOM 896 CD2 PHE A 150 10.426 -9.810 -0.056 1.00 43.43 C ATOM 897 CE1 PHE A 150 7.779 -10.269 -0.678 1.00 22.34 C ATOM 898 CE2 PHE A 150 9.435 -9.419 0.820 1.00 23.13 C ATOM 899 CZ PHE A 150 8.111 -9.648 0.509 1.00 4.11 C ATOM 0 H PHE A 150 10.240 -9.579 -4.531 1.00 23.43 H new ATOM 0 HA PHE A 150 12.232 -8.998 -2.437 1.00 73.41 H new ATOM 0 HB2 PHE A 150 10.787 -11.641 -2.850 1.00 2.41 H new ATOM 0 HB3 PHE A 150 12.002 -11.294 -1.636 1.00 2.41 H new ATOM 0 HD1 PHE A 150 8.510 -11.146 -2.476 1.00 3.34 H new ATOM 0 HD2 PHE A 150 11.461 -9.628 0.192 1.00 43.43 H new ATOM 0 HE1 PHE A 150 6.743 -10.449 -0.924 1.00 22.34 H new ATOM 0 HE2 PHE A 150 9.696 -8.934 1.749 1.00 23.13 H new ATOM 0 HZ PHE A 150 7.334 -9.342 1.194 1.00 4.11 H new ATOM 909 N VAL A 151 13.979 -10.152 -3.817 1.00 60.22 N ATOM 910 CA VAL A 151 14.990 -10.704 -4.693 1.00 3.14 C ATOM 911 C VAL A 151 15.716 -11.841 -3.992 1.00 64.32 C ATOM 912 O VAL A 151 16.515 -11.615 -3.084 1.00 24.33 O ATOM 913 CB VAL A 151 16.001 -9.630 -5.139 1.00 52.05 C ATOM 914 CG1 VAL A 151 16.976 -10.193 -6.156 1.00 31.42 C ATOM 915 CG2 VAL A 151 15.276 -8.420 -5.705 1.00 52.42 C ATOM 0 H VAL A 151 14.343 -9.650 -3.007 1.00 60.22 H new ATOM 0 HA VAL A 151 14.491 -11.083 -5.585 1.00 3.14 H new ATOM 0 HB VAL A 151 16.570 -9.314 -4.265 1.00 52.05 H new ATOM 0 HG11 VAL A 151 17.679 -9.416 -6.455 1.00 31.42 H new ATOM 0 HG12 VAL A 151 17.522 -11.026 -5.714 1.00 31.42 H new ATOM 0 HG13 VAL A 151 16.428 -10.542 -7.031 1.00 31.42 H new ATOM 0 HG21 VAL A 151 16.005 -7.671 -6.015 1.00 52.42 H new ATOM 0 HG22 VAL A 151 14.679 -8.723 -6.565 1.00 52.42 H new ATOM 0 HG23 VAL A 151 14.624 -7.997 -4.941 1.00 52.42 H new ATOM 925 N THR A 152 15.397 -13.063 -4.388 1.00 41.50 N ATOM 926 CA THR A 152 16.016 -14.243 -3.810 1.00 62.02 C ATOM 927 C THR A 152 17.344 -14.524 -4.495 1.00 75.41 C ATOM 928 O THR A 152 17.401 -14.639 -5.716 1.00 15.23 O ATOM 929 CB THR A 152 15.108 -15.476 -3.962 1.00 31.44 C ATOM 930 OG1 THR A 152 13.762 -15.143 -3.605 1.00 34.01 O ATOM 931 CG2 THR A 152 15.598 -16.623 -3.091 1.00 30.34 C ATOM 0 H THR A 152 14.708 -13.263 -5.113 1.00 41.50 H new ATOM 0 HA THR A 152 16.176 -14.049 -2.749 1.00 62.02 H new ATOM 0 HB THR A 152 15.140 -15.793 -5.004 1.00 31.44 H new ATOM 0 HG1 THR A 152 13.314 -14.727 -4.371 1.00 34.01 H new ATOM 0 HG21 THR A 152 14.939 -17.482 -3.217 1.00 30.34 H new ATOM 0 HG22 THR A 152 16.611 -16.896 -3.386 1.00 30.34 H new ATOM 0 HG23 THR A 152 15.595 -16.313 -2.046 1.00 30.34 H new ATOM 939 N PHE A 153 18.404 -14.636 -3.715 1.00 44.33 N ATOM 940 CA PHE A 153 19.722 -14.910 -4.258 1.00 0.31 C ATOM 941 C PHE A 153 20.153 -16.324 -3.895 1.00 64.04 C ATOM 942 O PHE A 153 19.726 -16.868 -2.876 1.00 53.24 O ATOM 943 CB PHE A 153 20.746 -13.903 -3.730 1.00 53.41 C ATOM 944 CG PHE A 153 20.470 -12.483 -4.129 1.00 52.24 C ATOM 945 CD1 PHE A 153 20.952 -11.980 -5.327 1.00 0.44 C ATOM 946 CD2 PHE A 153 19.741 -11.648 -3.302 1.00 41.14 C ATOM 947 CE1 PHE A 153 20.708 -10.673 -5.689 1.00 23.20 C ATOM 948 CE2 PHE A 153 19.494 -10.341 -3.661 1.00 34.52 C ATOM 949 CZ PHE A 153 19.978 -9.854 -4.855 1.00 43.53 C ATOM 0 H PHE A 153 18.377 -14.541 -2.700 1.00 44.33 H new ATOM 0 HA PHE A 153 19.672 -14.817 -5.343 1.00 0.31 H new ATOM 0 HB2 PHE A 153 20.773 -13.965 -2.642 1.00 53.41 H new ATOM 0 HB3 PHE A 153 21.736 -14.185 -4.090 1.00 53.41 H new ATOM 0 HD1 PHE A 153 21.524 -12.619 -5.983 1.00 0.44 H new ATOM 0 HD2 PHE A 153 19.361 -12.025 -2.364 1.00 41.14 H new ATOM 0 HE1 PHE A 153 21.088 -10.291 -6.625 1.00 23.20 H new ATOM 0 HE2 PHE A 153 18.922 -9.699 -3.007 1.00 34.52 H new ATOM 0 HZ PHE A 153 19.785 -8.830 -5.138 1.00 43.53 H new ATOM 959 N ASP A 154 20.985 -16.923 -4.736 1.00 53.04 N ATOM 960 CA ASP A 154 21.500 -18.269 -4.478 1.00 30.11 C ATOM 961 C ASP A 154 22.635 -18.239 -3.452 1.00 51.32 C ATOM 962 O ASP A 154 23.112 -19.281 -2.996 1.00 34.00 O ATOM 963 CB ASP A 154 21.977 -18.897 -5.787 1.00 42.21 C ATOM 964 CG ASP A 154 22.459 -20.326 -5.628 1.00 71.33 C ATOM 965 OD1 ASP A 154 21.759 -21.129 -4.980 1.00 12.41 O ATOM 966 OD2 ASP A 154 23.528 -20.657 -6.179 1.00 74.15 O ATOM 0 H ASP A 154 21.320 -16.502 -5.603 1.00 53.04 H new ATOM 0 HA ASP A 154 20.695 -18.875 -4.062 1.00 30.11 H