USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 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 HD1:sc= 1.06 K(o=2.3,f=-5.8!) USER MOD Set 1.2: A 175 CYS SG : rot -17:sc= 1.27 USER MOD Set 2.1: A 124 TYR OH : rot 16:sc= 0.936 USER MOD Set 2.2: A 128 TYR OH : rot -164:sc= 0.355 USER MOD Set 2.3: A 165 GLN : amide:sc= -1.53 K(o=-3.9,f=-1.4) USER MOD Set 2.4: A 168 HIS : no HD1:sc= -3.62 K(o=-3.9,f=-8.4!) USER MOD Set 3.1: A 120 HIS : no HE2:sc= 0.626 K(o=0.5,f=-5.2!) USER MOD Set 3.2: A 171 ASN : amide:sc= -0.128 K(o=0.5,f=-2.1) USER MOD Set 4.1: A 105 LYS NZ :NH3+ 139:sc= 0.147 (180deg=-0.0148) USER MOD Set 4.2: A 156 HIS : no HD1:sc= -0.377 K(o=-0.23,f=-1.5) USER MOD Single : A 106 LYS NZ :NH3+ -159:sc= 1.02 (180deg=0.862) USER MOD Single : A 119 HIS : no HD1:sc= -2.02 K(o=-2,f=-0.11) USER MOD Single : A 127 GLN : amide:sc= 1.07 K(o=1.1,f=-0.34) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -131:sc= -3.21! USER MOD Single : A 158 SER OG : rot 170:sc= -1.67! USER MOD Single : A 161 LYS NZ :NH3+ 163:sc= 1.32 (180deg=0.374) 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 174 ASN : amide:sc= -0.665 K(o=-0.67,f=1.1) USER MOD Single : A 179 LYS NZ :NH3+ -146:sc= -1.45 (180deg=-2.9!) USER MOD Single : A 182 SER OG : rot 180:sc= 0.00219 USER MOD Single : A 183 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00419) USER MOD Single : A 184 GLN : amide:sc= -0.0282 X(o=-0.028,f=0.14) USER MOD Single : A 186 MET CE :methyl -107:sc= -0.467 (180deg=-0.846) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 20.998 -14.288 5.157 1.00 51.31 N ATOM 137 CA VAL A 104 19.751 -14.140 4.431 1.00 22.22 C ATOM 138 C VAL A 104 19.978 -14.370 2.934 1.00 14.25 C ATOM 139 O VAL A 104 20.979 -13.924 2.382 1.00 41.45 O ATOM 140 CB VAL A 104 19.146 -12.737 4.702 1.00 74.33 C ATOM 141 CG1 VAL A 104 19.992 -11.635 4.089 1.00 13.42 C ATOM 142 CG2 VAL A 104 17.714 -12.639 4.218 1.00 12.50 C ATOM 0 HA VAL A 104 19.040 -14.890 4.779 1.00 22.22 H new ATOM 0 HB VAL A 104 19.144 -12.600 5.783 1.00 74.33 H new ATOM 0 HG11 VAL A 104 19.537 -10.667 4.300 1.00 13.42 H new ATOM 0 HG12 VAL A 104 20.994 -11.665 4.516 1.00 13.42 H new ATOM 0 HG13 VAL A 104 20.053 -11.780 3.010 1.00 13.42 H new ATOM 0 HG21 VAL A 104 17.327 -11.642 4.426 1.00 12.50 H new ATOM 0 HG22 VAL A 104 17.679 -12.825 3.145 1.00 12.50 