USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=12 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= 1.39 K(o=2.5,f=-8!) USER MOD Set 1.2: A 175 CYS SG : rot 53:sc= 1.11 USER MOD Set 2.1: A 169 THR OG1 : rot -9:sc= 0.346 USER MOD Set 2.2: A 174 ASN : amide:sc= -1.02 K(o=-0.68,f=-2.9!) USER MOD Set 3.1: A 124 TYR OH : rot 65:sc= 1.2 USER MOD Set 3.2: A 128 TYR OH : rot 30:sc= 1.02 USER MOD Set 3.3: A 165 GLN : amide:sc= -0.407 K(o=0.067,f=0.91) USER MOD Set 3.4: A 168 HIS : no HD1:sc= -1.74 K(o=0.067,f=-2!) USER MOD Set 4.1: A 119 HIS : no HD1:sc= -2.38! K(o=-6.6!,f=-1) USER MOD Set 4.2: A 120 HIS : no HE2:sc= -2.23! C(o=-6.6!,f=-9.1!) USER MOD Set 4.3: A 171 ASN : amide:sc= -2! K(o=-6.6!,f=-1) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= 1.11 K(o=1.1,f=-0.22) USER MOD Single : A 130 LYS NZ :NH3+ 171:sc= 0.571 (180deg=0.524) USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -2.83! USER MOD Single : A 156 HIS : no HD1:sc= -0.445 X(o=-0.44,f=-0.13) USER MOD Single : A 158 SER OG : rot 180:sc= -0.328 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0.201 (180deg=0.201) 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 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 180:sc= 0.122 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN : amide:sc= -0.43 K(o=-0.43,f=-0.97) USER MOD Single : A 186 MET CE :methyl -161:sc= -0.17 (180deg=-0.779) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.170 -14.104 5.007 1.00 61.21 N ATOM 137 CA VAL A 104 19.893 -14.108 4.308 1.00 5.22 C ATOM 138 C VAL A 104 20.116 -14.376 2.819 1.00 34.44 C ATOM 139 O VAL A 104 21.200 -14.126 2.302 1.00 61.34 O ATOM 140 CB VAL A 104 19.154 -12.762 4.514 1.00 64.34 C ATOM 141 CG1 VAL A 104 19.804 -11.640 3.717 1.00 62.43 C ATOM 142 CG2 VAL A 104 17.676 -12.881 4.177 1.00 33.51 C ATOM 0 HA VAL A 104 19.270 -14.902 4.719 1.00 5.22 H new ATOM 0 HB VAL A 104 19.236 -12.509 5.571 1.00 64.34 H new ATOM 0 HG11 VAL A 104 19.259 -10.711 3.886 1.00 62.43 H new ATOM 0 HG12 VAL A 104 20.838 -11.518 4.038 1.00 62.43 H new ATOM 0 HG13 VAL A 104 19.780 -11.887 2.656 1.00 62.43 H new ATOM 0 HG21 VAL A 104 17.189 -11.919 4.333 1.00 33.51 H new ATOM 0 HG22 VAL A 104 17.563 -13.180 3.135 1.00 33.51 H new ATOM 0 HG23 VAL A 104 17.215 -13.630 4.821 1.00 33.51 H new ATOM 152 N LYS A 105 19.110 -14.907 2.138 1.00 35.35 N ATOM 153 CA LYS A 105 19.238 -15.226 0.720 1.00 71.12 C ATOM 154 C LYS A 105 18.095 -14.628 -0.086 1.00 75.24 C ATOM 155 O LYS A 105 17.832 -15.035 -1.215 1.00 22.24 O ATOM 156 CB LYS A 105 19.301 -16.739 0.531 1.00 4.21 C ATOM 157 CG LYS A 105 20.667 -17.320 0.853 1.00 41.42 C ATOM 158 CD LYS A 105 20.570 -18.750 1.347 1.00 44.11 C ATOM 159 CE LYS A 105 19.886 -18.816 2.703 1.00 53.23 C ATOM 160 NZ LYS A 105 19.997 -20.166 3.317 1.00 13.33 N ATOM 0 H LYS A 105 18.199 -15.126 2.541 1.00 35.35 H new ATOM 0 HA LYS A 105 20.164 -14.785 0.351 1.00 71.12 H new ATOM 0 HB2 LYS A 105 18.552 -17.211 1.167 1.00 4.21 H new ATOM 0 HB3 LYS A 105 19.042 -16.982 -0.500 1.00 4.21 H new ATOM 0 HG2 LYS A 105 21.295 -17.285 -0.037 1.00 41.42 H new ATOM 0 HG3 LYS A 105 21.153 -16.706 1.611 1.00 41.42 H new ATOM 0 HD2 LYS A 105 20.014 -19.350 0.626 1.00 44.11 H new ATOM 0 HD3 LYS A 105 21.568 -19.182 1.419 1.00 44.11 H new ATOM 0 HE2 LYS A 105 20.330 -18.077 3.370 1.00 53.23 H new ATOM 0 HE3 LYS A 105 18.834 -18.554 2.592 1.00 53.23 H new ATOM 0 HZ1 LYS A 105 19.518 -20.168 4.240 1.00 13.33 H new ATOM 0 HZ2 LYS A 105 19.551 -20.869 2.694 1.00 13.33 H new ATOM 0 HZ3 LYS A 105 21.000 -20.407 3.447 1.00 13.33 H new ATOM 174 N LYS A 106 17.431 -13.648 0.498 1.00 62.23 N ATOM 175 CA LYS A 106 16.368 -12.930 -0.179 1.00 12.23 C ATOM 176 C LYS A 106 16.285 -11.513 0.362 1.00 52.32 C ATOM 177 O LYS A 106 16.301 -11.298 1.576 1.00 50.51 O ATOM 178 CB LYS A 106 15.026 -13.656 -0.018 1.00 75.30 C ATOM 179 CG LYS A 106 13.860 -12.943 -0.688 1.00 65.43 C ATOM 180 CD LYS A 106 12.836 -13.925 -1.241 1.00 53.13 C ATOM 181 CE LYS A 106 12.243 -14.813 -0.161 1.00 3.33 C ATOM 182 NZ LYS A 106 11.348 -15.853 -0.733 1.00 53.33 N ATOM 0 H LYS A 106 17.612 -13.329 1.450 1.00 62.23 H new ATOM 0 HA LYS A 106 16.594 -12.889 -1.245 1.00 12.23 H new ATOM 0 HB2 LYS A 106 15.114 -14.660 -0.434 1.00 75.30 H new ATOM 0 HB3 LYS A 106 14.809 -13.769 1.044 1.00 75.30 H new ATOM 0 HG2 LYS A 106 13.377 -12.282 0.031 1.00 65.43 H new ATOM 0 HG3 LYS A 106 14.235 -12.315 -1.497 1.00 65.43 H new ATOM 0 HD2 LYS A 106 12.036 -13.372 -1.733 1.00 53.13 H new ATOM 0 HD3 LYS A 106 13.308 -14.548 -2.001 1.00 53.13 H new ATOM 0 HE2 LYS A 106 13.047 -15.292 0.398 1.00 3.33 H new ATOM 0 HE3 LYS A 106 11.684 -14.201 0.547 1.00 3.33 H new ATOM 0 HZ1 LYS A 106 10.962 -16.439 0.034 1.00 53.33 H new ATOM 0 HZ2 LYS A 106 10.567 -15.395 -1.245 1.00 53.33 H new ATOM 0 HZ3 LYS A 106 11.888 -16.453 -1.389 1.00 53.33 H new ATOM 196 N ILE A 107 16.230 -10.548 -0.537 1.00 53.51 N ATOM 197 CA ILE A 107 16.159 -9.152 -0.148 1.00 23.45 C ATOM 198 C ILE A 107 14.756 -8.604 -0.388 1.00 3.30 C ATOM 199 O ILE A 107 14.021 -9.105 -1.242 1.00 72.12 O ATOM 200 CB ILE A 107 17.201 -8.299 -0.910 1.00 24.01 C ATOM 201 CG1 ILE A 107 16.895 -8.273 -2.408 1.00 64.04 C ATOM 202 CG2 ILE A 107 18.605 -8.834 -0.667 1.00 4.43 C ATOM 203 CD1 ILE A 107 16.213 -7.005 -2.866 1.00 0.02 C ATOM 0 H ILE A 107 16.233 -10.706 -1.545 1.00 53.51 H new ATOM 0 HA ILE A 107 16.388 -9.092 0.916 1.00 23.45 H new ATOM 0 HB ILE A 107 17.145 -7.278 -0.533 1.00 24.01 H new ATOM 0 HG12 ILE A 107 17.826 -8.395 -2.962 1.00 64.04 H new ATOM 0 HG13 ILE A 107 16.262 -9.125 -2.656 1.00 64.04 H new ATOM 0 HG21 ILE A 107 19.326 -8.223 -1.210 1.00 4.43 H new ATOM 0 HG22 ILE A 107 18.829 -8.798 0.399 1.00 4.43 H new ATOM 0 HG23 ILE A 107 18.667 -9.865 -1.016 1.00 4.43 H new ATOM 0 HD11 ILE A 107 16.028 -7.059 -3.939 1.00 0.02 H new ATOM 0 HD12 ILE A 107 15.266 -6.891 -2.339 1.00 0.02 H new ATOM 0 HD13 ILE A 107 16.853 -6.149 -2.651 1.00 0.02 H new ATOM 215 N PHE A 108 14.392 -7.590 0.377 1.00 3.44 N ATOM 216 CA PHE A 108 13.081 -6.973 0.278 1.00 24.30 C ATOM 217 C PHE A 108 13.176 -5.650 -0.466 1.00 21.13 C ATOM 218 O PHE A 108 14.027 -4.816 -0.153 1.00 13.43 O ATOM 219 CB PHE A 108 12.504 -6.748 1.680 1.00 74.13 C ATOM 220 CG PHE A 108 11.221 -5.965 1.695 1.00 51.43 C ATOM 221 CD1 PHE A 108 10.028 -6.561 1.330 1.00 54.40 C ATOM 222 CD2 PHE A 108 11.211 -4.634 2.079 1.00 43.43 C ATOM 223 CE1 PHE A 108 8.848 -5.847 1.345 1.00 62.14 C ATOM 224 CE2 PHE A 108 10.033 -3.913 2.095 1.00 33.24 C ATOM 225 CZ PHE A 108 8.851 -4.522 1.728 1.00 20.31 C ATOM 0 H PHE A 108 14.996 -7.171 1.084 1.00 3.44 H new ATOM 0 HA PHE A 108 12.419 -7.638 -0.277 1.00 24.30 H new ATOM 0 HB2 PHE A 108 12.332 -7.716 2.151 1.00 74.13 H new ATOM 0 HB3 PHE A 108 13.244 -6.225 2.287 1.00 74.13 H new ATOM 0 HD1 PHE A 108 10.020 -7.598 1.029 1.00 54.40 H new ATOM 0 HD2 PHE A 108 12.134 -4.155 2.369 1.00 43.43 H new ATOM 0 HE1 PHE A 108 7.923 -6.325 1.057 1.00 62.14 H new ATOM 0 HE2 PHE A 108 10.037 -2.875 2.394 1.00 33.24 H new ATOM 0 HZ PHE A 108 7.928 -3.961 1.741 1.00 20.31 H new ATOM 235 N VAL A 109 12.309 -5.467 -1.451 1.00 52.31 N ATOM 236 CA VAL A 109 12.274 -4.232 -2.215 1.00 0.04 C ATOM 237 C VAL A 109 10.999 -3.455 -1.912 1.00 13.50 C ATOM 238 O VAL A 109 9.900 -3.873 -2.287 1.00 42.34 O ATOM 239 CB VAL A 109 12.347 -4.493 -3.733 1.00 64.31 C ATOM 240 CG1 VAL A 109 12.600 -3.196 -4.484 1.00 72.34 C ATOM 241 CG2 VAL A 109 13.417 -5.519 -4.059 1.00 65.12 C ATOM 0 H VAL A 109 11.619 -6.161 -1.739 1.00 52.31 H new ATOM 0 HA VAL A 109 13.147 -3.651 -1.919 1.00 0.04 H new ATOM 0 HB VAL A 109 11.387 -4.897 -4.054 1.00 64.31 H new ATOM 0 HG11 VAL A 109 12.649 -3.399 -5.554 1.00 72.34 H new ATOM 0 HG12 VAL A 109 11.789 -2.496 -4.284 1.00 72.34 H new ATOM 0 HG13 VAL A 109 13.544 -2.762 -4.154 1.00 72.34 H new ATOM 0 HG21 VAL A 109 13.447 -5.684 -5.136 1.00 65.12 H new ATOM 0 HG22 VAL A 109 14.387 -5.153 -3.721 1.00 65.12 H new ATOM 0 HG23 VAL A 109 13.187 -6.457 -3.554 1.00 65.12 H new ATOM 251 N GLY A 110 11.151 -2.336 -1.225 1.00 31.32 N ATOM 252 CA GLY A 110 10.026 -1.478 -0.928 1.00 14.11 C ATOM 253 C GLY A 110 10.240 -0.085 -1.478 