new ATOM 0 HB2 ASP A 154 21.162 -18.875 -6.510 1.00 42.21 H new ATOM 0 HB3 ASP A 154 22.785 -18.292 -6.198 1.00 42.21 H new ATOM 971 N ASP A 155 23.049 -17.041 -3.075 1.00 13.10 N ATOM 972 CA ASP A 155 24.142 -16.879 -2.123 1.00 72.20 C ATOM 973 C ASP A 155 23.840 -15.745 -1.163 1.00 34.32 C ATOM 974 O ASP A 155 23.227 -14.750 -1.544 1.00 4.30 O ATOM 975 CB ASP A 155 25.453 -16.584 -2.852 1.00 74.14 C ATOM 976 CG ASP A 155 26.670 -16.962 -2.035 1.00 72.20 C ATOM 977 OD1 ASP A 155 27.448 -17.824 -2.495 1.00 33.31 O ATOM 978 OD2 ASP A 155 26.845 -16.421 -0.929 1.00 72.33 O ATOM 0 H ASP A 155 22.647 -16.166 -3.411 1.00 13.10 H new ATOM 0 HA ASP A 155 24.244 -17.810 -1.566 1.00 72.20 H new ATOM 0 HB2 ASP A 155 25.470 -17.128 -3.796 1.00 74.14 H new ATOM 0 HB3 ASP A 155 25.498 -15.522 -3.095 1.00 74.14 H new ATOM 983 N HIS A 156 24.282 -15.896 0.076 1.00 24.35 N ATOM 984 CA HIS A 156 24.088 -14.868 1.084 1.00 65.12 C ATOM 985 C HIS A 156 25.111 -13.749 0.912 1.00 53.04 C ATOM 986 O HIS A 156 24.916 -12.638 1.403 1.00 32.20 O ATOM 987 CB HIS A 156 24.163 -15.463 2.503 1.00 50.21 C ATOM 988 CG HIS A 156 25.428 -16.218 2.815 1.00 32.02 C ATOM 989 ND1 HIS A 156 25.390 -17.515 3.266 1.00 5.31 N ATOM 990 CD2 HIS A 156 26.720 -15.807 2.771 1.00 13.23 C ATOM 991 CE1 HIS A 156 26.646 -17.858 3.491 1.00 41.34 C ATOM 992 NE2 HIS A 156 27.491 -16.857 3.205 1.00 51.31 N ATOM 0 H HIS A 156 24.779 -16.723 0.407 1.00 24.35 H new ATOM 0 HA HIS A 156 23.092 -14.447 0.950 1.00 65.12 H new ATOM 0 HB2 HIS A 156 24.054 -14.654 3.225 1.00 50.21 H new ATOM 0 HB3 HIS A 156 23.315 -16.133 2.644 1.00 50.21 H new ATOM 0 HD2 HIS A 156 27.075 -14.837 2.454 1.00 13.23 H new ATOM 0 HE1 HIS A 156 26.954 -18.825 3.860 1.00 41.34 H new ATOM 0 HE2 HIS A 156 28.507 -16.872 3.293 1.00 51.31 H new ATOM 1000 N ASP A 157 26.190 -14.038 0.191 1.00 22.30 N ATOM 1001 CA ASP A 157 27.250 -13.055 -0.016 1.00 24.31 C ATOM 1002 C ASP A 157 26.784 -11.982 -0.988 1.00 33.21 C ATOM 1003 O ASP A 157 27.058 -10.797 -0.808 1.00 71.01 O ATOM 1004 CB ASP A 157 28.522 -13.733 -0.532 1.00 42.24 C ATOM 1005 CG ASP A 157 29.612 -12.741 -0.889 1.00 21.13 C ATOM 1006 OD1 ASP A 157 29.817 -12.496 -2.093 1.00 0.01 O ATOM 1007 OD2 ASP A 157 30.262 -12.200 0.033 1.00 31.40 O ATOM 0 H ASP A 157 26.354 -14.939 -0.258 1.00 22.30 H new ATOM 0 HA ASP A 157 27.481 -12.585 0.940 1.00 24.31 H new ATOM 0 HB2 ASP A 157 28.896 -14.420 0.227 1.00 42.24 H new ATOM 0 HB3 ASP A 157 28.279 -14.331 -1.410 1.00 42.24 H new ATOM 1012 N SER A 158 26.044 -12.411 -2.000 1.00 32.44 N ATOM 1013 CA SER A 158 25.469 -11.503 -2.980 1.00 5.22 C ATOM 1014 C SER A 158 24.446 -10.580 -2.315 1.00 35.13 C ATOM 1015 O SER A 158 24.236 -9.447 -2.746 1.00 10.42 O ATOM 1016 CB SER A 158 24.806 -12.312 -4.093 1.00 52.45 C ATOM 1017 OG SER A 158 25.688 -13.311 -4.582 1.00 22.30 O ATOM 0 H SER A 158 25.826 -13.394 -2.164 1.00 32.44 H new ATOM 0 HA SER A 158 26.261 -10.886 -3.405 1.00 5.22 H new ATOM 0 HB2 SER A 158 23.894 -12.777 -3.718 1.00 52.45 H new ATOM 0 HB3 SER A 158 24.513 -11.648 -4.907 1.00 52.45 H new ATOM 0 HG SER A 158 25.198 -13.918 -5.175 1.00 22.30 H new ATOM 1023 N VAL A 159 23.829 -11.078 -1.251 1.00 43.22 N ATOM 1024 CA VAL A 159 22.850 -10.315 -0.492 1.00 45.24 C ATOM 1025 C VAL A 159 23.552 -9.296 0.398 1.00 35.53 C ATOM 1026 O VAL A 159 23.075 -8.175 0.576 1.00 25.44 O ATOM 1027 CB VAL A 159 21.989 -11.248 0.386 1.00 74.31 C ATOM 1028 CG1 VAL A 159 20.849 -10.498 1.047 1.00 23.44 C ATOM 1029 CG2 VAL A 159 21.460 -12.410 -0.433 1.00 62.12 C ATOM 0 H VAL A 159 23.993 -12.019 -0.892 1.00 43.22 H new ATOM 0 HA VAL A 159 22.203 -9.798 -1.201 1.00 45.24 H new ATOM 0 HB VAL A 159 22.628 -11.640 1.178 1.00 74.31 H new ATOM 0 HG11 VAL A 159 20.265 -11.187 1.657 1.00 23.44 H new ATOM 0 HG12 VAL A 159 21.252 -9.707 1.679 1.00 23.44 H new ATOM 0 HG13 VAL A 159 20.209 -10.060 0.281 1.00 23.44 H new ATOM 0 HG21 VAL A 159 20.855 -13.057 0.202 1.00 62.12 H new ATOM 0 HG22 VAL A 159 20.848 -12.030 -1.251 1.00 62.12 H new ATOM 0 HG23 VAL A 159 22.296 -12.979 -0.840 1.00 62.12 H new ATOM 1039 N ASP A 160 24.702 -9.692 0.932 1.00 73.03 N ATOM 1040 CA ASP A 160 25.470 -8.846 1.844 1.00 14.31 C ATOM 1041 C ASP A 160 25.906 -7.551 1.167 1.00 