H new ATOM 0 HG23 VAL A 104 17.104 -13.380 4.734 1.00 12.50 H new ATOM 152 N LYS A 105 19.084 -15.116 2.293 1.00 53.31 N ATOM 153 CA LYS A 105 19.219 -15.391 0.860 1.00 13.43 C ATOM 154 C LYS A 105 18.218 -14.580 0.056 1.00 33.40 C ATOM 155 O LYS A 105 18.181 -14.658 -1.165 1.00 12.04 O ATOM 156 CB LYS A 105 19.035 -16.882 0.542 1.00 32.10 C ATOM 157 CG LYS A 105 20.102 -17.776 1.146 1.00 54.30 C ATOM 158 CD LYS A 105 19.815 -18.070 2.603 1.00 11.22 C ATOM 159 CE LYS A 105 21.085 -18.091 3.424 1.00 25.24 C ATOM 160 NZ LYS A 105 22.036 -19.139 2.966 1.00 34.41 N ATOM 0 H LYS A 105 18.266 -15.538 2.733 1.00 53.31 H new ATOM 0 HA LYS A 105 20.232 -15.101 0.579 1.00 13.43 H new ATOM 0 HB2 LYS A 105 18.058 -17.203 0.904 1.00 32.10 H new ATOM 0 HB3 LYS A 105 19.033 -17.015 -0.540 1.00 32.10 H new ATOM 0 HG2 LYS A 105 20.154 -18.711 0.588 1.00 54.30 H new ATOM 0 HG3 LYS A 105 21.076 -17.295 1.055 1.00 54.30 H new ATOM 0 HD2 LYS A 105 19.136 -17.316 3.001 1.00 11.22 H new ATOM 0 HD3 LYS A 105 19.309 -19.032 2.689 1.00 11.22 H new ATOM 0 HE2 LYS A 105 21.568 -17.115 3.367 1.00 25.24 H new ATOM 0 HE3 LYS A 105 20.835 -18.263 4.471 1.00 25.24 H new ATOM 0 HZ1 LYS A 105 23.004 -18.760 2.982 1.00 34.41 H new ATOM 0 HZ2 LYS A 105 21.976 -19.962 3.599 1.00 34.41 H new ATOM 0 HZ3 LYS A 105 21.793 -19.429 1.997 1.00 34.41 H new ATOM 174 N LYS A 106 17.410 -13.805 0.747 1.00 41.31 N ATOM 175 CA LYS A 106 16.398 -12.995 0.085 1.00 30.32 C ATOM 176 C LYS A 106 16.397 -11.577 0.634 1.00 63.55 C ATOM 177 O LYS A 106 16.501 -11.363 1.839 1.00 40.51 O ATOM 178 CB LYS A 106 15.011 -13.632 0.234 1.00 2.14 C ATOM 179 CG LYS A 106 13.897 -12.828 -0.424 1.00 73.52 C ATOM 180 CD LYS A 106 12.802 -13.727 -0.979 1.00 13.11 C ATOM 181 CE LYS A 106 12.048 -14.464 0.111 1.00 3.41 C ATOM 182 NZ LYS A 106 11.118 -15.472 -0.454 1.00 5.04 N ATOM 0 H LYS A 106 17.430 -13.715 1.763 1.00 41.31 H new ATOM 0 HA LYS A 106 16.642 -12.949 -0.976 1.00 30.32 H new ATOM 0 HB2 LYS A 106 15.031 -14.632 -0.200 1.00 2.14 H new ATOM 0 HB3 LYS A 106 14.786 -13.749 1.294 1.00 2.14 H new ATOM 0 HG2 LYS A 106 13.468 -12.139 0.304 1.00 73.52 H new ATOM 0 HG3 LYS A 106 14.313 -12.222 -1.229 1.00 73.52 H new ATOM 0 HD2 LYS A 106 12.101 -13.126 -1.558 1.00 13.11 H new ATOM 0 HD3 LYS A 106 13.243 -14.451 -1.664 1.00 13.11 H new ATOM 0 HE2 LYS A 106 12.758 -14.956 0.776 1.00 3.41 H new ATOM 0 HE3 LYS A 106 11.488 -13.749 0.714 1.00 3.41 H new ATOM 0 HZ1 LYS A 106 10.384 -15.698 0.247 1.00 5.04 H new ATOM 0 HZ2 LYS A 106 10.672 -15.090 -1.312 1.00 5.04 H new ATOM 0 HZ3 LYS A 106 11.646 -16.336 -0.693 1.00 5.04 H new ATOM 196 N ILE A 107 16.299 -10.609 -0.257 1.00 11.15 N ATOM 197 CA ILE A 107 16.255 -9.217 0.146 1.00 34.04 C ATOM 198 C ILE A 107 14.857 -8.646 -0.048 1.00 1.44 C ATOM 199 O ILE A 107 14.039 -9.210 -0.778 1.00 71.50 O ATOM 200 CB ILE A 107 17.251 -8.360 -0.647 1.00 30.02 C ATOM 201 CG1 ILE A 107 16.838 -8.312 -2.110 1.00 54.12 C ATOM 202 CG2 ILE A 107 18.662 -8.910 -0.502 1.00 43.34 C ATOM 203 CD1 ILE A 107 17.320 -7.075 -2.811 1.00 11.15 C ATOM 0 H ILE A 107 16.248 -10.761 -1.264 1.00 11.15 H new ATOM 0 HA ILE A 107 16.528 -9.187 1.201 1.00 34.04 H new ATOM 0 HB ILE A 107 17.243 -7.346 -0.248 1.00 30.02 H new ATOM 0 HG12 ILE A 107 17.230 -9.190 -2.622 1.00 54.12 H new ATOM 0 HG13 ILE A 107 15.751 -8.362 -2.178 1.00 54.12 H new ATOM 0 HG21 ILE A 107 19.355 -8.290 -1.071 1.00 43.34 H new ATOM 0 HG22 ILE A 107 18.949 -8.903 0.550 1.00 43.34 H new ATOM 0 HG23 ILE A 107 18.695 -9.932 -0.881 1.00 43.34 H new ATOM 0 HD11 ILE A 107 16.995 -7.096 -3.851 1.00 11.15 H new ATOM 0 HD12 ILE A 107 16.907 -6.194 -2.320 1.00 11.15 H new ATOM 0 HD13 ILE A 107 18.409 -7.035 -2.771 1.00 11.15 H new ATOM 215 N PHE A 108 14.598 -7.527 0.600 1.00 61.03 N ATOM 216 CA PHE A 108 13.314 -6.860 0.504 1.00 31.31 C ATOM 217 C PHE A 108 13.458 -5.561 -0.268 1.00 5.41 C ATOM 218 O PHE A 108 14.198 -4.668 0.142 1.00 32.21 O ATOM 219 CB PHE A 108 12.749 -6.584 1.903 1.00 53.21 C ATOM 220 CG PHE A 108 11.535 -5.694 1.907 1.00 12.33 C ATOM 221 CD1 PHE A 108 10.316 -6.157 1.440 1.00 44.55 C ATOM 222 CD2 PHE A 108 11.617 -4.393 2.378 1.00 44.12 C ATOM 223 CE1 PHE A 108 9.202 -5.341 1.442 1.00 54.43 C ATOM 224 CE2 PHE A 108 10.506 -3.571 2.383 1.00 12.13 C ATOM 225 CZ PHE A 108 9.297 -4.046 1.914 1.00 1.15 C ATOM 0 H PHE A 108 15.269 -7.056 1.206 1.00 61.03 H new ATOM 0 HA PHE A 108 12.621 -7.512 -0.028 1.00 31.31 H new ATOM 0 HB2 PHE A 108 12.493 -7.533 2.374 1.00 53.21 H new ATOM 0 HB3 PHE A 108 13.526 -6.124 2.514 1.00 53.21 H new ATOM 0 HD1 PHE A 108 10.236 -7.168 1.070 1.00 44.55 H new ATOM 0 HD2 PHE A 108 12.560 -4.017 2.746 1.00 44.12 H new ATOM 0 HE1 PHE