1.00 61.15 C ATOM 254 O GLY A 110 11.352 0.272 -1.859 1.00 35.44 O ATOM 0 H GLY A 110 12.045 -2.003 -0.864 1.00 31.32 H new ATOM 0 HA2 GLY A 110 9.118 -1.904 -1.354 1.00 14.11 H new ATOM 0 HA3 GLY A 110 9.879 -1.427 0.151 1.00 14.11 H new ATOM 347 N GLU A 117 9.463 -4.724 -12.083 1.00 51.25 N ATOM 348 CA GLU A 117 9.145 -6.141 -12.132 1.00 20.22 C ATOM 349 C GLU A 117 10.400 -6.988 -11.921 1.00 2.12 C ATOM 350 O GLU A 117 11.458 -6.471 -11.551 1.00 30.41 O ATOM 351 CB GLU A 117 8.485 -6.502 -13.468 1.00 51.14 C ATOM 352 CG GLU A 117 9.446 -6.552 -14.638 1.00 71.11 C ATOM 353 CD GLU A 117 8.818 -7.151 -15.876 1.00 12.22 C ATOM 354 OE1 GLU A 117 8.823 -8.390 -15.999 1.00 63.51 O ATOM 355 OE2 GLU A 117 8.318 -6.391 -16.728 1.00 53.21 O ATOM 0 HA GLU A 117 8.443 -6.355 -11.326 1.00 20.22 H new ATOM 0 HB2 GLU A 117 7.998 -7.472 -13.370 1.00 51.14 H new ATOM 0 HB3 GLU A 117 7.704 -5.773 -13.684 1.00 51.14 H new ATOM 0 HG2 GLU A 117 9.794 -5.544 -14.862 1.00 71.11 H new ATOM 0 HG3 GLU A 117 10.323 -7.137 -14.360 1.00 71.11 H new ATOM 362 N GLU A 118 10.263 -8.284 -12.175 1.00 44.53 N ATOM 363 CA GLU A 118 11.337 -9.251 -11.992 1.00 42.31 C ATOM 364 C GLU A 118 12.592 -8.884 -12.782 1.00 14.40 C ATOM 365 O GLU A 118 13.692 -8.848 -12.224 1.00 74.05 O ATOM 366 CB GLU A 118 10.835 -10.645 -12.388 1.00 52.01 C ATOM 367 CG GLU A 118 11.928 -11.629 -12.767 1.00 20.14 C ATOM 368 CD GLU A 118 11.369 -12.948 -13.247 1.00 23.14 C ATOM 369 OE1 GLU A 118 11.045 -13.053 -14.447 1.00 75.03 O ATOM 370 OE2 GLU A 118 11.244 -13.883 -12.431 1.00 12.22 O ATOM 0 H GLU A 118 9.395 -8.696 -12.517 1.00 44.53 H new ATOM 0 HA GLU A 118 11.621 -9.245 -10.940 1.00 42.31 H new ATOM 0 HB2 GLU A 118 10.263 -11.060 -11.558 1.00 52.01 H new ATOM 0 HB3 GLU A 118 10.149 -10.544 -13.229 1.00 52.01 H new ATOM 0 HG2 GLU A 118 12.550 -11.194 -13.549 1.00 20.14 H new ATOM 0 HG3 GLU A 118 12.573 -11.802 -11.906 1.00 20.14 H new ATOM 377 N HIS A 119 12.429 -8.598 -14.069 1.00 22.44 N ATOM 378 CA HIS A 119 13.577 -8.355 -14.932 1.00 33.34 C ATOM 379 C HIS A 119 14.315 -7.085 -14.504 1.00 32.13 C ATOM 380 O HIS A 119 15.538 -7.014 -14.592 1.00 42.44 O ATOM 381 CB HIS A 119 13.153 -8.300 -16.415 1.00 14.24 C ATOM 382 CG HIS A 119 12.931 -6.925 -16.978 1.00 34.45 C ATOM 383 ND1 HIS A 119 13.922 -6.277 -17.673 1.00 23.44 N ATOM 384 CD2 HIS A 119 11.829 -6.139 -16.943 1.00 74.13 C ATOM 385 CE1 HIS A 119 13.406 -5.119 -18.044 1.00 73.31 C ATOM 386 NE2 HIS A 119 12.140 -4.991 -17.625 1.00 5.31 N ATOM 0 H HIS A 119 11.523 -8.529 -14.533 1.00 22.44 H new ATOM 0 HA HIS A 119 14.270 -9.190 -14.826 1.00 33.34 H new ATOM 0 HB2 HIS A 119 13.918 -8.798 -17.011 1.00 14.24 H new ATOM 0 HB3 HIS A 119 12.234 -8.874 -16.533 1.00 14.24 H new ATOM 0 HD2 HIS A 119 10.887 -6.372 -16.469 1.00 74.13 H new ATOM 0 HE1 HIS A 119 13.937 -4.370 -18.613 1.00 73.31 H new ATOM 0 HE2 HIS A 119 11.525 -4.193 -17.783 1.00 5.31 H new ATOM 394 N HIS A 120 13.564 -6.102 -14.010 1.00 63.12 N ATOM 395 CA HIS A 120 14.148 -4.849 -13.541 1.00 21.01 C ATOM 396 C HIS A 120 15.073 -5.098 -12.359 1.00 43.33 C ATOM 397 O HIS A 120 16.240 -4.696 -12.369 1.00 13.12 O ATOM 398 CB HIS A 120 13.059 -3.861 -13.118 1.00 23.11 C ATOM 399 CG HIS A 120 12.221 -3.346 -14.241 1.00 53.44 C ATOM 400 ND1 HIS A 120 10.876 -3.611 -14.308 1.00 70.12 N ATOM 401 CD2 HIS A 120 12.573 -2.565 -15.286 1.00 31.40 C ATOM 402 CE1 HIS A 120 10.438 -2.988 -15.389 1.00 30.44 C ATOM 403 NE2 HIS A 120 11.431 -2.342 -16.012 1.00 63.45 N ATOM 0 H HIS A 120 12.549 -6.150 -13.925 1.00 63.12 H new ATOM 0 HA HIS A 120 14.717 -4.424 -14.368 1.00 21.01 H new ATOM 0 HB2 HIS A 120 12.409 -4.346 -12.389 1.00 23.11 H new ATOM 0 HB3 HIS A 120 13.528 -3.016 -12.614 1.00 23.11 H new ATOM 0 HD1 HIS A 120 10.327 -4.173 -13.658 1.00 70.12 H new ATOM 0 HD2 HIS A 120 13.561 -2.189 -15.507 1.00 31.40 H new ATOM 0 HE1 HIS A 120 9.412 -2.999 -15.726 1.00 30.44 H new ATOM 411 N LEU A 121 14.538 -5.768 -11.345 1.00 11.03 N ATOM 412 CA LEU A 121 15.281 -6.041 -10.124 1.00 34.42 C ATOM 413 C LEU A 121 16.500 -6.907 -10.411 1.00 41.44 C ATOM 414 O LEU A 121 17.612 -6.588 -9.992 1.00 64.12 O ATOM 415 CB LEU A 121 14.373 -6.725 -9.099 1.00 11.44 C ATOM 416 CG LEU A 121 13.172 -5.893 -8.643 1.00 74.32 C ATOM 417 CD1 LEU A 121 12.293 -6.694 -7.695 1.00 71.43 C ATOM 418 CD2 LEU A 121 13.638 -4.607 -7.978 1.00 71.02 C ATOM 0 H LEU A 121 13.586 -6.134 -11.347 1.00 11.03 H new ATOM 0 HA LEU A 121 15.628 -5.093 -9.714 1.00 34.42 H new ATOM 0 HB2 LEU A 121 14.008 -7.659 -9.525 1.00 11.44 H new ATOM 0 HB3 LEU A 121 14.969 -6.985 -8.224 1.00 11.44 H new ATOM 0 HG LEU A 121 12.581 -5.634 -9.521 1.00 74.32 H new ATOM 0 HD11 LEU A 121 11.445 -6.085 -7.383 1.00 71.43 H new ATOM 0 HD12 LEU A 121 11.930 -7.588 -8.203 1.00 71.43 H new ATOM 0 HD13 LEU A 121 12.873 -6.985 -6.819 1.00 71.43 H new ATOM 0 HD21 LEU A 121 12.772 -4.027 -7.660 1.00 71.02 H new ATOM 0 HD22 LEU A 121 14.252 -4.848 -7.110 1.00 71.02 H new ATOM 0 HD23 LEU A 121 14.225 -4.023 -8.687 1.00 71.02 H new ATOM 430 N ARG A 122 16.291 -7.987 -11.151 1.00 35.11 N ATOM 431 CA ARG A 122 17.375 -8.897 -11.492 1.00 33.20 C ATOM 432 C ARG A 122 18.472 -8.174 -12.264 1.00 33.25 C ATOM 433 O ARG A 122 19.651 -8.381 -12.004 1.00 73.11 O ATOM 434 CB ARG A 122 16.843 -10.081 -12.301 1.00 41.13 C ATOM 435 CG ARG A 122 17.933 -10.990 -12.850 1.00 2.02 C ATOM 436 CD ARG A 122 17.761 -12.422 -12.372 1.00 55.22 C ATOM 437 NE ARG A 122 16.459 -12.966 -12.747 1.00 4.32 N ATOM 438 CZ ARG A 122 16.033 -14.185 -12.417 1.00 32.11 C ATOM 439 NH1 ARG A 122 16.818 -15.004 -11.728 1.00 34.13 N ATOM 440 NH2 ARG A 122 14.827 -14.591 -12.793 1.00 13.43 N ATOM 0 H ARG A 122 15.381 -8.254 -11.526 1.00 35.11 H new ATOM 0 HA ARG A 122 17.806 -9.274 -10.564 1.00 33.20 H new ATOM 0 HB2 ARG A 122 16.176 -10.669 -11.671 1.00 41.13 H new ATOM 0 HB3 ARG A 122 16.246 -9.703 -13.131 1.00 41.13 H new ATOM 0 HG2 ARG A 122 17.914 -10.965 -13.940 1.00 2.02 H new ATOM 0 HG3 ARG A 122 18.909 -10.617 -12.540 1.00 2.02 H new ATOM 0 HD2 ARG A 122 18.550 -13.044 -12.795 1.00 55.22 H new ATOM 0 HD3 ARG A 122 17.872 -12.459 -11.288 1.00 55.22 H new ATOM 0 HE ARG A 122 15.835 -12.375 -13.297 1.00 4.32 H new ATOM 0 HH11 ARG A 122 17.751 -14.701 -11.449 1.00 34.13 H new ATOM 0 HH12 ARG A 122 16.488 -15.936 -11.478 1.00 34.13 H new ATOM 0 HH21 ARG A 122 14.226 -13.970 -13.335 1.00 13.43 H new ATOM 0 HH22 ARG A 122 14.501 -15.524 -12.540 1.00 13.43 H new ATOM 454 N ASP A 123 18.075 -7.303 -13.181 1.00 54.52 N ATOM 455 CA ASP A 123 19.024 -6.556 -14.005 1.00 31.31 C ATOM 456 C ASP A 123 19.958 -5.708 -13.144 1.00 70.43 C ATOM 457 O ASP A 123 21.111 -5.474 -13.502 1.00 32.02 O ATOM 458 CB ASP A 123 18.268 -5.666 -14.993 1.00 51.42 C ATOM 459 CG ASP A 123 19.183 -4.797 -15.828 1.00 14.14 C ATOM 460 OD1 ASP A 123 19.806 -5.318 -16.777 1.00 51.34 O ATOM 461 OD2 ASP A 123 19.262 -3.579 -15.556 1.00 72.32 O ATOM 0 H ASP A 123 17.096 -7.093 -13.376 1.00 54.52 H new ATOM 0 HA ASP A 123 19.633 -7.273 -14.556 1.00 31.31 H new ATOM 0 HB2 ASP A 123 17.670 -6.293 -15.654 1.00 51.42 H new ATOM 0 HB3 ASP A 123 17.575 -5.030 -14.443 1.00 51.42 H new ATOM 466 N TYR A 124 19.462 -5.263 -11.999 1.00 14.45 N ATOM 467 CA TYR A 124 20.259 -4.445 -11.101 1.00 34.24 C ATOM 468 C TYR A 124 21.049 -5.307 -10.117 1.00 42.24 C ATOM 469 O TYR A 124 22.249 -5.111 -9.931 1.00 32.14 O ATOM 470 CB TYR A 124 19.369 -3.459 -10.337 1.00 11.21 C ATOM 471 CG TYR A 124 20.129 -2.600 -9.349 1.00 1.31 C ATOM 472 CD1 TYR A 124 20.050 -2.842 -7.985 1.00 23.21 C ATOM 473 CD2 TYR A 124 20.933 -1.555 -9.784 1.00 12.23 C ATOM 474 CE1 TYR A 124 20.750 -2.067 -7.081 1.00 14.21 C ATOM 475 CE2 TYR A 124 21.635 -0.775 -8.886 1.00 2.02 C ATOM 476 CZ TYR A 124 21.540 -1.035 -7.537 1.00 31.34 C ATOM 477 OH TYR A 124 22.246 -0.265 -6.640 1.00 65.11 O ATOM 0 H TYR A 124 18.515 -5.454 -11.672 1.00 14.45 H new ATOM 0 HA TYR A 124 20.969 -3.884 -11.709 1.00 34.24 H new ATOM 0 HB2 TYR A 124 18.860 -2.813 -11.052 1.00 11.21 H new ATOM 0 HB3 TYR A 124 18.598 -4.015 -9.804 1.00 11.21 H new ATOM 0 HD1 TYR A 124 19.431 -3.650 -7.624 1.00 23.21 H new ATOM 0 HD2 TYR A 124 21.011 -1.349 -10.841 1.00 12.23 