24.44 C ATOM 1042 O ASP A 160 26.012 -6.516 1.815 1.00 43.32 O ATOM 1043 CB ASP A 160 26.694 -9.599 2.368 1.00 0.14 C ATOM 1044 CG ASP A 160 27.505 -8.783 3.358 1.00 63.32 C ATOM 1045 OD1 ASP A 160 27.128 -8.732 4.549 1.00 65.43 O ATOM 1046 OD2 ASP A 160 28.530 -8.198 2.950 1.00 55.23 O ATOM 0 H ASP A 160 25.127 -10.601 0.748 1.00 73.03 H new ATOM 0 HA ASP A 160 24.822 -8.590 2.682 1.00 14.31 H new ATOM 0 HB2 ASP A 160 26.370 -10.524 2.845 1.00 0.14 H new ATOM 0 HB3 ASP A 160 27.330 -9.880 1.528 1.00 0.14 H new ATOM 1051 N LYS A 161 26.136 -7.607 -0.145 1.00 51.14 N ATOM 1052 CA LYS A 161 26.521 -6.416 -0.909 1.00 33.24 C ATOM 1053 C LYS A 161 25.384 -5.407 -0.908 1.00 54.44 C ATOM 1054 O LYS A 161 25.595 -4.201 -1.035 1.00 25.42 O ATOM 1055 CB LYS A 161 26.803 -6.738 -2.383 1.00 1.02 C ATOM 1056 CG LYS A 161 27.304 -8.138 -2.693 1.00 42.13 C ATOM 1057 CD LYS A 161 28.713 -8.377 -2.203 1.00 41.20 C ATOM 1058 CE LYS A 161 29.298 -9.607 -2.865 1.00 21.40 C ATOM 1059 NZ LYS A 161 29.658 -9.362 -4.286 1.00 20.43 N ATOM 0 H LYS A 161 26.063 -8.459 -0.701 1.00 51.14 H new ATOM 0 HA LYS A 161 27.420 -6.026 -0.432 1.00 33.24 H new ATOM 0 HB2 LYS A 161 25.886 -6.572 -2.949 1.00 1.02 H new ATOM 0 HB3 LYS A 161 27.539 -6.024 -2.752 1.00 1.02 H new ATOM 0 HG2 LYS A 161 26.636 -8.868 -2.235 1.00 42.13 H new ATOM 0 HG3 LYS A 161 27.266 -8.303 -3.770 1.00 42.13 H new ATOM 0 HD2 LYS A 161 29.334 -7.508 -2.422 1.00 41.20 H new ATOM 0 HD3 LYS A 161 28.712 -8.504 -1.120 1.00 41.20 H new ATOM 0 HE2 LYS A 161 30.185 -9.925 -2.317 1.00 21.40 H new ATOM 0 HE3 LYS A 161 28.579 -10.424 -2.810 1.00 21.40 H new ATOM 0 HZ1 LYS A 161 30.439 -9.991 -4.560 1.00 20.43 H new ATOM 0 HZ2 LYS A 161 28.833 -9.551 -4.891 1.00 20.43 H new ATOM 0 HZ3 LYS A 161 29.954 -8.372 -4.403 1.00 20.43 H new ATOM 1073 N ILE A 162 24.179 -5.927 -0.780 1.00 45.50 N ATOM 1074 CA ILE A 162 22.977 -5.150 -0.994 1.00 41.21 C ATOM 1075 C ILE A 162 22.358 -4.694 0.317 1.00 43.55 C ATOM 1076 O ILE A 162 22.078 -3.514 0.490 1.00 61.33 O ATOM 1077 CB ILE A 162 21.959 -5.985 -1.788 1.00 72.14 C ATOM 1078 CG1 ILE A 162 22.553 -6.352 -3.144 1.00 33.54 C ATOM 1079 CG2 ILE A 162 20.644 -5.236 -1.956 1.00 73.53 C ATOM 1080 CD1 ILE A 162 21.735 -7.355 -3.915 1.00 61.12 C ATOM 0 H ILE A 162 24.007 -6.900 -0.525 1.00 45.50 H new ATOM 0 HA ILE A 162 23.250 -4.259 -1.559 1.00 41.21 H new ATOM 0 HB ILE A 162 21.743 -6.898 -1.233 1.00 72.14 H new ATOM 0 HG12 ILE A 162 22.658 -5.446 -3.741 1.00 33.54 H new ATOM 0 HG13 ILE A 162 23.556 -6.753 -2.995 1.00 33.54 H new ATOM 0 HG21 ILE A 162 19.944 -5.852 -2.521 1.00 73.53 H new ATOM 0 HG22 ILE A 162 20.223 -5.016 -0.975 1.00 73.53 H new ATOM 0 HG23 ILE A 162 20.822 -4.304 -2.492 1.00 73.53 H new ATOM 0 HD11 ILE A 162 22.221 -7.566 -4.868 1.00 61.12 H new ATOM 0 HD12 ILE A 162 21.652 -8.276 -3.339 1.00 61.12 H new ATOM 0 HD13 ILE A 162 20.740 -6.950 -4.097 1.00 61.12 H new ATOM 1092 N VAL A 163 22.174 -5.628 1.243 1.00 63.45 N ATOM 1093 CA VAL A 163 21.467 -5.348 2.491 1.00 31.35 C ATOM 1094 C VAL A 163 22.218 -4.354 3.377 1.00 43.22 C ATOM 1095 O VAL A 163 21.642 -3.798 4.312 1.00 13.31 O ATOM 1096 CB VAL A 163 21.201 -6.636 3.300 1.00 64.42 C ATOM 1097 CG1 VAL A 163 20.285 -7.578 2.536 1.00 70.34 C ATOM 1098 CG2 VAL A 163 22.505 -7.329 3.652 1.00 52.43 C ATOM 0 H VAL A 163 22.505 -6.589 1.154 1.00 63.45 H new ATOM 0 HA VAL A 163 20.517 -4.903 2.196 1.00 31.35 H new ATOM 0 HB VAL A 163 20.701 -6.354 4.227 1.00 64.42 H new ATOM 0 HG11 VAL A 163 20.113 -8.477 3.127 1.00 70.34 H new ATOM 0 HG12 VAL A 163 19.333 -7.083 2.343 1.00 70.34 H new ATOM 0 HG13 VAL A 163 20.751 -7.850 1.589 1.00 70.34 H new ATOM 0 HG21 VAL A 163 22.294 -8.234 4.222 1.00 52.43 H new ATOM 0 HG22 VAL A 163 23.036 -7.592 2.737 1.00 52.43 H new ATOM 0 HG23 VAL A 163 23.123 -6.659 4.250 1.00 52.43 H new ATOM 1108 N ILE A 164 23.500 -4.152 3.101 1.00 65.05 N ATOM 1109 CA ILE A 164 24.293 -3.174 3.841 1.00 50.42 C ATOM 1110 C ILE A 164 23.934 -1.758 3.419 1.00 44.43 C ATOM 1111 O ILE A 164 24.080 -0.810 4.192 1.00 44.14 O ATOM 1112 CB ILE A 164 25.811 -3.407 3.670 1.00 33.53 C ATOM 1113 CG1 ILE A 164 26.197 -3.596 2.194 1.00 40.32 C ATOM 1114 CG2 ILE A 164 26.243 -4.610 4.491 1.00 11.12 C ATOM 1115 