A 108 8.258 -5.715 1.075 1.00 54.43 H new ATOM 0 HE2 PHE A 108 10.583 -2.559 2.753 1.00 12.13 H new ATOM 0 HZ PHE A 108 8.427 -3.406 1.916 1.00 1.15 H new ATOM 235 N VAL A 109 12.770 -5.474 -1.393 1.00 41.13 N ATOM 236 CA VAL A 109 12.742 -4.253 -2.177 1.00 41.32 C ATOM 237 C VAL A 109 11.385 -3.582 -2.024 1.00 4.22 C ATOM 238 O VAL A 109 10.393 -4.025 -2.609 1.00 54.33 O ATOM 239 CB VAL A 109 13.014 -4.524 -3.673 1.00 73.30 C ATOM 240 CG1 VAL A 109 13.129 -3.217 -4.446 1.00 40.32 C ATOM 241 CG2 VAL A 109 14.270 -5.363 -3.846 1.00 22.11 C ATOM 0 H VAL A 109 12.221 -6.239 -1.785 1.00 41.13 H new ATOM 0 HA VAL A 109 13.532 -3.600 -1.805 1.00 41.32 H new ATOM 0 HB VAL A 109 12.171 -5.084 -4.077 1.00 73.30 H new ATOM 0 HG11 VAL A 109 13.321 -3.432 -5.497 1.00 40.32 H new ATOM 0 HG12 VAL A 109 12.199 -2.657 -4.354 1.00 40.32 H new ATOM 0 HG13 VAL A 109 13.950 -2.626 -4.041 1.00 40.32 H new ATOM 0 HG21 VAL A 109 14.444 -5.543 -4.907 1.00 22.11 H new ATOM 0 HG22 VAL A 109 15.123 -4.832 -3.423 1.00 22.11 H new ATOM 0 HG23 VAL A 109 14.145 -6.316 -3.332 1.00 22.11 H new ATOM 251 N GLY A 110 11.337 -2.534 -1.219 1.00 12.23 N ATOM 252 CA GLY A 110 10.087 -1.848 -0.975 1.00 72.34 C ATOM 253 C GLY A 110 10.119 -0.411 -1.442 1.00 40.40 C ATOM 254 O GLY A 110 11.104 0.296 -1.230 1.00 14.03 O ATOM 0 H GLY A 110 12.143 -2.145 -0.729 1.00 12.23 H new ATOM 0 HA2 GLY A 110 9.281 -2.375 -1.485 1.00 72.34 H new ATOM 0 HA3 GLY A 110 9.862 -1.876 0.091 1.00 72.34 H new ATOM 347 N GLU A 117 9.307 -4.820 -12.414 1.00 34.14 N ATOM 348 CA GLU A 117 9.096 -6.261 -12.392 1.00 12.32 C ATOM 349 C GLU A 117 10.391 -7.029 -12.107 1.00 12.34 C ATOM 350 O GLU A 117 11.399 -6.452 -11.689 1.00 61.44 O ATOM 351 CB GLU A 117 8.519 -6.720 -13.731 1.00 22.10 C ATOM 352 CG GLU A 117 9.507 -6.628 -14.873 1.00 54.53 C ATOM 353 CD GLU A 117 9.322 -7.729 -15.889 1.00 2.11 C ATOM 354 OE1 GLU A 117 9.871 -8.830 -15.669 1.00 12.03 O ATOM 355 OE2 GLU A 117 8.638 -7.506 -16.906 1.00 14.30 O ATOM 0 HA GLU A 117 8.395 -6.476 -11.585 1.00 12.32 H new ATOM 0 HB2 GLU A 117 8.178 -7.751 -13.637 1.00 22.10 H new ATOM 0 HB3 GLU A 117 7.644 -6.115 -13.968 1.00 22.10 H new ATOM 0 HG2 GLU A 117 9.399 -5.662 -15.366 1.00 54.53 H new ATOM 0 HG3 GLU A 117 10.521 -6.671 -14.476 1.00 54.53 H new ATOM 362 N GLU A 118 10.340 -8.340 -12.354 1.00 42.24 N ATOM 