H new ATOM 0 HE1 TYR A 124 20.678 -2.269 -6.023 1.00 14.21 H new ATOM 0 HE2 TYR A 124 22.255 0.035 -9.240 1.00 2.02 H new ATOM 0 HH TYR A 124 22.925 -0.817 -6.198 1.00 65.11 H new ATOM 487 N PHE A 125 20.388 -6.273 -9.500 1.00 62.43 N ATOM 488 CA PHE A 125 21.007 -7.035 -8.420 1.00 61.21 C ATOM 489 C PHE A 125 21.987 -8.088 -8.940 1.00 5.04 C ATOM 490 O PHE A 125 22.795 -8.617 -8.176 1.00 32.01 O ATOM 491 CB PHE A 125 19.935 -7.682 -7.539 1.00 12.33 C ATOM 492 CG PHE A 125 19.090 -6.679 -6.801 1.00 64.24 C ATOM 493 CD1 PHE A 125 17.723 -6.616 -7.007 1.00 75.32 C ATOM 494 CD2 PHE A 125 19.669 -5.793 -5.908 1.00 21.51 C ATOM 495 CE1 PHE A 125 16.949 -5.687 -6.338 1.00 74.21 C ATOM 496 CE2 PHE A 125 18.900 -4.863 -5.233 1.00 5.13 C ATOM 497 CZ PHE A 125 17.538 -4.810 -5.450 1.00 25.04 C ATOM 0 H PHE A 125 19.432 -6.549 -9.723 1.00 62.43 H new ATOM 0 HA PHE A 125 21.584 -6.333 -7.818 1.00 61.21 H new ATOM 0 HB2 PHE A 125 19.290 -8.304 -8.160 1.00 12.33 H new ATOM 0 HB3 PHE A 125 20.416 -8.343 -6.818 1.00 12.33 H new ATOM 0 HD1 PHE A 125 17.256 -7.301 -7.699 1.00 75.32 H new ATOM 0 HD2 PHE A 125 20.735 -5.829 -5.737 1.00 21.51 H new ATOM 0 HE1 PHE A 125 15.884 -5.647 -6.510 1.00 74.21 H new ATOM 0 HE2 PHE A 125 19.364 -4.180 -4.537 1.00 5.13 H new ATOM 0 HZ PHE A 125 16.934 -4.084 -4.926 1.00 25.04 H new ATOM 507 N GLU A 126 21.930 -8.383 -10.236 1.00 54.15 N ATOM 508 CA GLU A 126 22.838 -9.360 -10.838 1.00 64.11 C ATOM 509 C GLU A 126 24.288 -8.878 -10.790 1.00 42.15 C ATOM 510 O GLU A 126 25.220 -9.682 -10.822 1.00 53.45 O ATOM 511 CB GLU A 126 22.414 -9.669 -12.279 1.00 75.22 C ATOM 512 CG GLU A 126 22.463 -8.479 -13.231 1.00 54.42 C ATOM 513 CD GLU A 126 23.805 -8.330 -13.915 1.00 5.44 C ATOM 514 OE1 GLU A 126 24.412 -7.248 -13.818 1.00 55.41 O ATOM 515 OE2 GLU A 126 24.258 -9.302 -14.552 1.00 63.43 O ATOM 0 H GLU A 126 21.268 -7.963 -10.889 1.00 54.15 H new ATOM 0 HA GLU A 126 22.777 -10.278 -10.254 1.00 64.11 H new ATOM 0 HB2 GLU A 126 23.058 -10.456 -12.671 1.00 75.22 H new ATOM 0 HB3 GLU A 126 21.398 -10.065 -12.267 1.00 75.22 H new ATOM 0 HG2 GLU A 126 21.686 -8.592 -13.987 1.00 54.42 H new ATOM 0 HG3 GLU A 126 22.239 -7.567 -12.677 1.00 54.42 H new ATOM 522 N GLN A 127 24.467 -7.562 -10.709 1.00 21.24 N ATOM 523 CA GLN A 127 25.798 -6.963 -10.597 1.00 74.33 C ATOM 524 C GLN A 127 26.453 -7.355 -9.283 1.00 41.22 C ATOM 525 O GLN A 127 27.678 -7.354 -9.155 1.00 54.54 O ATOM 526 CB GLN A 127 25.709 -5.441 -10.646 1.00 13.23 C ATOM 527 CG GLN A 127 25.010 -4.893 -11.871 1.00 52.21 C ATOM 528 CD GLN A 127 24.698 -3.423 -11.723 1.00 64.23 C ATOM 529 OE1 GLN A 127 25.482 -2.560 -12.113 1.00 25.40 O ATOM 530 NE2 GLN A 127 23.567 -3.133 -11.111 1.00 34.54 N ATOM 0 H GLN A 127 23.704 -6.885 -10.719 1.00 21.24 H new ATOM 0 HA GLN A 127 26.392 -7.329 -11.434 1.00 74.33 H new ATOM 0 HB2 GLN A 127 25.184 -5.091 -9.757 1.00 13.23 H new ATOM 0 HB3 GLN A 127 26.717 -5.029 -10.604 1.00 13.23 H new ATOM 0 HG2 GLN A 127 25.639 -5.045 -12.748 1.00 52.21 H new ATOM 0 HG3 GLN A 127 24.086 -5.446 -12.041 1.00 52.21 H new ATOM 0 HE21 GLN A 127 22.946 -3.882 -10.804 1.00 34.54 H new ATOM 0 HE22 GLN A 127 23.313 -2.159 -10.944 1.00 34.54 H new ATOM 539 N TYR A 128 25.625 -7.660 -8.299 1.00 53.21 N ATOM 540 CA TYR A 128 26.112 -7.992 -6.973 1.00 31.50 C ATOM 541 C TYR A 128 26.456 -9.469 -6.869 1.00 21.14 C ATOM 542 O TYR A 128 27.439 -9.836 -6.224 1.00 21.42 O ATOM 543 CB TYR A 128 25.082 -7.611 -5.913 1.00 45.34 C ATOM 544 CG TYR A 128 24.806 -6.125 -5.837 1.00 24.11 C ATOM 545 CD1 TYR A 128 25.451 -5.344 -4.896 1.00 51.11 C ATOM 546 CD2 TYR A 128 23.899 -5.508 -6.692 1.00 54.02 C ATOM 547 CE1 TYR A 128 25.209 -3.992 -4.797 1.00 30.43 C ATOM 548 CE2 TYR A 128 23.651 -4.149 -6.606 1.00 61.23 C ATOM 549 CZ TYR A 128 24.308 -3.396 -5.654 1.00 13.41 C ATOM 550 OH TYR A 128 24.065 -2.044 -5.558 1.00 41.21 O ATOM 0 H TYR A 128 24.610 -7.684 -8.395 1.00 53.21 H new ATOM 0 HA TYR A 128 27.023 -7.419 -6.798 1.00 31.50 H new ATOM 0 HB2 TYR A 128 24.149 -8.134 -6.122 1.00 45.34 H new ATOM 0 HB3 TYR A 128 25.431 -7.957 -4.940 1.00 45.34 H new ATOM 0 HD1 TYR A 128 26.160 -5.804 -4.224 1.00 51.11 H new ATOM 0 HD2 TYR A 128 23.381 -6.098 -7.434 1.00 54.02 H new ATOM 0 HE1 TYR A 128 25.722 -3.402 -4.052 1.00 30.43 H new ATOM 0 HE2 TYR A 128 22.948 -3.681 -7.279 1.00 61.23 H new ATOM 0 HH TYR A 128 24.869 -1.590 -5.231 1.00 41.21 H new ATOM 560 N GLY A 129 25.659 -10.317 -7.505 1.00 13.32 N ATOM 561 CA GLY A 129 25.928 -11.737 -7.457 1.00 50.24 C ATOM 562 C GLY A 129 24.893 -12.570 -8.181 1.00 60.01 C ATOM 563 O GLY A 129 24.075 -12.047 -8.942 1.00 5.34 O ATOM 0 H GLY A 129 24.838 -10.049 -8.048 1.00 13.32 H new ATOM 0 HA2 GLY A 129 26.908 -11.928 -7.894 1.00 50.24 H new ATOM 0 HA3 GLY A 129 25.976 -12.055 -6.416 1.00 50.24 H new ATOM 567 N LYS A 130 24.944 -13.870 -7.935 1.00 25.50 N ATOM 568 CA LYS A 130 24.065 -14.832 -8.572 1.00 34.12 C ATOM 569 C LYS A 130 22.660 -14.787 -7.974 1.00 1.11 C ATOM 570 O LYS A 130 22.459 -15.045 -6.783 1.00 42.20 O ATOM 571 CB LYS A 130 24.692 -16.229 -8.441 1.00 63.34 C ATOM 572 CG LYS A 130 23.717 -17.391 -8.532 1.00 43.11 C ATOM 573 CD LYS A 130 22.958 -17.412 -9.840 1.00 41.33 C ATOM 574 CE LYS A 130 22.026 -18.605 -9.901 1.00 2.03 C ATOM 575 NZ LYS A 130 21.123 -18.547 -11.078 1.00 40.44 N ATOM 0 H LYS A 130 25.605 -14.289 -7.280 1.00 25.50 H new ATOM 0 HA LYS A 130 23.956 -14.583 -9.628 1.00 34.12 H new ATOM 0 HB2 LYS A 130 25.444 -16.346 -9.221 1.00 63.34 H new ATOM 0 HB3 LYS A 130 25.212 -16.287 -7.485 1.00 63.34 H new ATOM 0 HG2 LYS A 130 24.262 -18.328 -8.417 1.00 43.11 H new ATOM 0 HG3 LYS A 130 23.008 -17.332 -7.706 1.00 43.11 H new ATOM 0 HD2 LYS A 130 22.385 -16.491 -9.948 1.00 41.33 H new ATOM 0 HD3 LYS A 130 23.660 -17.450 -10.673 1.00 41.33 H new ATOM 0 HE2 LYS A 130 22.614 -19.522 -9.940 1.00 2.03 H new ATOM 0 HE3 LYS A 130 21.430 -18.647 -8.989 1.00 2.03 H new ATOM 0 HZ1 LYS A 130 20.611 -19.448 -11.168 1.00 40.44 H new ATOM 0 HZ2 LYS A 130 20.441 -17.772 -10.954 1.00 40.44 H new ATOM 0 HZ3 LYS A 130 21.684 -18.380 -11.938 1.00 40.44 H new ATOM 589 N ILE A 131 21.693 -14.465 -8.820 1.00 53.54 N ATOM 590 CA ILE A 131 20.303 -14.397 -8.410 1.00 21.31 C ATOM 591 C ILE A 131 19.582 -15.688 -8.764 1.00 0.14 C ATOM 592 O ILE A 131 19.804 -16.263 -9.832 1.00 55.01 O ATOM 593 CB ILE A 131 19.567 -13.232 -9.098 1.00 72.14 C ATOM 594 CG1 ILE A 131 20.353 -11.932 -8.946 1.00 50.21 C ATOM 595 CG2 ILE A 131 18.168 -13.077 -8.523 1.00 62.13 C ATOM 596 CD1 ILE A 131 19.687 -10.754 -9.618 1.00 51.24 C ATOM 0 H ILE A 131 21.850 -14.245 -9.804 1.00 53.54 H new ATOM 0 HA ILE A 131 20.296 -14.241 -7.331 1.00 21.31 H new ATOM 0 HB ILE A 131 19.484 -13.459 -10.161 1.00 72.14 H new ATOM 0 HG12 ILE A 131 20.480 -11.713 -7.886 1.00 50.21 H new ATOM 0 HG13 ILE A 131 21.350 -12.066 -9.366 1.00 50.21 H new ATOM 0 HG21 ILE A 131 17.660 -12.250 -9.019 1.00 62.13 H new ATOM 0 HG22 ILE A 131 17.605 -13.997 -8.683 1.00 62.13 H new ATOM 0 HG23 ILE A 131 18.234 -12.873 -7.454 1.00 62.13 H new ATOM 0 HD11 ILE A 131 20.295 -9.861 -9.473 1.00 51.24 H new ATOM 0 HD12 ILE A 131 19.584 -10.954 -10.685 1.00 51.24 H new ATOM 0 HD13 ILE A 131 18.701 -10.596 -9.181 1.00 51.24 H new ATOM 608 N GLU A 132 18.726 -16.143 -7.871 1.00 2.24 N ATOM 609 CA GLU A 132 17.914 -17.311 -8.129 1.00 1.22 C ATOM 610 C GLU A 132 16.599 -16.932 -8.798 1.00 52.40 C ATOM 611 O GLU A 132 16.408 -17.187 -9.987 1.00 32.24 O ATOM 612 CB GLU A 132 17.675 -18.069 -6.831 1.00 32.00 C ATOM 613 CG GLU A 132 18.847 -18.953 -6.473 1.00 4.51 C ATOM 614 CD GLU A 132 18.916 -20.177 -7.363 1.00 11.12 C ATOM 615 OE1 GLU A 132 18.450 -21.256 -6.938 1.00 22.35 O ATOM 616 OE2 GLU A 132 19.397 -20.057 -8.511 1.00 22.24 O ATOM 0 H GLU A 132 18.576 -15.718 -6.956 1.00 2.24 H new ATOM 0 HA GLU A 132 18.449 -17.963 -8.820 1.00 1.22 H new ATOM 0 HB2 GLU A 132 17.495 -17.359 -6.024 1.00 32.00 H new ATOM 0 HB3 GLU A 132 16.776 -18.678 -6.926 1.00 32.00 H new ATOM 0 HG2 GLU A 132 19.773 -18.385 -6.563 1.00 4.51 H new ATOM 0 HG3 GLU A 132 18.764 -19.264 -5.432 1.00 4.51 H new ATOM 623 N VAL A 133 15.707 -16.305 -8.045 1.00 50.15 N ATOM 624 CA