CD1 ILE A 164 26.516 -2.320 1.448 1.00 65.35 C ATOM 0 H ILE A 164 24.013 -4.649 2.373 1.00 65.05 H new ATOM 0 HA ILE A 164 24.053 -3.305 4.896 1.00 50.42 H new ATOM 0 HB ILE A 164 26.331 -2.519 4.029 1.00 33.53 H new ATOM 0 HG12 ILE A 164 27.063 -4.255 2.142 1.00 40.32 H new ATOM 0 HG13 ILE A 164 25.379 -4.103 1.682 1.00 40.32 H new ATOM 0 HG21 ILE A 164 27.314 -4.770 4.367 1.00 11.12 H new ATOM 0 HG22 ILE A 164 26.023 -4.430 5.543 1.00 11.12 H new ATOM 0 HG23 ILE A 164 25.703 -5.494 4.153 1.00 11.12 H new ATOM 0 HD11 ILE A 164 26.776 -2.557 0.416 1.00 65.35 H new ATOM 0 HD12 ILE A 164 25.646 -1.664 1.461 1.00 65.35 H new ATOM 0 HD13 ILE A 164 27.356 -1.818 1.928 1.00 65.35 H new ATOM 1127 N GLN A 165 23.465 -1.628 2.192 1.00 71.20 N ATOM 1128 CA GLN A 165 22.991 -0.354 1.687 1.00 65.12 C ATOM 1129 C GLN A 165 21.470 -0.325 1.750 1.00 63.42 C ATOM 1130 O GLN A 165 20.816 -1.353 1.589 1.00 51.52 O ATOM 1131 CB GLN A 165 23.475 -0.128 0.254 1.00 32.33 C ATOM 1132 CG GLN A 165 23.183 1.266 -0.274 1.00 3.31 C ATOM 1133 CD GLN A 165 23.748 1.493 -1.659 1.00 70.41 C ATOM 1134 OE1 GLN A 165 24.893 1.915 -1.814 1.00 35.45 O ATOM 1135 NE2 GLN A 165 22.955 1.210 -2.676 1.00 45.12 N ATOM 0 H GLN A 165 23.402 -2.395 1.523 1.00 71.20 H new ATOM 0 HA GLN A 165 23.392 0.449 2.305 1.00 65.12 H new ATOM 0 HB2 GLN A 165 24.549 -0.306 0.210 1.00 32.33 H new ATOM 0 HB3 GLN A 165 23.003 -0.861 -0.400 1.00 32.33 H new ATOM 0 HG2 GLN A 165 22.105 1.424 -0.295 1.00 3.31 H new ATOM 0 HG3 GLN A 165 23.600 2.005 0.410 1.00 3.31 H new ATOM 0 HE21 GLN A 165 22.012 0.862 -2.506 1.00 45.12 H new ATOM 0 HE22 GLN A 165 23.286 1.339 -3.632 1.00 45.12 H new ATOM 1144 N LYS A 166 20.909 0.841 2.004 1.00 45.21 N ATOM 1145 CA LYS A 166 19.471 0.965 2.138 1.00 40.20 C ATOM 1146 C LYS A 166 18.860 1.516 0.859 1.00 62.40 C ATOM 1147 O LYS A 166 18.123 0.822 0.166 1.00 30.01 O ATOM 1148 CB LYS A 166 19.137 1.858 3.335 1.00 43.53 C ATOM 1149 CG LYS A 166 17.651 2.037 3.592 1.00 2.04 C ATOM 1150 CD LYS A 166 17.413 2.741 4.917 1.00 11.43 C ATOM 1151 CE LYS A 166 15.935 2.853 5.243 1.00 41.01 C ATOM 1152 NZ LYS A 166 15.696 3.572 6.522 1.00 25.33 N ATOM 0 H LYS A 166 21.425 1.713 2.121 1.00 45.21 H new ATOM 0 HA LYS A 166 19.044 -0.023 2.312 1.00 40.20 H new ATOM 0 HB2 LYS A 166 19.599 1.436 4.227 1.00 43.53 H new ATOM 0 HB3 LYS A 166 19.586 2.838 3.177 1.00 43.53 H new ATOM 0 HG2 LYS A 166 17.205 2.615 2.783 1.00 2.04 H new ATOM 0 HG3 LYS A 166 17.159 1.064 3.598 1.00 2.04 H new ATOM 0 HD2 LYS A 166 17.920 2.196 5.713 1.00 11.43 H new ATOM 0 HD3 LYS A 166 17.853 3.738 4.882 1.00 11.43 H new ATOM 0 HE2 LYS A 166 15.425 3.375 4.434 1.00 41.01 H new ATOM 0 HE3 LYS A 166 15.501 1.855 5.302 1.00 41.01 H new ATOM 0 HZ1 LYS A 166 14.674 3.625 6.705 1.00 25.33 H new ATOM 0 HZ2 LYS A 166 16.161 3.061 7.300 1.00 25.33 H new ATOM 0 HZ3 LYS A 166 16.086 4.534 6.458 1.00 25.33 H new ATOM 1166 N TYR A 167 19.177 2.752 0.537 1.00 14.52 N ATOM 1167 CA TYR A 167 18.615 3.387 -0.639 1.00 23.43 C ATOM 1168 C TYR A 167 19.386 2.994 -1.898 1.00 61.30 C ATOM 1169 O TYR A 167 20.477 3.500 -2.160 1.00 34.41 O ATOM 1170 CB TYR A 167 18.600 4.904 -0.474 1.00 23.25 C ATOM 1171 CG TYR A 167 17.832 5.381 0.742 1.00 43.55 C ATOM 1172 CD1 TYR A 167 18.242 6.507 1.441 1.00 13.33 C ATOM 1173 CD2 TYR A 167 16.698 4.709 1.190 1.00 23.32 C ATOM 1174 CE1 TYR A 167 17.550 6.952 2.549 1.00 62.40 C ATOM 1175 CE2 TYR A 167 16.000 5.150 2.298 1.00 3.02 C ATOM 1176 CZ TYR A 167 16.429 6.272 2.973 1.00 40.34 C ATOM 1177 OH TYR A 167 15.737 6.713 4.079 1.00 3.24 O ATOM 0 H TYR A 167 19.819 3.337 1.071 1.00 14.52 H new ATOM 0 HA TYR A 167 17.588 3.039 -0.750 1.00 23.43 H new ATOM 0 HB2 TYR A 167 19.627 5.263 -0.407 1.00 23.25 H new ATOM 0 HB3 TYR A 167 18.164 5.353 -1.366 1.00 23.25 H new ATOM 0 HD1 TYR A 167 19.119 7.045 1.112 1.00 13.33 H new ATOM 0 HD2 TYR A 167 16.359 3.829 0.663 1.00 23.32 H new ATOM 0 HE1 TYR A 167 17.886 7.830 3.082 1.00 62.40 H new ATOM 0 HE2 TYR A 167 15.122 4.618 2.633 1.00 3.02 H new ATOM 0 HH TYR A 167 14.972 6.123 4.243 1.00 3.24 H new ATOM 1187 N HIS A 168 18.814 2.074 -2.658 1.00 13.11 N ATOM 1188 CA HIS A 168 19.384 1.648 -3.931 1.00 43.20 C ATOM 1189 C HIS A 168 18.693 2.384 -5.072 1.00 55.22 C ATOM 1190 O HIS A 168 17.905 3.297 -4.839 1.00 45.11 O ATOM 1191 CB HIS A 168 19.233 0.134 -4.115 1.00 32.41 C ATOM 1192 CG HIS A 168 20.175 -0.676 -3.274 1.00 1.02 C ATOM 1193 ND1 HIS A 168 21.263 -1.307 -3.826 1.00 22.20 N ATOM 1194 CD2 HIS A 168 20.144 -0.934 -1.945 1.00 60.21 C ATOM 1195 CE1 HIS A 168 21.867 -1.930 -2.830 1.00 54.32 C ATOM 1196 NE2 HIS A 168 21.224 -1.731 -1.669 1.00 74.13 N ATOM 0 H HIS A 168 17.944 1.601 -2.413 1.00 13.11 H new ATOM 0 HA HIS A 168 20.447 1.888 -3.935 1.00 43.20 H new ATOM 0 HB2 HIS A 168 18.209 -0.151 -3.874 1.00 32.41 H new ATOM 0 HB3 HIS A 168 19.394 -0.113 -5.164 1.00 32.41 H new ATOM 0 HD2 HIS A 168 19.409 -0.579 -1.238 1.00 60.21 H new ATOM 0 HE1 HIS A 168 22.763 -2.523 -2.936 1.00 54.32 H new ATOM 0 HE2 HIS A 168 21.488 -2.102 -0.756 1.00 74.13 H new ATOM 1204 N THR A 169 18.991 2.006 -6.301 1.00 12.30 N ATOM 1205 CA THR A 169 18.337 2.611 -7.448 1.00 12.52 C ATOM 1206 C THR A 169 18.056 1.569 -8.523 1.00 3.41 C ATOM 1207 O THR A 169 18.965 1.089 -9.199 1.00 44.52 O ATOM 1208 CB THR A 169 19.180 3.764 -8.027 1.00 54.13 C ATOM 1209 OG1 THR A 169 19.437 4.724 -6.994 1.00 54.10 O ATOM 1210 CG2 THR A 169 18.461 4.445 -9.183 1.00 31.32 C ATOM 0 H THR A 169 19.677 1.287 -6.531 1.00 12.30 H new ATOM 0 HA THR A 169 17.387 3.023 -7.107 1.00 12.52 H new ATOM 0 HB THR A 169 20.117 3.353 -8.403 1.00 54.13 H new ATOM 0 HG1 THR A 169 19.974 5.459 -7.357 1.00 54.10 H new ATOM 0 HG21 THR A 169 19.080 5.254 -9.571 1.00 31.32 H new ATOM 0 HG22 THR A 169 18.275 3.719 -9.974 1.00 31.32 H new ATOM 0 HG23 THR A 169 17.512 4.851 -8.833 1.00 31.32 H new ATOM 1218 N VAL A 170 16.790 1.208 -8.653 1.00 34.21 N ATOM 1219 CA VAL A 170 16.369 0.219 -9.629 1.00 13.34 C ATOM 1220 C VAL A 170 15.349 0.834 -10.577 1.00 62.32 C ATOM 1221 O VAL A 170 14.461 1.566 -10.137 1.00 41.33 O ATOM 1222 CB VAL A 170 15.748 -1.021 -8.949 1.00 55.22 C ATOM 1223 CG1 VAL A 170 15.431 -2.096 -9.977 1.00 61.23 C ATOM 1224 CG2 VAL A 170 16.670 -1.569 -7.871 1.00 30.43 C ATOM 0 H VAL A 170 16.031 1.590 -8.089 1.00 34.21 H new ATOM 0 HA VAL A 170 17.252 -0.100 -10.182 1.00 13.34 H new ATOM 0 HB VAL A 170 14.816 -0.713 -8.475 1.00 55.22 H new ATOM 0 HG11 VAL A 170 14.995 -2.960 -9.477 1.00 61.23 H new ATOM 0 HG12 VAL A 170 14.723 -1.704 -10.707 1.00 61.23 H new ATOM 0 HG13 VAL A 170 16.348 -2.395 -10.485 1.00 61.23 H new ATOM 0 HG21 VAL A 170 16.210 -2.442 -7.408 1.00 30.43 H new ATOM 0 HG22 VAL A 170 17.622 -1.855 -8.318 1.00 30.43 H new ATOM 0 HG23 VAL A 170 16.840 -0.803 -7.114 1.00 30.43 H new ATOM 1234 N ASN A 171 15.514 0.577 -11.878 1.00 4.21 N ATOM 1235 CA ASN A 171 14.573 1.050 -12.905 1.00 14.03 C ATOM 1236 C ASN A 171 14.682 2.569 -13.108 1.00 55.21 C ATOM 1237 O ASN A 171 14.077 3.137 -14.016 1.00 75.45 O ATOM 1238 CB ASN A 171 13.134 0.624 -12.538 1.00 14.33 C ATOM 1239 CG ASN A 171 12.069 1.187 -13.463 1.00 73.11 C ATOM 1240 OD1 ASN A 171 11.767 0.613 -14.507 1.00 43.11 O ATOM 1241 ND2 ASN A 171 11.478 2.305 -13.072 1.00 24.13 N ATOM 0 H ASN A 171 16.297 0.039 -12.250 1.00 4.21 H new ATOM 0 HA ASN A 171 14.834 0.587 -13.856 1.00 14.03 H new ATOM 0 HB2 ASN A 171 13.074 -0.464 -12.551 1.00 14.33 H new ATOM 0 HB3 ASN A 171 12.920 0.943 -11.518 1.00 14.33 H new ATOM 0 HD21 ASN A 171 10.743 2.720 -13.644 1.00 24.13 H new ATOM 0 HD22 ASN A 171 11.758 2.751 -12.198 1.00 24.13 H new ATOM 1248 N GLY A 172 15.505 3.214 -12.290 1.00 14.04 N ATOM 1249 CA GLY A 172 15.626 4.658 -12.340 1.00 10.11 C ATOM 1250 C GLY A 172 15.007 5.316 -11.123 1.00 34.55 C ATOM 1251 O GLY A 172 14.934 6.543 -11.032 1.00 70.20 O ATOM 0 H GLY A 172 16.093 2.760 -11.591 1.00 14.04 H new ATOM 0 HA2 GLY A 172 16.679 4.933 -12.406 1.00 10.11 H new ATOM 0 HA3 GLY A 172 15.142 5.033 -13.242 1.00 10.11 H new ATOM 1255 N HIS A 173 14.560 4.493 -10.187 1.00 43.01 N ATOM 1256 CA HIS A 173 13.942 4.983 -8.967 1.00 12.22 C ATOM 1257 C HIS A 173 14.801 4.627 -7.758 1.00 61.01 C ATOM 1258 O HIS A 173 15.252 3.487 -7.614 1.00 52.25 O ATOM 1259 CB HIS A 173 12.531 4.394 -8.818 1.00 23.51 C ATOM 1260 CG HIS A 173 11.835 4.780 -7.545 1.00 31.53 C ATOM 1261 ND1 HIS A 173 11.192 5.987 -7.411 1.00 12.24 N ATOM 1262 CD2 HIS A 173 11.724 4.090 -6.384 1.00 33.04 C ATOM 1263 CE1 HIS