VAL A 133 14.396 -15.933 -8.561 1.00 22.14 C ATOM 625 C VAL A 133 14.000 -14.550 -8.067 1.00 21.30 C ATOM 626 O VAL A 133 14.511 -14.076 -7.052 1.00 64.40 O ATOM 627 CB VAL A 133 13.300 -16.945 -8.146 1.00 52.04 C ATOM 628 CG1 VAL A 133 13.557 -18.310 -8.760 1.00 24.33 C ATOM 629 CG2 VAL A 133 13.201 -17.055 -6.633 1.00 30.24 C ATOM 0 H VAL A 133 15.867 -16.042 -7.072 1.00 50.15 H new ATOM 0 HA VAL A 133 14.475 -15.933 -9.648 1.00 22.14 H new ATOM 0 HB VAL A 133 12.348 -16.573 -8.525 1.00 52.04 H new ATOM 0 HG11 VAL A 133 12.772 -19.001 -8.452 1.00 24.33 H new ATOM 0 HG12 VAL A 133 13.560 -18.225 -9.847 1.00 24.33 H new ATOM 0 HG13 VAL A 133 14.523 -18.685 -8.423 1.00 24.33 H new ATOM 0 HG21 VAL A 133 12.424 -17.772 -6.370 1.00 30.24 H new ATOM 0 HG22 VAL A 133 14.156 -17.391 -6.229 1.00 30.24 H new ATOM 0 HG23 VAL A 133 12.952 -16.080 -6.213 1.00 30.24 H new ATOM 639 N ILE A 134 13.100 -13.903 -8.787 1.00 55.54 N ATOM 640 CA ILE A 134 12.586 -12.610 -8.368 1.00 20.15 C ATOM 641 C ILE A 134 11.118 -12.749 -8.012 1.00 21.14 C ATOM 642 O ILE A 134 10.280 -12.990 -8.879 1.00 61.51 O ATOM 643 CB ILE A 134 12.738 -11.528 -9.454 1.00 43.34 C ATOM 644 CG1 ILE A 134 14.128 -11.577 -10.095 1.00 71.11 C ATOM 645 CG2 ILE A 134 12.486 -10.150 -8.858 1.00 14.14 C ATOM 646 CD1 ILE A 134 15.255 -11.304 -9.135 1.00 32.21 C ATOM 0 H ILE A 134 12.710 -14.251 -9.663 1.00 55.54 H new ATOM 0 HA ILE A 134 13.172 -12.293 -7.505 1.00 20.15 H new ATOM 0 HB ILE A 134 12.000 -11.724 -10.232 1.00 43.34 H new ATOM 0 HG12 ILE A 134 14.276 -12.560 -10.543 1.00 71.11 H new ATOM 0 HG13 ILE A 134 14.169 -10.848 -10.905 1.00 71.11 H new ATOM 0 HG21 ILE A 134 12.596 -9.392 -9.634 1.00 14.14 H new ATOM 0 HG22 ILE A 134 11.476 -10.109 -8.451 1.00 14.14 H new ATOM 0 HG23 ILE A 134 13.206 -9.961 -8.062 1.00 14.14 H new ATOM 0 HD11 ILE A 134 16.206 -11.357 -9.665 1.00 32.21 H new ATOM 0 HD12 ILE A 134 15.134 -10.310 -8.705 1.00 32.21 H new ATOM 0 HD13 ILE A 134 15.242 -12.048 -8.338 1.00 32.21 H new ATOM 658 N GLU A 135 10.817 -12.605 -6.738 1.00 21.04 N ATOM 659 CA GLU A 135 9.471 -12.807 -6.244 1.00 3.04 C ATOM 660 C GLU A 135 8.684 -11.508 -6.277 1.00 4.51 C ATOM 661 O GLU A 135 8.778 -10.692 -5.359 1.00 10.23 O ATOM 662 CB GLU A 135 9.511 -13.347 -4.814 1.00 14.02 C ATOM 663 CG GLU A 135 10.189 -14.700 -4.682 1.00 32.22 C ATOM 664 CD GLU A 135 9.362 -15.826 -5.265 1.00 1.14 C ATOM 665 OE1 GLU A 135 8.408 -16.274 -4.591 1.00 35.25 O ATOM 666 OE2 GLU A 135 9.666 -16.284 -6.382 1.00 74.33 O ATOM 0 H GLU A 135 11.494 -12.346 -6.020 1.00 21.04 H new ATOM 0 HA GLU A 135 8.976 -13.532 -6.891 1.00 3.04 H new ATOM 0 HB2 GLU A 135 10.031 -12.629 -4.180 1.00 14.02 H new ATOM 0 HB3 GLU A 135 8.491 -13.425 -4.438 1.00 14.02 H new ATOM 0 HG2 GLU A 135 11.156 -14.668 -5.183 1.00 32.22 H new ATOM 0 HG3 GLU A 135 10.382 -14.904 -3.629 1.00 32.22 H new ATOM 673 N ILE A 136 7.932 -11.299 -7.343 1.00 63.52 N ATOM 674 CA ILE A 136 7.038 -10.158 -7.411 1.00 65.21 C ATOM 675 C ILE A 136 5.777 -10.503 -6.639 1.00 22.03 C ATOM 676 O ILE A 136 4.819 -11.033 -7.205 1.00 24.53 O ATOM 677 CB ILE A 136 6.657 -9.791 -8.861 1.00 53.22 C ATOM 678 CG1 ILE A 136 7.877 -9.861 -9.779 1.00 3.22 C ATOM 679 CG2 ILE A 136 6.049 -8.395 -8.904 1.00 41.21 C ATOM 680 CD1 ILE A 136 7.528 -9.721 -11.245 1.00 54.40 C ATOM 0 H ILE A 136 7.922 -11.900 -8.167 1.00 63.52 H new ATOM 0 HA ILE A 136 7.551 -9.296 -6.984 1.00 65.21 H new ATOM 0 HB ILE A 136 5.921 -10.512 -9.215 1.00 53.22 H new ATOM 0 HG12 ILE A 136 8.578 -9.073 -9.502 1.00 3.22 H new ATOM 0 HG13 ILE A 136 8.387 -10.811 -9.623 1.00 3.22 H new ATOM 0 HG21 ILE A 136 5.784 -8.145 -9.931 1.00 41.21 H new ATOM 0 HG22 ILE A 136 5.155 -8.368 -8.281 1.00 41.21 H new ATOM 0 HG23 ILE A 136 6.773 -7.671 -8.530 1.00 41.21 H new ATOM 0 HD11 ILE A 136 8.438 -9.779 -11.843 1.00 54.40 H new ATOM 0 HD12 ILE A 136 6.851 -10.524 -11.536 1.00 54.40 H new ATOM 0 HD13 ILE A 136 7.044 -8.759 -11.414 1.00 54.40 H new ATOM 692 N MET A 137 5.797 -10.246 -5.339 1.00 33.42 N ATOM 693 CA MET A 137 4.737 -10.715 -4.467 1.00 61.35 C ATOM 694 C MET A 137 3.430 -9.997 -4.754 1.00 1.22 C ATOM 695 O MET A 137 3.237 -8.834 -4.387 1.00 33.21 O ATOM 696 CB MET A 137 5.120 -10.557 -2.998 1.00 40.21 C ATOM 697 CG MET A 137 4.208 -11.337 -2.066 1.00 72.42 C ATOM 698 SD MET A 137 4.118 -13.083 -2.516 1.00 2.13 S ATOM 699 CE MET A 137 2.953 -13.696 -1.303 1.00 3.03 C ATOM 0 H MET A 137 6.533 -9.718 -4.869 1.00 33.42 H new ATOM 0 HA MET A 137 4.594 -11.776 -4.670 1.00 61.35 H new ATOM 0 HB2 MET A 137 6.148 -10.891 -2.857 1.00 40.21 H new ATOM 0 HB3 MET A 137 5.088 -9.501 -2.730 1.00 40.21 H new ATOM 0 HG2 MET A 137 4.570 -11.244 -1.042 1.00 72.42 H new ATOM 0 HG3 MET A 137 3.208 -10.904 -2.090 1.00 72.42 H new ATOM 0 HE1 MET A 137 2.797 -14.764 -1.456 1.00 3.03 H new ATOM 0 HE2 MET A 137 3.348 -13.527 -0.301 1.00 3.03 H new ATOM 0 HE3 MET A 137 2.004 -13.171 -1.412 1.00 3.03 H new ATOM 859 N PHE A 148 5.206 -4.408 -3.036 1.00 54.53 N ATOM 860 CA PHE A 148 6.549 -4.828 -2.670 1.00 24.33 C ATOM 861 C PHE A 148 6.960 -6.075 -3.441 1.00 63.52 C ATOM 862 O PHE A 148 6.112 -6.794 -3.974 1.00 64.12 O ATOM 863 CB PHE A 148 6.632 -5.080 -1.159 1.00 51.51 C ATOM 864 CG PHE A 148 5.601 -6.046 -0.635 1.00 11.42 C ATOM 865 CD1 PHE A 148 5.876 -7.401 -0.554 1.00 64.12 C ATOM 866 CD2 PHE A 148 4.358 -5.594 -0.219 1.00 34.12 C ATOM 867 CE1 PHE A 148 4.933 -8.287 -0.070 1.00 20.13 C ATOM 868 CE2 PHE A 148 3.410 -6.476 0.264 1.00 72.13 C ATOM 869 CZ PHE A 148 3.698 -7.825 0.339 1.00 53.12 C ATOM 0 HA PHE A 148 7.241 -4.027 -2.932 1.00 24.33 H new ATOM 0 HB2 PHE A 148 7.625 -5.461 -0.920 1.00 51.51 H new ATOM 0 HB3 PHE A 148 6.521 -4.130 -0.637 1.00 51.51 H new ATOM 0 HD1 PHE A 148 6.840 -7.770 -0.873 1.00 64.12 H new ATOM 0 HD2 PHE A 148 4.128 -4.540 -0.273 1.00 34.12 H new ATOM 0 HE1 PHE A 148 5.162 -9.341 -0.012 1.00 20.13 H new ATOM 0 HE2 PHE A 148 2.445 -6.111 0.583 1.00 72.13 H new ATOM 0 HZ PHE A 148 2.959 -8.516 0.717 1.00 53.12 H new ATOM 879 N ALA A 149 8.262 -6.317 -3.503 1.00 72.23 N ATOM 880 CA ALA A 149 8.799 -7.487 -4.181 1.00 61.34 C ATOM 881 C ALA A 149 10.026 -8.007 -3.441 1.00 43.14 C ATOM 882 O ALA A 149 10.578 -7.318 -2.582 1.00 33.43 O ATOM 883 CB ALA A 149 9.150 -7.154 -5.626 1.00 41.33 C ATOM 0 H ALA A 149 8.971 -5.712 -3.088 1.00 72.23 H new ATOM 0 HA ALA A 149 8.037 -8.266 -4.185 1.00 61.34 H new ATOM 0 HB1 ALA A 149 9.550 -8.041 -6.117 1.00 41.33 H new ATOM 0 HB2 ALA A 149 8.254 -6.822 -6.151 1.00 41.33 H new ATOM 0 HB3 ALA A 149 9.897 -6.361 -5.645 1.00 41.33 H new ATOM 889 N PHE A 150 10.443 -9.221 -3.768 1.00 33.31 N ATOM 890 CA PHE A 150 11.603 -9.835 -3.135 1.00 24.13 C ATOM 891 C PHE A 150 12.552 -10.366 -4.196 1.00 53.12 C ATOM 892 O PHE A 150 12.126 -10.739 -5.286 1.00 53.10 O ATOM 893 CB PHE A 150 11.181 -10.995 -2.225 1.00 32.12 C ATOM 894 CG PHE A 150 10.074 -10.669 -1.264 1.00 43.12 C ATOM 895 CD1 PHE A 150 8.772 -11.056 -1.539 1.00 61.31 C ATOM 896 CD2 PHE A 150 10.332 -9.988 -0.088 1.00 2.24 C ATOM 897 CE1 PHE A 150 7.749 -10.766 -0.659 1.00 44.42 C ATOM 898 CE2 PHE A 150 9.312 -9.695 0.796 1.00 32.14 C ATOM 899 CZ PHE A 150 8.019 -10.085 0.509 1.00 33.22 C ATOM 0 H PHE A 150 9.992 -9.805 -4.473 1.00 33.31 H new ATOM 0 HA PHE A 150 12.100 -9.073 -2.535 1.00 24.13 H new ATOM 0 HB2 PHE A 150 10.867 -11.832 -2.849 1.00 32.12 H new ATOM 0 HB3 PHE A 150 12.050 -11.328 -1.657 1.00 32.12 H new ATOM 0 HD1 PHE A 150 8.555 -11.590 -2.452 1.00 61.31 H new ATOM 0 HD2 PHE A 150 11.342 -9.682 0.141 1.00 2.24 H new ATOM 0 HE1 PHE A 150 6.738 -11.072 -0.885 1.00 44.42 H new ATOM 0 HE2 PHE A 150 9.526 -9.162 1.710 1.00 32.14 H new ATOM 0 HZ PHE A 150 7.220 -9.857 1.199 1.00 33.22 H new ATOM 909 N VAL A 151 13.831 -10.394 -3.881 1.00 53.04 N ATOM 910 CA VAL A 151 14.821 -10.955 -4.784 1.00 63.31 C ATOM 911 C VAL A 151 15.589 -12.073 -4.086 1.00 1.31 C ATOM 912 O VAL A 151 16.319 -11.830 -3.125 1.00 51.10 O ATOM 913 CB VAL A 151 15.804 -9.879 -5.294 1.00 50.30 C ATOM 914 CG1 VAL A 151 16.806 -10.474 -6.270 1.00 11.25 C ATOM 915 CG2 VAL A 151 15.047 -8.731 -5.944 1.00 52.12 C ATOM 0 H VAL A 151 14.212 -10.035 -3.006 1.00 53.04 H new ATOM 0 HA VAL A 151 14.292 -11.359 -5.647 1.00 63.31 H new ATOM 0 HB VAL A 151 16.355 -9.492 -4.437 1.00 50.30 H new ATOM 0 HG11 VAL A 151 17.486 -9.695 -6.614 1.00 11.25 H new ATOM 0 HG12 VAL A 151 17.375 -11.259 -5.773 1.00 11.25 H new ATOM 0 HG13 VAL A 151 16.276 -10.895 -7.124 1.00 11.25 H new ATOM 0 HG21 VAL A 151 15.756 -7.982 -6.298 1.00 52.12 H new ATOM 0 HG22 VAL A 151 14.467 -9.108 -6.786 1.00 52.12 H new ATOM 0 HG23 VAL A 151 14.375 -8.279 -5.214 1.00 52.12 H new ATOM 925 N THR A 152 15.387 -13.295 -4.552 1.00 24.13 N ATOM 926 CA THR A 152 16.046 -14.459 -3.983 1.00 44.50 C ATOM 927 C THR A 152 17.396 -14.692 -4.653 1.00 33.00 C ATOM 928 O THR A 152 17.485 -14.767 -5.878 1.00 34.21 O ATOM 929 CB THR A 152 15.172 -15.716 -4.160 1.00 22.10 C ATOM 930 OG1 THR A 152 13.848 -15.461 -3.673 1.00 74.12 O ATOM 931 CG2 THR A 152 15.767 -16.908 -3.424 1.00 33.20 C ATOM 0 H THR A 152 14.765 -13.507 -5.332 1.00 24.13 H new ATOM 0 HA THR A 152 16.198 -14.271 -2.920 1.00 44.50 H new ATOM 0 HB THR A 152 15.133 -15.954 -5.223 1.00 22.10 H new ATOM 0 HG1 THR A 152 13.297 -16.263 -3.790 1.00 74.12 H new ATOM 0 HG21 THR A 152 15.129 -17.780 -3.567 1.00 33.20 H new ATOM 0 HG22 THR A 152 16.762 -17.118 -3.817 1.00 33.20 H new ATOM 0 HG23 THR A 152 15.837 -16.681 -2.360 1.00 33.20 H new ATOM 939 N PHE A 153 18.439 -14.810 -3.853 1.00 52.41 N ATOM 940 CA PHE A 153 19.776 -15.044 -4.370 1.00 35.11 C ATOM 941 C PHE A 153 20.225 -16.457 -4.039 1.00 51.15 C ATOM 942 O PHE A 153 19.784 -17.040 -3.050 1.00 33.25 O ATOM 943 CB PHE A 153 20.765 -14.033 -3.788 1.00 1.02 C ATOM 944 CG PHE A 153 20.494 -12.615 -4.200 1.00 23.52 C ATOM 945 CD1 PHE A 153 21.144 -12.062 -5.291 1.00 51.43 C ATOM 946 CD2 PHE A 153 19.592 -11.835 -3.497 1.00 24.20 C ATOM 947 CE1 PHE A 153 20.898 -10.759 -5.671 1.00 42.41 C ATOM 948 CE2 PHE A 153 19.343 -10.533 -3.874 1.00 12.41 C ATOM 949 CZ PHE A 153 19.995 -9.994 -4.961 1.00 32.53 C ATOM 0 H PHE A 153 18.386 -14.747 -2.836 1.00 52.41 H new ATOM 0 HA PHE A 153 19.751 -14.921 -5.453 1.00 35.11 H new ATOM 0 HB2 PHE A 153 20.738 -14.097 -2.700 1.00 1.02 H new ATOM 0 HB3 PHE A 153 21.774 -14.305 -4.098 1.00 1.02 H new ATOM 0 HD1 PHE A 153 21.851 -12.657 -5.850 1.00 51.43 H new ATOM 0 HD2 PHE A 153 19.078 -12.251 -2.644 1.00 24.20 H new ATOM 0 HE1 PHE A 153 21.411 -10.338 -6.523 1.00 42.41 H new ATOM 0 HE2 PHE A 153 18.637 -9.935 -3.317 1.00 12.41 H new ATOM 0 HZ PHE A 153 19.800 -8.974 -5.257 1.00 32.53 H new ATOM 959 N ASP A 154 21.100 -17.005 -4.871 1.00 21.12 N ATOM 960 CA ASP A 154 21.603 -18.359 -4.663 1.00 2.25 C ATOM 961 C ASP A 154 22.620 -18.383 -3.531 1.00 71.04 C ATOM 962 O ASP A 154 22.903 -19.431 -2.949 1.00 41.42 O ATOM 963 CB ASP A 154 22.236 -18.894 -5.949 1.00 44.31 C ATOM 964 CG ASP A 154 22.693 -20.331 -5.816 1.00 51.33 C ATOM 965 OD1 ASP A 154 23.914 -20.569 -5.712 1.00 60.05 O ATOM 966 OD2 ASP A 154 21.832 -21.233 -5.813 1.00 34.42 O ATOM 0 H ASP A 154 21.476 -16.536 -5.695 1.00 21.12 H new ATOM 0 HA ASP A 154 20.764 -18.999 -4.391 1.00 2.25 H new ATOM 0 HB2 ASP A 154 21.515 -18.819 -6.763 1.00 44.31 H new ATOM 0 HB3 ASP A 154 23.087 -18.269 -6.218 1.00 44.31 H new ATOM 971 N ASP A 155 23.143 -17.215 -3.209 1.00 20.34 N ATOM 972 CA ASP A 155 24.175 -17.097 -2.188 1.00 75.04 C ATOM 973 C ASP A 155 23.856 -15.975 -1.214 1.00 42.50 C ATOM 974 O ASP A 155 23.183 -15.008 -1.569 1.00 23.44 O ATOM 975 CB ASP A 155 25.530 -16.837 -2.829 1.00 1.10 C ATOM 976 CG ASP A 155 26.659 -17.008 -1.846 1.00 54.12 C ATOM 977 OD1 ASP A 155 26.916 -18.151 -1.414 1.00 72.42 O ATOM 978 OD2 ASP A 155 27.289 -16.000 -1.494 1.00 40.35 O ATOM 0 H ASP A 155 22.872 -16.331 -3.639 1.00 20.34 H new ATOM 0 HA ASP A 155 24.207 -18.039 -1.640 1.00 75.04 H new ATOM 0 HB2 ASP A 155 25.672 -17.519 -3.667 1.00 1.10 H new ATOM 0 HB3 ASP A 155 25.552 -15.825 -3.234 1.00 1.10 H new ATOM 983 N HIS A 156 24.358 -16.098 0.008 1.00 23.23 N ATOM 984 CA HIS A 156 24.095 -15.105 1.040 1.00 12.13 C ATOM 985 C HIS A 156 25.215 -14.070 1.133 1.00 22.31 C ATOM 986 O HIS A 156 25.206 -13.216 2.018 1.00 24.31 O ATOM 987 CB HIS A 156 23.862 -15.771 2.403 1.00 2.23 C ATOM 988 CG HIS A 156 24.960 -16.695 2.853 1.00 10.13 C ATOM 989 ND1 HIS A 156 24.695 -17.991 3.229 1.00 74.11 N ATOM 990 CD2 HIS A 156 26.285 -16.456 3.005 1.00 31.44 C ATOM 991 CE1 HIS A 156 25.856 -18.504 3.601 1.00 72.42 C ATOM 992 NE2 HIS A 156 26.845 -17.611 3.482 1.00 0.20 N ATOM 0 H HIS A 156 24.948 -16.874 0.308 1.00 23.23 H new ATOM 0 HA HIS A 156 23.184 -14.581 0.753 1.00 12.13 H new ATOM 0 HB2 HIS A 156 23.732 -14.992 3.154 1.00 2.23 H new ATOM 0 HB3 HIS A 156 22.929 -16.333 2.362 1.00 2.23 H new ATOM 0 HD2 HIS A 156 26.801 -15.532 2.791 1.00 31.44 H new ATOM 0 HE1 HIS A 156 25.989 -19.515 3.956 1.00 72.42 H new ATOM 0 HE2 HIS A 156 27.829 -17.762 3.704 1.00 0.20 H new ATOM 1000 N ASP A 157 26.185 -14.144 0.232 1.00 41.43 N ATOM 1001 CA ASP A 157 27.191 -13.092 0.139 1.00 52.21 C ATOM 1002 C ASP A 157 26.742 -12.050 -0.865 1.00 65.40 C ATOM 1003 O ASP A 157 26.941 -10.852 -0.669 1.00 41.03 O ATOM 1004 CB ASP A 157 28.560 -13.640 -0.262 1.00 70.30 C ATOM 1005 CG ASP A 157 29.533 -12.532 -0.620 1.00 73.12 C ATOM 1006 OD1 ASP A 157 29.943 -12.456 -1.798 1.00 14.22 O ATOM 1007 OD2 ASP A 157 29.865 -11.714 0.264 1.00 40.10 O ATOM 0 H ASP A 157 26.298 -14.907 -0.435 1.00 41.43 H new ATOM 0 HA ASP A 157 27.294 -12.642 1.127 1.00 52.21 H new ATOM 0 HB2 ASP A 157 28.969 -14.230 0.558 1.00 70.30 H new ATOM 0 HB3 ASP A 157 28.447 -14.312 -1.113 1.00 70.30 H new ATOM 1012 N SER A 158 26.108 -12.515 -1.934 1.00 11.03 N ATOM 1013 CA SER A 158 25.580 -11.627 -2.962 1.00 41.23 C ATOM 1014 C SER A 158 24.574 -10.641 -2.367 1.00 64.51 C ATOM 1015 O SER A 158 24.412 -9.527 -2.863 1.00 21.10 O ATOM 1016 CB SER A 158 24.924 -12.459 -4.062 1.00 63.11 C ATOM 1017 OG SER A 158 25.816 -13.457 -4.534 1.00 50.52 O ATOM 0 H SER A 158 25.946 -13.506 -2.112 1.00 11.03 H new ATOM 0 HA SER A 158 26.402 -11.050 -3.386 1.00 41.23 H new ATOM 0 HB2 SER A 158 24.017 -12.926 -3.679 1.00 63.11 H new ATOM 0 HB3 SER A 158 24.626 -11.811 -4.886 1.00 63.11 H new ATOM 0 HG SER A 158 25.378 -13.981 -5.237 1.00 50.52 H new ATOM 1023 N VAL A 159 23.924 -11.050 -1.283 1.00 5.34 N ATOM 1024 CA VAL A 159 22.936 -10.210 -0.621 1.00 11.32 C ATOM 1025 C VAL A 159 23.602 -9.173 0.281 1.00 75.34 C ATOM 1026 O VAL A 159 23.007 -8.141 0.587 1.00 3.45 O ATOM 1027 CB VAL A 159 21.958 -11.047 0.235 1.00 40.45 C ATOM 1028 CG1 VAL A 159 21.332 -12.160 -0.587 1.00 53.40 C ATOM 1029 CG2 VAL A 159 22.657 -11.610 1.460 1.00 42.43 C ATOM 0 H VAL A 159 24.065 -11.960 -0.844 1.00 5.34 H new ATOM 0 HA VAL A 159 22.383 -9.705 -1.413 1.00 11.32 H new ATOM 0 HB VAL A 159 21.159 -10.387 0.573 1.00 40.45 H new ATOM 0 HG11 VAL A 159 20.648 -12.734 0.039 1.00 53.40 H new ATOM 0 HG12 VAL A 159 20.783 -11.729 -1.424 1.00 53.40 H new ATOM 0 HG13 VAL A 159 22.115 -12.817 -0.966 1.00 53.40 H new ATOM 0 HG21 VAL A 159 21.949 -12.195 2.046 1.00 42.43 H new ATOM 0 HG22 VAL A 159 23.483 -12.248 1.146 1.00 42.43 H new ATOM 0 HG23 VAL A 159 23.042 -10.791 2.068 1.00 42.43 H new ATOM 1039 N ASP A 160 24.847 -9.430 0.677 1.00 14.30 N ATOM 1040 CA ASP A 160 25.496 -8.624 1.706 1.00 21.04 C ATOM 1041 C ASP A 160 25.833 -7.243 1.172 1.00 51.01 C ATOM 1042 O ASP A 160 25.673 -6.247 1.868 1.00 71.41 O ATOM 1043 CB ASP A 160 26.756 -9.320 2.222 1.00 10.31 C ATOM 1044 CG ASP A 160 27.399 -8.579 3.379 1.00 12.34 C ATOM 1045 OD1 ASP A 160 28.519 -8.053 3.207 1.00 44.21 O ATOM 1046 OD2 ASP A 160 26.793 -8.529 4.470 1.00 1.34 O ATOM 0 H ASP A 160 25.422 -10.185 0.303 1.00 14.30 H new ATOM 0 HA ASP A 160 24.801 -8.511 2.538 1.00 21.04 H new ATOM 0 HB2 ASP A 160 26.504 -10.332 2.539 1.00 10.31 H new ATOM 0 HB3 ASP A 160 27.476 -9.411 1.408 1.00 10.31 H new ATOM 1051 N LYS A 161 26.258 -7.191 -0.085 1.00 44.04 N ATOM 1052 CA LYS A 161 26.575 -5.929 -0.744 1.00 73.34 C ATOM 1053 C LYS A 161 25.322 -5.070 -0.895 1.00 74.20 C ATOM 1054 O LYS A 161 25.398 -3.858 -1.100 1.00 25.44 O ATOM 1055 CB LYS A 161 27.161 -6.186 -2.133 1.00 61.54 C ATOM 1056 CG LYS A 161 28.336 -7.150 -2.167 1.00 2.21 C ATOM 1057 CD LYS A 161 27.917 -8.573 -2.493 1.00 42.43 C ATOM 1058 CE LYS A 161 29.125 -9.456 -2.783 1.00 15.41 C ATOM 1059 NZ LYS A 161 30.072 -9.521 -1.635 1.00 73.30 N ATOM 0 H LYS A 161 26.392 -8.014 -0.672 1.00 44.04 H new ATOM 0 HA LYS A 161 27.304 -5.405 -0.126 1.00 73.34 H new ATOM 0 HB2 LYS A 161 26.372 -6.575 -2.777 1.00 61.54 H new ATOM 0 HB3 LYS A 161 27.479 -5.234 -2.558 1.00 61.54 H new ATOM 0 HG2 LYS A 161 29.059 -6.809 -2.908 1.00 2.21 H new ATOM 0 HG3 LYS A 161 28.840 -7.136 -1.201 1.00 2.21 H new ATOM 0 HD2 LYS A 161 27.353 -8.988 -1.658 1.00 42.43 H new ATOM 0 HD3 LYS A 161 27.252 -8.569 -3.356 1.00 42.43 H new ATOM 0 HE2 LYS A 161 28.785 -10.463 -3.027 1.00 15.41 H new ATOM 0 HE3 LYS A 161 29.648 -9.075 -3.660 1.00 15.41 H new ATOM 0 HZ1 LYS A 161 30.876 -10.133 -1.882 1.00 73.30 H new ATOM 0 HZ2 LYS A 161 30.419 -8.565 -1.417 1.00 73.30 H new ATOM 0 HZ3 LYS A 161 29.583 -9.910 -0.803 1.00 73.30 H new ATOM 1073 N ILE A 162 24.172 -5.716 -0.799 1.00 20.21 N ATOM 1074 CA ILE A 162 22.901 -5.055 -1.017 1.00 32.53 C ATOM 1075 C ILE A 162 22.271 -4.625 0.299 1.00 3.44 C ATOM 1076 O ILE A 162 21.949 -3.457 0.480 1.00 75.23 O ATOM 1077 CB ILE A 162 21.930 -5.984 -1.770 1.00 42.42 C ATOM 1078 CG1 ILE A 162 22.532 -6.375 -3.117 1.00 33.31 C ATOM 1079 CG2 ILE A 162 20.576 -5.315 -1.958 1.00 1.02 C ATOM 1080 CD1 ILE A 162 21.782 -7.480 -3.820 1.00 0.23 C ATOM 0 H ILE A 162 24.095 -6.707 -0.569 1.00 20.21 H new ATOM 0 HA ILE A 162 23.092 -4.167 -1.619 1.00 32.53 H new ATOM 0 HB ILE A 162 21.775 -6.885 -1.177 1.00 42.42 H new ATOM 0 HG12 ILE A 162 22.556 -5.497 -3.762 1.00 33.31 H new ATOM 0 HG13 ILE A 162 23.565 -6.688 -2.966 1.00 33.31 H new ATOM 0 HG21 ILE A 162 19.908 -5.990 -2.492 1.00 1.02 H new ATOM 0 HG22 ILE A 162 20.149 -5.077 -0.984 1.00 1.02 H new ATOM 0 HG23 ILE A 162 20.700 -4.397 -2.533 1.00 1.02 H new ATOM 0 HD11 ILE A 162 22.268 -7.703 -4.770 1.00 0.23 H new ATOM 0 HD12 ILE A 162 21.780 -8.373 -3.195 1.00 0.23 H new ATOM 0 HD13 ILE A 162 20.755 -7.163 -4.004 1.00 0.23 H new ATOM 1092 N VAL A 163 22.128 -5.570 1.221 1.00 55.11 N ATOM 1093 CA VAL A 163 21.401 -5.331 2.467 1.00 43.11 C ATOM 1094 C VAL A 163 22.080 -4.283 3.352 1.00 35.01 C ATOM 1095 O VAL A 163 21.436 -3.692 4.219 1.00 4.12 O ATOM 1096 CB VAL A 163 21.210 -6.634 3.276 1.00 52.04 C ATOM 1097 CG1 VAL A 163 20.382 -7.638 2.487 1.00 61.12 C ATOM 1098 CG2 VAL A 163 22.553 -7.235 3.672 1.00 1.45 C ATOM 0 H VAL A 163 22.507 -6.513 1.131 1.00 55.11 H new ATOM 0 HA VAL A 163 20.425 -4.947 2.169 1.00 43.11 H new ATOM 0 HB VAL A 163 20.671 -6.387 4.191 1.00 52.04 H new ATOM 0 HG11 VAL A 163 20.259 -8.549 3.073 1.00 61.12 H new ATOM 0 HG12 VAL A 163 19.403 -7.211 2.269 1.00 61.12 H new ATOM 0 HG13 VAL A 163 20.891 -7.874 1.552 1.00 61.12 H new ATOM 0 HG21 VAL A 163 22.389 -8.151 4.240 1.00 1.45 H new ATOM 0 HG22 VAL A 163 23.128 -7.463 2.775 1.00 1.45 H new ATOM 0 HG23 VAL A 163 23.104 -6.522 4.285 1.00 1.45 H new ATOM 1108 N ILE A 164 23.371 -4.052 3.136 1.00 50.13 N ATOM 1109 CA ILE A 164 24.101 -3.049 3.906 1.00 64.35 C ATOM 1110 C ILE A 164 23.647 -1.639 3.540 1.00 74.32 C ATOM 1111 O ILE A 164 23.707 -0.722 4.361 1.00 21.45 O ATOM 1112 CB ILE A 164 25.631 -3.183 3.728 1.00 72.12 C ATOM 1113 CG1 ILE A 164 26.022 -3.259 2.247 1.00 60.12 C ATOM 1114 CG2 ILE A 164 26.136 -4.407 4.475 1.00 74.33 C ATOM 1115 CD1 ILE A 164 26.317 -1.919 1.610 1.00 61.22 C ATOM 0 H ILE A 164 23.931 -4.542 2.439 1.00 50.13 H new ATOM 0 HA ILE A 164 23.872 -3.228 4.957 1.00 64.35 H new ATOM 0 HB ILE A 164 26.098 -2.291 4.145 1.00 72.12 H new ATOM 0 HG12 ILE A 164 26.901 -3.896 2.148 1.00 60.12 H new ATOM 0 HG13 ILE A 164 25.215 -3.741 1.695 1.00 60.12 H new ATOM 0 HG21 ILE A 164 27.215 -4.494 4.344 1.00 74.33 H new ATOM 0 HG22 ILE A 164 25.906 -4.306 5.536 1.00 74.33 H new ATOM 0 HG23 ILE A 164 25.650 -5.300 4.081 1.00 74.33 H new ATOM 0 HD11 ILE A 164 26.585 -2.065 0.564 1.00 61.22 H new ATOM 0 HD12 ILE A 164 25.434 -1.284 1.673 1.00 61.22 H new ATOM 0 HD13 ILE A 164 27.145 -1.442 2.133 1.00 61.22 H new ATOM 1127 N GLN A 165 23.189 -1.478 2.308 1.00 4.52 N ATOM 1128 CA GLN A 165 22.648 -0.208 1.851 1.00 71.32 C ATOM 1129 C GLN A 165 21.130 -0.297 1.771 1.00 62.54 C ATOM 1130 O GLN A 165 20.582 -1.331 1.400 1.00 53.24 O ATOM 1131 CB GLN A 165 23.230 0.171 0.484 1.00 22.24 C ATOM 1132 CG GLN A 165 22.684 1.479 -0.072 1.00 14.21 C ATOM 1133 CD GLN A 165 23.268 1.835 -1.424 1.00 52.40 C ATOM 1134 OE1 GLN A 165 24.279 2.531 -1.515 1.00 23.32 O ATOM 1135 NE2 GLN A 165 22.635 1.364 -2.484 1.00 13.31 N ATOM 0 H GLN A 165 23.182 -2.216 1.604 1.00 4.52 H new ATOM 0 HA GLN A 165 22.926 0.568 2.565 1.00 71.32 H new ATOM 0 HB2 GLN A 165 24.314 0.247 0.569 1.00 22.24 H new ATOM 0 HB3 GLN A 165 23.021 -0.630 -0.225 1.00 22.24 H new ATOM 0 HG2 GLN A 165 21.600 1.407 -0.158 1.00 14.21 H new ATOM 0 HG3 GLN A 165 22.895 2.284 0.632 1.00 14.21 H new ATOM 0 HE21 GLN A 165 21.800 0.790 -2.366 1.00 13.31 H new ATOM 0 HE22 GLN A 165 22.982 1.574 -3.420 1.00 13.31 H new ATOM 1144 N LYS A 166 20.453 0.776 2.131 1.00 0.10 N ATOM 1145 CA LYS A 166 19.000 0.785 2.116 1.00 21.35 C ATOM 1146 C LYS A 166 18.471 1.180 0.744 1.00 73.31 C ATOM 1147 O LYS A 166 17.947 0.349 0.016 1.00 72.42 O ATOM 1148 CB LYS A 166 18.467 1.734 3.192 1.00 64.34 C ATOM 1149 CG LYS A 166 16.951 1.768 3.298 1.00 75.30 C ATOM 1150 CD LYS A 166 16.499 2.785 4.332 1.00 2.40 C ATOM 1151 CE LYS A 166 14.987 2.862 4.423 1.00 24.41 C ATOM 1152 NZ LYS A 166 14.535 3.912 5.372 1.00 74.45 N ATOM 0 H LYS A 166 20.882 1.650 2.436 1.00 0.10 H new ATOM 0 HA LYS A 166 18.649 -0.224 2.333 1.00 21.35 H new ATOM 0 HB2 LYS A 166 18.881 1.440 4.157 1.00 64.34 H new ATOM 0 HB3 LYS A 166 18.828 2.741 2.983 1.00 64.34 H new ATOM 0 HG2 LYS A 166 16.521 2.015 2.328 1.00 75.30 H new ATOM 0 HG3 LYS A 166 16.580 0.780 3.569 1.00 75.30 H new ATOM 0 HD2 LYS A 166 16.909 2.519 5.306 1.00 2.40 H new ATOM 0 HD3 LYS A 166 16.898 3.766 4.075 1.00 2.40 H new ATOM 0 HE2 LYS A 166 14.575 3.066 3.435 1.00 24.41 H new ATOM 0 HE3 LYS A 166 14.594 1.896 4.739 1.00 24.41 H new ATOM 0 HZ1 LYS A 166 13.496 3.929 5.402 1.00 74.45 H new ATOM 0 HZ2 LYS A 166 14.905 3.705 6.321 1.00 74.45 H new ATOM 0 HZ3 LYS A 166 14.887 4.839 5.058 1.00 74.45 H new ATOM 1166 N TYR A 167 18.616 2.439 0.382 1.00 42.54 N ATOM 1167 CA TYR A 167 18.059 2.918 -0.871 1.00 32.35 C ATOM 1168 C TYR A 167 18.931 2.540 -2.065 1.00 44.12 C ATOM 1169 O TYR A 167 20.082 2.962 -2.173 1.00 64.11 O ATOM 1170 CB TYR A 167 17.823 4.427 -0.818 1.00 10.40 C ATOM 1171 CG TYR A 167 16.416 4.797 -0.390 1.00 15.44 C ATOM 1172 CD1 TYR A 167 15.628 5.626 -1.179 1.00 40.30 C ATOM 1173 CD2 TYR A 167 15.869 4.308 0.791 1.00 34.44 C ATOM 1174 CE1 TYR A 167 14.340 5.958 -0.803 1.00 53.31 C ATOM 1175 CE2 TYR A 167 14.584 4.637 1.173 1.00 32.04 C ATOM 1176 CZ TYR A 167 13.824 5.461 0.374 1.00 63.34 C ATOM 1177 OH TYR A 167 12.542 5.790 0.755 1.00 72.41 O ATOM 0 H TYR A 167 19.109 3.144 0.930 1.00 42.54 H new ATOM 0 HA TYR A 167 17.097 2.425 -1.009 1.00 32.35 H new ATOM 0 HB2 TYR A 167 18.536 4.876 -0.126 1.00 10.40 H new ATOM 0 HB3 TYR A 167 18.021 4.854 -1.801 1.00 10.40 H new ATOM 0 HD1 TYR A 167 16.029 6.018 -2.102 1.00 40.30 H new ATOM 0 HD2 TYR A 167 16.460 3.659 1.421 1.00 34.44 H new ATOM 0 HE1 TYR A 167 13.741 6.604 -1.428 1.00 53.31 H new ATOM 0 HE2 TYR A 167 14.176 4.249 2.095 1.00 32.04 H new ATOM 0 HH TYR A 167 12.333 5.356 1.608 1.00 72.41 H new ATOM 1187 N HIS A 168 18.361 1.727 -2.946 1.00 13.20 N ATOM 1188 CA HIS A 168 19.014 1.312 -4.181 1.00 42.35 C ATOM 1189 C HIS A 168 18.211 1.808 -5.370 1.00 35.02 C ATOM 1190 O HIS A 168 16.982 1.785 -5.348 1.00 34.44 O ATOM 1191 CB HIS A 168 19.130 -0.213 -4.267 1.00 43.45 C ATOM 1192 CG HIS A 168 20.096 -0.823 -3.296 1.00 2.02 C ATOM 1193 ND1 HIS A 168 21.298 -1.344 -3.711 1.00 13.40 N ATOM 1194 CD2 HIS A 168 19.978 -0.999 -1.958 1.00 63.31 C ATOM 1195 CE1 HIS A 168 21.879 -1.823 -2.627 1.00 34.33 C ATOM 1196 NE2 HIS A 168 21.117 -1.636 -1.540 1.00 21.32 N ATOM 0 H HIS A 168 17.427 1.335 -2.823 1.00 13.20 H new ATOM 0 HA HIS A 168 20.017 1.739 -4.190 1.00 42.35 H new ATOM 0 HB2 HIS A 168 18.145 -0.649 -4.101 1.00 43.45 H new ATOM 0 HB3 HIS A 