A 173 10.708 6.005 -6.179 1.00 43.32 C ATOM 1264 NE2 HIS A 173 11.006 4.877 -5.522 1.00 63.54 N ATOM 0 H HIS A 173 14.615 3.476 -10.251 1.00 43.01 H new ATOM 0 HA HIS A 173 13.862 6.069 -9.024 1.00 12.22 H new ATOM 0 HB2 HIS A 173 11.923 4.717 -9.663 1.00 23.51 H new ATOM 0 HB3 HIS A 173 12.596 3.307 -8.868 1.00 23.51 H new ATOM 0 HD2 HIS A 173 12.124 3.108 -6.178 1.00 33.04 H new ATOM 0 HE1 HIS A 173 10.145 6.825 -5.758 1.00 43.32 H new ATOM 0 HE2 HIS A 173 10.748 4.647 -4.562 1.00 63.54 H new ATOM 1272 N ASN A 174 15.043 5.615 -6.909 1.00 11.53 N ATOM 1273 CA ASN A 174 15.766 5.394 -5.665 1.00 30.34 C ATOM 1274 C ASN A 174 14.860 4.684 -4.667 1.00 71.13 C ATOM 1275 O ASN A 174 13.968 5.295 -4.077 1.00 21.14 O ATOM 1276 CB ASN A 174 16.262 6.725 -5.089 1.00 64.23 C ATOM 1277 CG ASN A 174 17.067 6.558 -3.811 1.00 31.34 C ATOM 1278 OD1 ASN A 174 18.289 6.393 -3.846 1.00 44.11 O ATOM 1279 ND2 ASN A 174 16.394 6.615 -2.673 1.00 41.40 N ATOM 0 H ASN A 174 14.748 6.580 -7.059 1.00 11.53 H new ATOM 0 HA ASN A 174 16.635 4.767 -5.865 1.00 30.34 H new ATOM 0 HB2 ASN A 174 16.876 7.231 -5.835 1.00 64.23 H new ATOM 0 HB3 ASN A 174 15.406 7.370 -4.891 1.00 64.23 H new ATOM 0 HD21 ASN A 174 16.886 6.521 -1.784 1.00 41.40 H new ATOM 0 HD22 ASN A 174 15.383 6.753 -2.685 1.00 41.40 H new ATOM 1286 N CYS A 175 15.079 3.393 -4.498 1.00 1.43 N ATOM 1287 CA CYS A 175 14.230 2.581 -3.645 1.00 5.31 C ATOM 1288 C CYS A 175 14.920 2.286 -2.320 1.00 62.31 C ATOM 1289 O CYS A 175 16.070 2.669 -2.111 1.00 11.03 O ATOM 1290 CB CYS A 175 13.873 1.277 -4.357 1.00 55.32 C ATOM 1291 SG CYS A 175 15.308 0.354 -4.960 1.00 34.31 S ATOM 0 H CYS A 175 15.842 2.882 -4.943 1.00 1.43 H new ATOM 0 HA CYS A 175 13.315 3.136 -3.436 1.00 5.31 H new ATOM 0 HB2 CYS A 175 13.308 0.644 -3.673 1.00 55.32 H new ATOM 0 HB3 CYS A 175 13.218 1.502 -5.199 1.00 55.32 H new ATOM 0 HG CYS A 175 14.908 -0.735 -5.546 1.00 34.31 H new ATOM 1297 N GLU A 176 14.216 1.604 -1.434 1.00 15.42 N ATOM 1298 CA GLU A 176 14.752 1.262 -0.131 1.00 74.11 C ATOM 1299 C GLU A 176 14.817 -0.252 0.028 1.00 21.23 C ATOM 1300 O GLU A 176 13.803 -0.945 -0.063 1.00 10.45 O ATOM 1301 CB GLU A 176 13.886 1.888 0.959 1.00 54.31 C ATOM 1302 CG GLU A 176 14.307 1.532 2.370 1.00 65.12 C ATOM 1303 CD GLU A 176 13.321 2.031 3.401 1.00 62.33 C ATOM 1304 OE1 GLU A 176 13.287 3.252 3.654 1.00 50.22 O ATOM 1305 OE2 GLU A 176 12.591 1.201 3.974 1.00 70.11 O ATOM 0 H GLU A 176 13.264 1.274 -1.596 1.00 15.42 H new ATOM 0 HA GLU A 176 15.764 1.656 -0.040 1.00 74.11 H new ATOM 0 HB2 GLU A 176 13.910 2.972 0.848 1.00 54.31 H new ATOM 0 HB3 GLU A 176 12.853 1.575 0.811 1.00 54.31 H new ATOM 0 HG2 GLU A 176 14.405 0.450 2.456 1.00 65.12 H new ATOM 0 HG3 GLU A 176 15.290 1.958 2.573 1.00 65.12 H new ATOM 1312 N VAL A 177 16.015 -0.757 0.250 1.00 33.41 N ATOM 1313 CA VAL A 177 16.239 -2.186 0.332 1.00 32.21 C ATOM 1314 C VAL A 177 16.649 -2.594 1.736 1.00 2.23 C ATOM 1315 O VAL A 177 17.482 -1.947 2.373 1.00 72.02 O ATOM 1316 CB VAL A 177 17.318 -2.640 -0.672 1.00 34.32 C ATOM 1317 CG1 VAL A 177 17.595 -4.129 -0.534 1.00 70.22 C ATOM 1318 CG2 VAL A 177 16.896 -2.303 -2.093 1.00 32.44 C ATOM 0 H VAL A 177 16.855 -0.192 0.378 1.00 33.41 H new ATOM 0 HA VAL A 177 15.298 -2.675 0.081 1.00 32.21 H new ATOM 0 HB VAL A 177 18.240 -2.103 -0.448 1.00 34.32 H new ATOM 0 HG11 VAL A 177 18.359 -4.425 -1.253 1.00 70.22 H new ATOM 0 HG12 VAL A 177 17.945 -4.342 0.476 1.00 70.22 H new ATOM 0 HG13 VAL A 177 16.680 -4.689 -0.727 1.00 70.22 H new ATOM 0 HG21 VAL A 177 17.668 -2.630 -2.789 1.00 32.44 H new ATOM 0 HG22 VAL A 177 15.960 -2.811 -2.325 1.00 32.44 H new ATOM 0 HG23 VAL A 177 16.757 -1.226 -2.185 1.00 32.44 H new ATOM 1328 N ARG A 178 16.047 -3.666 2.216 1.00 14.40 N ATOM 1329 CA ARG A 178 16.365 -4.205 3.525 1.00 24.33 C ATOM 1330 C ARG A 178 16.650 -5.690 3.412 1.00 15.34 C ATOM 1331 O ARG A 178 16.584 -6.264 2.325 1.00 42.22 O ATOM 1332 CB ARG A 178 15.202 -4.000 4.497 1.00 23.34 C ATOM 1333 CG ARG A 178 14.569 -2.623 4.434 1.00 73.40 C ATOM 1334 CD ARG A 178 13.546 -2.446 5.541 1.00 32.41 C ATOM 1335 NE ARG A 178 12.870 -1.155 5.472 1.00 53.42 N ATOM 1336 CZ ARG A 178 12.008 -0.717 6.384 1.00 53.22 C ATOM 1337 NH1 ARG A 178 11.751 -1.435 