168 19.432 -0.484 -5.278 1.00 43.45 H new ATOM 0 HD2 HIS A 168 19.146 -0.696 -1.340 1.00 63.31 H new ATOM 0 HE1 HIS A 168 22.846 -2.305 -2.617 1.00 34.33 H new ATOM 0 HE2 HIS A 168 21.342 -1.914 -0.585 1.00 21.32 H new ATOM 1204 N THR A 169 18.895 2.254 -6.402 1.00 4.13 N ATOM 1205 CA THR A 169 18.227 2.748 -7.588 1.00 14.14 C ATOM 1206 C THR A 169 18.041 1.640 -8.619 1.00 21.15 C ATOM 1207 O THR A 169 19.002 1.170 -9.227 1.00 62.42 O ATOM 1208 CB THR A 169 19.011 3.913 -8.207 1.00 53.51 C ATOM 1209 OG1 THR A 169 19.198 4.936 -7.221 1.00 54.43 O ATOM 1210 CG2 THR A 169 18.272 4.483 -9.405 1.00 4.53 C ATOM 0 H THR A 169 19.914 2.285 -6.444 1.00 4.13 H new ATOM 0 HA THR A 169 17.242 3.105 -7.286 1.00 14.14 H new ATOM 0 HB THR A 169 19.979 3.544 -8.545 1.00 53.51 H new ATOM 0 HG1 THR A 169 18.660 4.729 -6.428 1.00 54.43 H new ATOM 0 HG21 THR A 169 18.846 5.308 -9.828 1.00 4.53 H new ATOM 0 HG22 THR A 169 18.145 3.705 -10.158 1.00 4.53 H new ATOM 0 HG23 THR A 169 17.294 4.846 -9.090 1.00 4.53 H new ATOM 1218 N VAL A 170 16.800 1.219 -8.798 1.00 11.13 N ATOM 1219 CA VAL A 170 16.469 0.212 -9.790 1.00 25.11 C ATOM 1220 C VAL A 170 15.481 0.792 -10.791 1.00 61.21 C ATOM 1221 O VAL A 170 14.559 1.510 -10.404 1.00 14.41 O ATOM 1222 CB VAL A 170 15.861 -1.054 -9.148 1.00 72.11 C ATOM 1223 CG1 VAL A 170 15.621 -2.124 -10.204 1.00 1.24 C ATOM 1224 CG2 VAL A 170 16.758 -1.585 -8.039 1.00 51.25 C ATOM 0 H VAL A 170 16.001 1.562 -8.265 1.00 11.13 H new ATOM 0 HA VAL A 170 17.393 -0.077 -10.290 1.00 25.11 H new ATOM 0 HB VAL A 170 14.902 -0.785 -8.706 1.00 72.11 H new ATOM 0 HG11 VAL A 170 15.192 -3.009 -9.734 1.00 1.24 H new ATOM 0 HG12 VAL A 170 14.932 -1.743 -10.958 1.00 1.24 H new ATOM 0 HG13 VAL A 170 16.567 -2.387 -10.677 1.00 1.24 H new ATOM 0 HG21 VAL A 170 16.308 -2.477 -7.603 1.00 51.25 H new ATOM 0 HG22 VAL A 170 17.736 -1.836 -8.451 1.00 51.25 H new ATOM 0 HG23 VAL A 170 16.874 -0.823 -7.268 1.00 51.25 H new ATOM 1234 N ASN A 171 15.713 0.524 -12.077 1.00 3.25 N ATOM 1235 CA ASN A 171 14.848 1.011 -13.165 1.00 23.31 C ATOM 1236 C ASN A 171 14.988 2.526 -13.359 1.00 60.21 C ATOM 1237 O ASN A 171 14.562 3.080 -14.374 1.00 10.14 O ATOM 1238 CB ASN A 171 13.376 0.618 -12.912 1.00 12.33 C ATOM 1239 CG ASN A 171 12.403 1.235 -13.908 1.00 73.32 C ATOM 1240 OD1 ASN A 171 11.844 2.306 -13.669 1.00 30.24 O ATOM 1241 ND2 ASN A 171 12.198 0.567 -15.031 1.00 61.35 N ATOM 0 H ASN A 171 16.503 -0.035 -12.398 1.00 3.25 H new ATOM 0 HA ASN A 171 15.175 0.532 -14.088 1.00 23.31 H new ATOM 0 HB2 ASN A 171 13.286 -0.467 -12.953 1.00 12.33 H new ATOM 0 HB3 ASN A 171 13.095 0.924 -11.904 1.00 12.33 H new ATOM 0 HD21 ASN A 171 11.558 0.936 -15.735 1.00 61.35 H new ATOM 0 HD22 ASN A 171 12.679 -0.317 -15.193 1.00 61.35 H new ATOM 1248 N GLY A 172 15.617 3.188 -12.403 1.00 71.54 N ATOM 1249 CA GLY A 172 15.754 4.624 -12.460 1.00 10.13 C ATOM 1250 C GLY A 172 15.154 5.287 -11.241 1.00 60.03 C ATOM 1251 O GLY A 172 15.240 6.504 -11.079 1.00 73.05 O ATOM 0 H GLY A 172 16.038 2.751 -11.583 1.00 71.54 H new ATOM 0 HA2 GLY A 172 16.809 4.887 -12.536 1.00 10.13 H new ATOM 0 HA3 GLY A 172 15.266 5.002 -13.358 1.00 10.13 H new ATOM 1255 N HIS A 173 14.549 4.485 -10.377 1.00 52.24 N ATOM 1256 CA HIS A 173 13.949 4.998 -9.159 1.00 21.32 C ATOM 1257 C HIS A 173 14.731 4.498 -7.953 1.00 35.22 C ATOM 1258 O HIS A 173 15.156 3.343 -7.915 1.00 73.35 O ATOM 1259 CB HIS A 173 12.482 4.567 -9.054 1.00 33.50 C ATOM 1260 CG HIS A 173 11.742 5.233 -7.934 1.00 34.45 C ATOM 1261 ND1 HIS A 173 11.430 4.562 -6.776 1.00 54.12 N ATOM 1262 CD2 HIS A 173 11.285 6.505 -7.844 1.00 43.22 C ATOM 1263 CE1 HIS A 173 10.798 5.435 -6.012 1.00 30.23 C ATOM 1264 NE2 HIS A 173 10.686 6.625 -6.618 1.00 71.24 N ATOM 0 H HIS A 173 14.462 3.476 -10.499 1.00 52.24 H new ATOM 0 HA HIS A 173 13.983 6.087 -9.184 1.00 21.32 H new ATOM 0 HB2 HIS A 173 11.978 4.789 -9.995 1.00 33.50 H new ATOM 0 HB3 HIS A 173 12.438 3.487 -8.916 1.00 33.50 H new ATOM 0 HD1 HIS A 173 11.643 3.590 -6.552 1.00 54.12 H new ATOM 0 HD2 HIS A 173 11.376 7.276 -8.595 1.00 43.22 H new ATOM 0 HE1 HIS A 173 10.420 5.217 -5.024 1.00 30.23 H new ATOM 1272 N ASN A 174 14.940 5.373 -6.986 1.00 3.23 N ATOM 1273 CA ASN A 174 15.679 5.012 -5.789 1.00 3.21 C ATOM 1274 C ASN A 174 14.723 4.446 -4.744 1.00 43.33 C ATOM 1275 O ASN A 174 13.973 5.187 -4.107 1.00 60.41 O ATOM 1276 CB ASN A 174 16.420 6.233 -5.239 1.00 32.23 C ATOM 1277 CG ASN A 174 17.542 5.859 -4.292 1.00 43.40 C ATOM 1278 OD1 ASN A 174 18.147 4.795 -4.418 1.00 24.12 O ATOM 1279 ND2 ASN A 174 17.845 6.740 -3.354 1.00 74.14 N ATOM 0 H ASN A 174 14.609 6.338 -7.006 1.00 3.23 H new ATOM 0 HA ASN A 174 16.416 4.248 -6.038 1.00 3.21 H new ATOM 0 HB2 ASN A 174 16.828 6.810 -6.069 1.00 32.23 H new ATOM 0 HB3 ASN A 174 15.712 6.879 -4.720 1.00 32.23 H new ATOM 0 HD21 ASN A 174 18.605 6.549 -2.701 1.00 74.14 H new ATOM 0 HD22 ASN A 174 17.319 7.611 -3.283 1.00 74.14 H new ATOM 1286 N CYS A 175 14.742 3.132 -4.590 1.00 43.33 N ATOM 1287 CA CYS A 175 13.808 2.445 -3.713 1.00 60.32 C ATOM 1288 C CYS A 175 14.510 1.963 -2.446 1.00 14.03 C ATOM 1289 O CYS A 175 15.728 2.048 -2.336 1.00 13.21 O ATOM 1290 CB CYS A 175 13.189 1.258 -4.451 1.00 60.53 C ATOM 1291 SG CYS A 175 12.505 1.673 -6.073 1.00 15.01 S ATOM 0 H CYS A 175 15.400 2.515 -5.066 1.00 43.33 H new ATOM 0 HA CYS A 175 13.022 3.143 -3.424 1.00 60.32 H new ATOM 0 HB2 CYS A 175 13.948 0.485 -4.575 1.00 60.53 H new ATOM 0 HB3 CYS A 175 12.398 0.832 -3.833 1.00 60.53 H new ATOM 0 HG CYS A 175 13.410 2.278 -6.784 1.00 15.01 H new ATOM 1297 N GLU A 176 13.739 1.445 -1.503 1.00 73.54 N ATOM 1298 CA GLU A 176 14.275 0.969 -0.234 1.00 3.21 C ATOM 1299 C GLU A 176 14.481 -0.540 -0.267 1.00 74.02 C ATOM 1300 O GLU A 176 13.556 -1.302 -0.546 1.00 72.12 O ATOM 1301 CB GLU A 176 13.325 1.346 0.907 1.00 54.33 C ATOM 1302 CG GLU A 176 13.632 0.656 2.228 1.00 25.13 C ATOM 1303 CD GLU A 176 12.414 0.543 3.124 1.00 54.11 C ATOM 1304 OE1 GLU A 176 12.328 1.299 4.118 1.00 52.53 O ATOM 1305 OE2 GLU A 176 11.547 -0.310 2.848 1.00 13.02 O ATOM 0 H GLU A 176 12.728 1.342 -1.593 1.00 73.54 H new ATOM 0 HA GLU A 176 15.242 1.443 -0.067 1.00 3.21 H new ATOM 0 HB2 GLU A 176 13.364 2.425 1.056 1.00 54.33 H new ATOM 0 HB3 GLU A 176 12.305 1.102 0.611 1.00 54.33 H new ATOM 0 HG2 GLU A 176 14.026 -0.341 2.030 1.00 25.13 H new ATOM 0 HG3 GLU A 176 14.412 1.210 2.750 1.00 25.13 H new ATOM 1312 N VAL A 177 15.699 -0.961 0.005 1.00 13.43 N ATOM 1313 CA VAL A 177 16.033 -2.369 0.054 1.00 33.31 C ATOM 1314 C VAL A 177 16.527 -2.751 1.442 1.00 40.21 C ATOM 1315 O VAL A 177 17.379 -2.077 2.020 1.00 12.42 O ATOM 1316 CB VAL A 177 17.115 -2.726 -0.982 1.00 51.22 C ATOM 1317 CG1 VAL A 177 17.406 -4.217 -0.965 1.00 71.12 C ATOM 1318 CG2 VAL A 177 16.696 -2.271 -2.370 1.00 65.05 C ATOM 0 H VAL A 177 16.483 -0.338 0.198 1.00 13.43 H new ATOM 0 HA VAL A 177 15.126 -2.927 -0.180 1.00 33.31 H new ATOM 0 HB VAL A 177 18.032 -2.201 -0.715 1.00 51.22 H new ATOM 0 HG11 VAL A 177 18.173 -4.446 -1.705 1.00 71.12 H new ATOM 0 HG12 VAL A 177 17.758 -4.508 0.025 1.00 71.12 H new ATOM 0 HG13 VAL A 177 16.496 -4.768 -1.203 1.00 71.12 H new ATOM 0 HG21 VAL A 177 17.473 -2.532 -3.088 1.00 65.05 H new ATOM 0 HG22 VAL A 177 15.764 -2.763 -2.648 1.00 65.05 H new ATOM 0 HG23 VAL A 177 16.550 -1.191 -2.370 1.00 65.05 H new ATOM 1328 N ARG A 178 15.973 -3.823 1.975 1.00 53.53 N ATOM 1329 CA ARG A 178 16.381 -4.341 3.270 1.00 33.55 C ATOM 1330 C ARG A 178 16.316 -5.860 3.262 1.00 61.12 C ATOM 1331 O ARG A 178 15.860 -6.456 2.290 1.00 74.54 O ATOM 1332 CB ARG A 178 15.511 -3.756 4.392 1.00 40.23 C ATOM 1333 CG ARG A 178 14.084 -3.438 3.970 1.00 44.11 C ATOM 1334 CD ARG A 178 13.274 -2.869 5.124 1.00 52.31 C ATOM 1335 NE ARG A 178 12.022 -2.269 4.668 1.00 23.44 N ATOM 1336 CZ ARG A 178 10.941 -2.101 5.428 1.00 50.43 C ATOM 1337 NH1 ARG A 178 10.929 -2.506 6.693 1.00 1.50 N ATOM 1338 NH2 ARG A 178 9.872 -1.508 4.915 1.00 74.31 N ATOM 0 H ARG A 178 15.230 -4.359 1.526 1.00 53.53 H new ATOM 0 HA ARG A 178 17.410 -4.038 3.462 1.00 33.55 H new ATOM 0 HB2 ARG A 178 15.484 -4.462 5.222 1.00 40.23 H new ATOM 0 HB3 ARG A 178 15.980 -2.845 4.763 1.00 40.23 