7.471 1.00 13.04 N ATOM 1338 NH2 ARG A 178 11.420 0.453 6.211 1.00 14.42 N ATOM 0 H ARG A 178 15.328 -4.185 1.713 1.00 14.40 H new ATOM 0 HA ARG A 178 17.242 -3.680 3.903 1.00 24.33 H new ATOM 0 HB2 ARG A 178 14.436 -4.748 4.292 1.00 23.34 H new ATOM 0 HB3 ARG A 178 15.557 -4.177 5.512 1.00 23.34 H new ATOM 0 HG2 ARG A 178 15.341 -1.859 4.522 1.00 73.40 H new ATOM 0 HG3 ARG A 178 14.090 -2.482 3.465 1.00 73.40 H new ATOM 0 HD2 ARG A 178 12.806 -3.244 5.479 1.00 32.41 H new ATOM 0 HD3 ARG A 178 14.040 -2.543 6.508 1.00 32.41 H new ATOM 0 HE ARG A 178 13.071 -0.551 4.675 1.00 53.42 H new ATOM 0 HH11 ARG A 178 12.217 -2.331 7.612 1.00 13.04 H new ATOM 0 HH12 ARG A 178 11.088 -1.090 8.165 1.00 13.04 H new ATOM 0 HH21 ARG A 178 11.629 1.011 5.383 1.00 14.42 H new ATOM 0 HH22 ARG A 178 10.757 0.798 6.905 1.00 14.42 H new ATOM 1352 N LYS A 179 16.961 -6.303 4.537 1.00 51.01 N ATOM 1353 CA LYS A 179 17.097 -7.746 4.600 1.00 13.51 C ATOM 1354 C LYS A 179 15.699 -8.347 4.636 1.00 22.52 C ATOM 1355 O LYS A 179 14.908 -8.010 5.518 1.00 70.11 O ATOM 1356 CB LYS A 179 17.866 -8.188 5.860 1.00 1.33 C ATOM 1357 CG LYS A 179 19.192 -7.471 6.124 1.00 51.22 C ATOM 1358 CD LYS A 179 18.985 -6.051 6.638 1.00 41.05 C ATOM 1359 CE LYS A 179 20.230 -5.489 7.313 1.00 40.04 C ATOM 1360 NZ LYS A 179 21.428 -5.543 6.438 1.00 15.22 N ATOM 0 H LYS A 179 17.125 -5.824 5.422 1.00 51.01 H new ATOM 0 HA LYS A 179 17.657 -8.087 3.729 1.00 13.51 H new ATOM 0 HB2 LYS A 179 17.219 -8.043 6.725 1.00 1.33 H new ATOM 0 HB3 LYS A 179 18.063 -9.257 5.785 1.00 1.33 H new ATOM 0 HG2 LYS A 179 19.772 -8.039 6.852 1.00 51.22 H new ATOM 0 HG3 LYS A 179 19.777 -7.441 5.205 1.00 51.22 H new ATOM 0 HD2 LYS A 179 18.703 -5.405 5.807 1.00 41.05 H new ATOM 0 HD3 LYS A 179 18.156 -6.041 7.346 1.00 41.05 H new ATOM 0 HE2 LYS A 179 20.045 -4.455 7.606 1.00 40.04 H new ATOM 0 HE3 LYS A 179 20.427 -6.049 8.227 1.00 40.04 H new ATOM 0 HZ1 LYS A 179 22.246 -5.149 6.945 1.00 15.22 H new ATOM 0 HZ2 LYS A 179 21.624 -6.531 6.179 1.00 15.22 H new ATOM 0 HZ3 LYS A 179 21.254 -4.987 5.576 1.00 15.22 H new ATOM 1374 N ALA A 180 15.378 -9.203 3.682 1.00 21.33 N ATOM 1375 CA ALA A 180 14.049 -9.789 3.633 1.00 63.01 C ATOM 1376 C ALA A 180 13.897 -10.894 4.666 1.00 33.15 C ATOM 1377 O ALA A 180 14.196 -12.059 4.398 1.00 51.33 O ATOM 1378 CB ALA A 180 13.730 -10.310 2.244 1.00 11.21 C ATOM 0 H ALA A 180 16.009 -9.505 2.940 1.00 21.33 H new ATOM 0 HA ALA A 180 13.335 -9.001 3.872 1.00 63.01 H new ATOM 0 HB1 ALA A 180 12.729 -10.743 2.239 1.00 11.21 H new ATOM 0 HB2 ALA A 180 13.774 -9.489 1.528 1.00 11.21 H new ATOM 0 HB3 ALA A 180 14.457 -11.073 1.966 1.00 11.21 H new ATOM 1384 N LEU A 181 13.462 -10.517 5.858 1.00 53.20 N ATOM 1385 CA LEU A 181 13.176 -11.489 6.896 1.00 40.11 C ATOM 1386 C LEU A 181 11.794 -12.073 6.653 1.00 2.20 C ATOM 1387 O LEU A 181 10.874 -11.349 6.277 1.00 25.11 O ATOM 1388 CB LEU A 181 13.262 -10.862 8.302 1.00 23.51 C ATOM 1389 CG LEU A 181 12.064 -10.024 8.766 1.00 21.35 C ATOM 1390 CD1 LEU A 181 12.238 -9.641 10.225 1.00 50.33 C ATOM 1391 CD2 LEU A 181 11.888 -8.772 7.919 1.00 2.30 C ATOM 0 H LEU A 181 13.300 -9.547 6.128 1.00 53.20 H new ATOM 0 HA LEU A 181 13.925 -12.280 6.854 1.00 40.11 H new ATOM 0 HB2 LEU A 181 13.412 -11.666 9.023 1.00 23.51 H new ATOM 0 HB3 LEU A 181 14.150 -10.232 8.338 1.00 23.51 H new ATOM 0 HG LEU A 181 11.167 -10.632 8.649 1.00 21.35 H new ATOM 0 HD11 LEU A 181 11.384 -9.046 10.549 1.00 50.33 H new ATOM 0 HD12 LEU A 181 12.303 -10.543 10.833 1.00 50.33 H new ATOM 0 HD13 LEU A 181 13.152 -9.058 10.342 1.00 50.33 H new ATOM 0 HD21 LEU A 181 11.029 -8.206 8.280 1.00 2.30 H new ATOM 0 HD22 LEU A 181 12.784 -8.156 7.990 1.00 2.30 H new ATOM 0 HD23 LEU A 181 11.724 -9.056 6.879 1.00 2.30 H new ATOM 1403 N SER A 182 11.659 -13.378 6.844 1.00 42.21 N ATOM 1404 CA SER A 182 10.393 -14.055 6.606 1.00 21.33 C ATOM 1405 C SER A 182 9.281 -13.377 7.395 1.00 0.33 C ATOM 1406 O SER A 182 9.518 -12.880 8.498 1.00 44.53 O ATOM 1407 CB SER A 182 10.508 -15.520 7.019 1.00 52.04 C ATOM 1408 OG SER A 182 11.714 -16.089 6.537 1.00 22.15 O ATOM 0 H SER A 182 12.411 -13.989 7.163 1.00 42.21 H new ATOM 0 HA SER A 182 10.153 -14.000 5.544 1.00 21.33 H new ATOM 0 HB2 SER