H new ATOM 0 HG2 ARG A 178 14.098 -2.723 3.147 1.00 44.11 H new ATOM 0 HG3 ARG A 178 13.603 -4.343 3.598 1.00 44.11 H new ATOM 0 HD2 ARG A 178 13.057 -3.661 5.840 1.00 52.31 H new ATOM 0 HD3 ARG A 178 13.866 -2.119 5.648 1.00 52.31 H new ATOM 0 HE ARG A 178 11.972 -1.956 3.698 1.00 23.44 H new ATOM 0 HH11 ARG A 178 11.754 -2.952 7.094 1.00 1.50 H new ATOM 0 HH12 ARG A 178 10.094 -2.371 7.264 1.00 1.50 H new ATOM 0 HH21 ARG A 178 9.883 -1.186 3.947 1.00 74.31 H new ATOM 0 HH22 ARG A 178 9.039 -1.374 5.488 1.00 74.31 H new ATOM 1352 N LYS A 179 16.788 -6.484 4.330 1.00 61.34 N ATOM 1353 CA LYS A 179 16.807 -7.939 4.415 1.00 3.22 C ATOM 1354 C LYS A 179 15.378 -8.467 4.515 1.00 74.53 C ATOM 1355 O LYS A 179 14.615 -8.039 5.382 1.00 35.14 O ATOM 1356 CB LYS A 179 17.641 -8.384 5.623 1.00 42.31 C ATOM 1357 CG LYS A 179 18.929 -7.586 5.777 1.00 25.42 C ATOM 1358 CD LYS A 179 19.838 -8.139 6.864 1.00 4.55 C ATOM 1359 CE LYS A 179 20.566 -9.390 6.401 1.00 32.44 C ATOM 1360 NZ LYS A 179 21.643 -9.790 7.345 1.00 14.04 N ATOM 0 H LYS A 179 17.163 -6.008 5.150 1.00 61.34 H new ATOM 0 HA LYS A 179 17.266 -8.349 3.515 1.00 3.22 H new ATOM 0 HB2 LYS A 179 17.044 -8.280 6.529 1.00 42.31 H new ATOM 0 HB3 LYS A 179 17.884 -9.442 5.521 1.00 42.31 H new ATOM 0 HG2 LYS A 179 19.465 -7.583 4.828 1.00 25.42 H new ATOM 0 HG3 LYS A 179 18.684 -6.549 6.007 1.00 25.42 H new ATOM 0 HD2 LYS A 179 20.565 -7.380 7.152 1.00 4.55 H new ATOM 0 HD3 LYS A 179 19.248 -8.368 7.751 1.00 4.55 H new ATOM 0 HE2 LYS A 179 19.852 -10.207 6.298 1.00 32.44 H new ATOM 0 HE3 LYS A 179 20.995 -9.215 5.414 1.00 32.44 H new ATOM 0 HZ1 LYS A 179 22.114 -10.647 6.991 1.00 14.04 H new ATOM 0 HZ2 LYS A 179 22.338 -9.021 7.424 1.00 14.04 H new ATOM 0 HZ3 LYS A 179 21.231 -9.982 8.280 1.00 14.04 H new ATOM 1374 N ALA A 180 15.016 -9.378 3.617 1.00 44.42 N ATOM 1375 CA ALA A 180 13.648 -9.876 3.554 1.00 62.41 C ATOM 1376 C ALA A 180 13.399 -10.951 4.597 1.00 53.12 C ATOM 1377 O ALA A 180 13.609 -12.137 4.345 1.00 0.30 O ATOM 1378 CB ALA A 180 13.322 -10.405 2.165 1.00 13.23 C ATOM 0 H ALA A 180 15.648 -9.784 2.927 1.00 44.42 H new ATOM 0 HA ALA A 180 12.988 -9.036 3.769 1.00 62.41 H new ATOM 0 HB1 ALA A 180 12.295 -10.770 2.147 1.00 13.23 H new ATOM 0 HB2 ALA A 180 13.435 -9.604 1.435 1.00 13.23 H new ATOM 0 HB3 ALA A 180 14.002 -11.220 1.917 1.00 13.23 H new ATOM 1384 N LEU A 181 12.972 -10.526 5.772 1.00 2.34 N ATOM 1385 CA LEU A 181 12.599 -11.451 6.827 1.00 2.23 C ATOM 1386 C LEU A 181 11.143 -11.853 6.655 1.00 54.03 C ATOM 1387 O LEU A 181 10.312 -11.030 6.268 1.00 51.14 O ATOM 1388 CB LEU A 181 12.831 -10.837 8.222 1.00 73.23 C ATOM 1389 CG LEU A 181 11.902 -9.686 8.641 1.00 24.34 C ATOM 1390 CD1 LEU A 181 12.138 -9.333 10.098 1.00 63.33 C ATOM 1391 CD2 LEU A 181 12.107 -8.452 7.776 1.00 11.30 C ATOM 0 H LEU A 181 12.875 -9.542 6.021 1.00 2.34 H new ATOM 0 HA LEU A 181 13.231 -12.336 6.752 1.00 2.23 H new ATOM 0 HB2 LEU A 181 12.740 -11.632 8.962 1.00 73.23 H new ATOM 0 HB3 LEU A 181 13.859 -10.476 8.267 1.00 73.23 H new ATOM 0 HG LEU A 181 10.875 -10.025 8.505 1.00 24.34 H new ATOM 0 HD11 LEU A 181 11.476 -8.517 10.386 1.00 63.33 H new ATOM 0 HD12 LEU A 181 11.933 -10.204 10.721 1.00 63.33 H new ATOM 0 HD13 LEU A 181 13.175 -9.025 10.234 1.00 63.33 H new ATOM 0 HD21 LEU A 181 11.432 -7.661 8.104 1.00 11.30 H new ATOM 0 HD22 LEU A 181 13.138 -8.110 7.868 1.00 11.30 H new ATOM 0 HD23 LEU A 181 11.898 -8.699 6.735 1.00 11.30 H new ATOM 1403 N SER A 182 10.842 -13.117 6.926 1.00 10.42 N ATOM 1404 CA SER A 182 9.492 -13.640 6.764 1.00 52.22 C ATOM 1405 C SER A 182 8.501 -12.851 7.610 1.00 14.54 C ATOM 1406 O SER A 182 8.867 -12.286 8.640 1.00 54.22 O ATOM 1407 CB SER A 182 9.455 -15.122 7.158 1.00 70.40 C ATOM 1408 OG SER A 182 8.131 -15.631 7.127 1.00 61.33 O ATOM 0 H SER A 182 11.519 -13.802 7.261 1.00 10.42 H new ATOM 0 HA SER A 182 9.206 -13.539 5.717 1.00 52.22 H new ATOM 0 HB2 SER A 182 10.084 -15.697 6.478 1.00 70.40 H new ATOM 0 HB3 SER A 182 9.871 -15.245 8.158 1.00 70.40 H new ATOM 0 HG SER A 182 8.138 -16.578 7.381 1.00 61.33 H new ATOM 1414 N LYS A 183 7.245 -12.815 7.174 1.00 72.03 N ATOM 1415 CA LYS A 183 6.188 -12.164 7.939 1.00 23.51 C ATOM 1416 C LYS A 183 6.042 -12.821 9.309 1.00 44.42 C ATOM 1417 O LYS A 183 5.531 -12.219 10.253 1.00 32.22 O ATOM 1418 CB LYS A 183 4.862 -12.208 7.174 1.00 62.15 C ATOM 1419 CG LYS A 183 4.440 -13.599 6.736 1.00 61.21 C ATOM 1420 CD LYS A 183 3.129 -13.557 5.971 1.00 54.31 C ATOM 1421 CE LYS A 183 2.729 -14.930 5.456 1.00 61.44 C ATOM 1422 NZ LYS A 183 2.325 -15.852 6.551 1.00 70.13 N ATOM 0 H LYS A 183 6.935 -13.229 6.295 1.00 72.03 H new ATOM 0 HA LYS A 183 6.461 -11.119 8.085 1.00 23.51 H new ATOM 0 HB2 LYS A 183 4.079 -11.784 7.803 1.00 62.15 H new ATOM 0 HB3 LYS A 183 4.943 -11.571 6.293 1.00 62.15 H new ATOM 0 HG2 LYS A 183 5.216 -14.037 6.109 1.00 61.21 H new ATOM 0 HG3 LYS A 183 4.334 -14.242 7.610 1.00 61.21 H new ATOM 0 HD2 LYS A 183 2.343 -13.169 6.619 1.00 54.31 H new ATOM 0 HD3 LYS A 183 3.220 -12.867 5.132 1.00 54.31 H new ATOM 0 HE2 LYS A 183 1.904 -14.824 4.751 1.00 61.44 H new ATOM 0 HE3 LYS A 183 3.564 -15.366 4.907 1.00 61.44 H new ATOM 0 HZ1 LYS A 183 2.062 -16.774 6.149 1.00 70.13 H new ATOM 0 HZ2 LYS A 183 3.119 -15.976 7.211 1.00 70.13 H new ATOM 0 HZ3 LYS A 183 1.511 -15.451 7.060 1.00 70.13 H new ATOM 1436 N GLN A 184 6.508 -14.059 9.402 1.00 11.45 N ATOM 1437 CA GLN A 184 6.554 -14.781 10.661 1.00 62.53 C ATOM 1438 C GLN A 184 7.608 -14.148 11.564 1.00 25.22 C ATOM 1439 O GLN A 184 7.346 -13.814 12.724 1.00 54.34 O ATOM 1440 CB GLN A 184 6.889 -16.253 10.374 1.00 51.34 C ATOM 1441 CG GLN A 184 6.685 -17.212 11.543 1.00 21.43 C ATOM 1442 CD GLN A 184 7.819 -17.186 12.554 1.00 12.45 C ATOM 1443 OE1 GLN A 184 7.773 -16.461 13.548 1.00 14.34 O ATOM 1444 NE2 GLN A 184 8.855 -17.969 12.297 1.00 71.23 N ATOM 0 H GLN A 184 6.864 -14.589 8.606 1.00 11.45 H new ATOM 0 HA GLN A 184 5.591 -14.731 11.168 1.00 62.53 H new ATOM 0 HB2 GLN A 184 6.276 -16.591 9.538 1.00 51.34 H new ATOM 0 HB3 GLN A 184 7.929 -16.315 10.053 1.00 51.34 H new ATOM 0 HG2 GLN A 184 5.752 -16.962 12.049 1.00 21.43 H new ATOM 0 HG3 GLN A 184 6.577 -18.225 11.157 1.00 21.43 H new ATOM 0 HE21 GLN A 184 8.856 -18.556 11.463 1.00 71.23 H new ATOM 0 HE22 GLN A 184 9.652 -17.986 12.933 1.00 71.23 H new ATOM 1453 N GLU A 185 8.790 -13.948 10.998 1.00 51.14 N ATOM 1454 CA GLU A 185 9.929 -13.429 11.739 1.00 25.12 C ATOM 1455 C GLU A 185 9.763 -11.948 12.032 1.00 34.32 C ATOM 1456 O GLU A 185 10.125 -11.478 13.108 1.00 31.45 O ATOM 1457 CB GLU A 185 11.215 -13.638 10.940 1.00 22.24 C ATOM 1458 CG GLU A 185 11.405 -15.055 10.434 1.00 11.00 C ATOM 1459 CD GLU A 185 12.613 -15.177 9.533 1.00 74.11 C ATOM 1460 OE1 GLU A 185 13.654 -15.693 9.992 1.00 33.20 O ATOM 1461 OE2 GLU A 185 12.535 -14.744 8.365 1.00 2.32 O ATOM 0 H GLU A 185 8.985 -14.140 10.016 1.00 51.14 H new ATOM 0 HA GLU A 185 9.986 -13.971 12.683 1.00 25.12 H new ATOM 0 HB2 GLU A 185 11.217 -12.956 10.089 1.00 22.24 H new ATOM 0 HB3 GLU A 185 12.066 -13.369 11.565 1.00 22.24 H new ATOM 0 HG2 GLU A 185 11.515 -15.731 11.282 1.00 11.00 H new ATOM 0 HG3 GLU A 185 10.514 -15.368 9.890 1.00 11.00 H new ATOM 1468 N MET A 186 9.207 -11.218 11.072 1.00 3.02 N ATOM 1469 CA MET A 186 9.085 -9.769 11.181 1.00 53.54 C ATOM 1470 C MET A 186 8.180 -9.380 12.343 1.00 71.12 C ATOM 1471 O MET A 186 8.297 -8.286 12.890 1.00 34.45 O ATOM 1472 CB MET A 186 8.569 -9.165 9.867 1.00 60.20 C ATOM 1473 CG MET A 186 7.067 -9.300 9.664 1.00 71.32 C ATOM 1474 SD MET A 186 6.510 -8.592 8.101 1.00 64.14 S ATOM 1475 CE MET A 186 7.015 -6.886 8.303 1.00 22.34 C ATOM 0 H MET A 186 8.832 -11.607 10.207 1.00 3.02 H new ATOM 0 HA MET A 186 10.078 -9.364 11.378 1.00 53.54 H new ATOM 0 HB2 MET A 186 8.834 -8.108 9.837 1.00 60.20 H new ATOM 0 HB3 MET A 186 9.081 -9.646 9.034 1.00 60.20 H new ATOM 0 HG2 MET A 186 6.793 -10.354 9.699 1.00 71.32 H new ATOM 0 HG3 MET A 186 6.548 -8.808 10.487 1.00 71.32 H new ATOM 0 HE1 MET A 186 6.463 -6.258 7.604 1.00 22.34 H new ATOM 0 HE2 MET A 186 6.807 -6.563 9.323 1.00 22.34 H new ATOM 0 HE3 MET A 186 8.083 -6.797 8.105 1.00 22.34 H new