A 182 10.473 -15.599 8.106 1.00 52.04 H new ATOM 0 HB3 SER A 182 9.657 -16.079 6.631 1.00 52.04 H new ATOM 0 HG SER A 182 12.392 -16.066 7.244 1.00 22.15 H new ATOM 1414 N LYS A 183 8.074 -13.348 6.842 1.00 64.14 N ATOM 1415 CA LYS A 183 6.949 -12.742 7.541 1.00 13.44 C ATOM 1416 C LYS A 183 6.673 -13.485 8.844 1.00 4.32 C ATOM 1417 O LYS A 183 6.009 -12.967 9.737 1.00 51.22 O ATOM 1418 CB LYS A 183 5.700 -12.683 6.657 1.00 21.30 C ATOM 1419 CG LYS A 183 5.346 -13.992 5.985 1.00 30.01 C ATOM 1420 CD LYS A 183 4.069 -13.864 5.176 1.00 12.44 C ATOM 1421 CE LYS A 183 3.670 -15.186 4.548 1.00 11.13 C ATOM 1422 NZ LYS A 183 3.305 -16.203 5.567 1.00 25.22 N ATOM 0 H LYS A 183 7.851 -13.732 5.924 1.00 64.14 H new ATOM 0 HA LYS A 183 7.216 -11.713 7.782 1.00 13.44 H new ATOM 0 HB2 LYS A 183 4.855 -12.361 7.265 1.00 21.30 H new ATOM 0 HB3 LYS A 183 5.849 -11.923 5.890 1.00 21.30 H new ATOM 0 HG2 LYS A 183 6.163 -14.302 5.334 1.00 30.01 H new ATOM 0 HG3 LYS A 183 5.226 -14.770 6.739 1.00 30.01 H new ATOM 0 HD2 LYS A 183 3.264 -13.509 5.820 1.00 12.44 H new ATOM 0 HD3 LYS A 183 4.206 -13.116 4.395 1.00 12.44 H new ATOM 0 HE2 LYS A 183 2.826 -15.027 3.877 1.00 11.13 H new ATOM 0 HE3 LYS A 183 4.494 -15.561 3.941 1.00 11.13 H new ATOM 0 HZ1 LYS A 183 2.834 -17.006 5.103 1.00 25.22 H new ATOM 0 HZ2 LYS A 183 4.165 -16.537 6.048 1.00 25.22 H new ATOM 0 HZ3 LYS A 183 2.660 -15.780 6.265 1.00 25.22 H new ATOM 1436 N GLN A 184 7.204 -14.698 8.944 1.00 74.21 N ATOM 1437 CA GLN A 184 7.195 -15.446 10.193 1.00 54.31 C ATOM 1438 C GLN A 184 8.101 -14.759 11.212 1.00 44.21 C ATOM 1439 O GLN A 184 7.693 -14.462 12.335 1.00 64.43 O ATOM 1440 CB GLN A 184 7.692 -16.869 9.953 1.00 33.03 C ATOM 1441 CG GLN A 184 7.536 -17.775 11.163 1.00 30.45 C ATOM 1442 CD GLN A 184 8.256 -19.100 11.007 1.00 43.02 C ATOM 1443 OE1 GLN A 184 7.817 -20.121 11.529 1.00 25.41 O ATOM 1444 NE2 GLN A 184 9.376 -19.093 10.300 1.00 40.32 N ATOM 0 H GLN A 184 7.649 -15.187 8.167 1.00 74.21 H new ATOM 0 HA GLN A 184 6.175 -15.481 10.576 1.00 54.31 H new ATOM 0 HB2 GLN A 184 7.147 -17.300 9.113 1.00 33.03 H new ATOM 0 HB3 GLN A 184 8.743 -16.835 9.667 1.00 33.03 H new ATOM 0 HG2 GLN A 184 7.918 -17.262 12.046 1.00 30.45 H new ATOM 0 HG3 GLN A 184 6.476 -17.962 11.336 1.00 30.45 H new ATOM 0 HE21 GLN A 184 9.709 -18.225 9.881 1.00 40.32 H new ATOM 0 HE22 GLN A 184 9.905 -19.956 10.174 1.00 40.32 H new ATOM 1453 N GLU A 185 9.334 -14.496 10.790 1.00 63.51 N ATOM 1454 CA GLU A 185 10.334 -13.860 11.640 1.00 30.21 C ATOM 1455 C GLU A 185 9.912 -12.440 11.991 1.00 3.31 C ATOM 1456 O GLU A 185 10.043 -12.001 13.132 1.00 52.14 O ATOM 1457 CB GLU A 185 11.691 -13.827 10.928 1.00 75.02 C ATOM 1458 CG GLU A 185 12.220 -15.197 10.541 1.00 41.33 C ATOM 1459 CD GLU A 185 13.458 -15.118 9.669 1.00 51.51 C ATOM 1460 OE1 GLU A 185 13.316 -15.161 8.428 1.00 14.50 O ATOM 1461 OE2 GLU A 185 14.576 -15.016 10.219 1.00 5.13 O ATOM 0 H GLU A 185 9.667 -14.717 9.852 1.00 63.51 H new ATOM 0 HA GLU A 185 10.421 -14.442 12.557 1.00 30.21 H new ATOM 0 HB2 GLU A 185 11.603 -13.216 10.030 1.00 75.02 H new ATOM 0 HB3 GLU A 185 12.418 -13.338 11.577 1.00 75.02 H new ATOM 0 HG2 GLU A 185 12.451 -15.762 11.444 1.00 41.33 H new ATOM 0 HG3 GLU A 185 11.442 -15.747 10.012 1.00 41.33 H new ATOM 1468 N MET A 186 9.381 -11.732 11.004 1.00 34.01 N ATOM 1469 CA MET A 186 8.989 -10.340 11.184 1.00 64.12 C ATOM 1470 C MET A 186 7.726 -10.241 12.037 1.00 24.54 C ATOM 1471 O MET A 186 7.368 -9.166 12.513 1.00 31.42 O ATOM 1472 CB MET A 186 8.780 -9.664 9.823 1.00 51.32 C ATOM 1473 CG MET A 186 7.395 -9.866 9.230 1.00 23.31 C ATOM 1474 SD MET A 186 7.214 -9.097 7.610 1.00 31.13 S ATOM 1475 CE MET A 186 7.505 -7.378 8.019 1.00 4.31 C ATOM 0 H MET A 186 9.211 -12.099 10.068 1.00 34.01 H new ATOM 0 HA MET A 186 9.792 -9.820 11.707 1.00 64.12 H new ATOM 0 HB2 MET A 186 8.964 -8.595 9.929 1.00 51.32 H new ATOM 0 HB3 MET A 186 9.522 -10.047 9.122 1.00 51.32 H new ATOM 0 HG2 MET A 186 7.192 -10.934 9.146 1.00 23.31 H new ATOM 0 HG3 MET A 186 6.649 -9.453 9.909 1.00 23.31 H new ATOM 0 HE1 MET A 186 7.139 -6.745 7.211 1.00 4.31 H new ATOM 0 HE2 MET A 186 6.979 -7.129 8.941 1.00 4.31 H new ATOM 0 HE3 MET A 186 8.574 -7.212 8.155 1.00 4.31 H new