363 CA GLU A 118 11.464 -9.240 -12.127 1.00 74.34 C ATOM 364 C GLU A 118 12.674 -8.844 -12.965 1.00 10.42 C ATOM 365 O GLU A 118 13.786 -8.751 -12.441 1.00 31.13 O ATOM 366 CB GLU A 118 11.022 -10.690 -12.413 1.00 32.53 C ATOM 367 CG GLU A 118 12.139 -11.731 -12.459 1.00 4.44 C ATOM 368 CD GLU A 118 12.782 -11.890 -13.821 1.00 43.01 C ATOM 369 OE1 GLU A 118 12.085 -12.311 -14.766 1.00 12.43 O ATOM 370 OE2 GLU A 118 13.995 -11.631 -13.946 1.00 61.03 O ATOM 0 H GLU A 118 9.510 -8.806 -12.720 1.00 42.24 H new ATOM 0 HA GLU A 118 11.773 -9.167 -11.084 1.00 74.34 H new ATOM 0 HB2 GLU A 118 10.305 -10.988 -11.648 1.00 32.53 H new ATOM 0 HB3 GLU A 118 10.496 -10.707 -13.367 1.00 32.53 H new ATOM 0 HG2 GLU A 118 12.907 -11.456 -11.737 1.00 4.44 H new ATOM 0 HG3 GLU A 118 11.736 -12.694 -12.145 1.00 4.44 H new ATOM 377 N HIS A 119 12.457 -8.581 -14.252 1.00 23.51 N ATOM 378 CA HIS A 119 13.565 -8.266 -15.150 1.00 71.11 C ATOM 379 C HIS A 119 14.261 -6.978 -14.711 1.00 32.03 C ATOM 380 O HIS A 119 15.468 -6.824 -14.891 1.00 75.53 O ATOM 381 CB HIS A 119 13.085 -8.188 -16.617 1.00 72.31 C ATOM 382 CG HIS A 119 12.911 -6.801 -17.176 1.00 1.41 C ATOM 383 ND1 HIS A 119 13.946 -6.151 -17.802 1.00 12.12 N ATOM 384 CD2 HIS A 119 11.816 -6.005 -17.198 1.00 12.14 C ATOM 385 CE1 HIS A 119 13.463 -4.986 -18.187 1.00 43.10 C ATOM 386 NE2 HIS A 119 12.175 -4.850 -17.846 1.00 44.53 N ATOM 0 H HIS A 119 11.537 -8.579 -14.692 1.00 23.51 H new ATOM 0 HA HIS A 119 14.296 -9.073 -15.094 1.00 71.11 H new ATOM 0 HB2 HIS A 119 13.799 -8.724 -17.242 1.00 72.31 H new ATOM 0 HB3 HIS A 119 12.133 -8.714 -16.697 1.00 72.31 H new ATOM 0 HD2 HIS A 119 10.845 -6.235 -16.784 1.00 12.14 H new ATOM 0 HE1 HIS A 119 14.035 -4.235 -18.712 1.00 43.10 H new ATOM 0 HE2 HIS A 119 11.577 -4.045 -18.032 1.00 44.53 H new ATOM 394 N HIS A 120 13.498 -6.069 -14.112 1.00 4.33 N ATOM 395 CA HIS A 120 14.045 -4.815 -13.611 1.00 52.34 C ATOM 396 C HIS A 120 14.995 -5.071 -12.448 1.00 10.22 C ATOM 397 O HIS A 120 16.180 -4.729 -12.509 1.00 64.32 O ATOM 398 CB HIS A 120 12.923 -3.882 -13.153 1.00 64.42 C ATOM 399 CG HIS A 120 12.124 -3.294 -14.267 1.00 11.00 C ATOM 400 ND1 HIS A 120 10.839 -3.700 -14.514 1.00 62.32 N ATOM 401 CD2 HIS A 120 12.461 -2.324 -15.148 1.00 22.21 C ATOM 402 CE1 HIS A 120 10.418 -2.972 -15.533 1.00 30.32 C ATOM 403 NE2 HIS A 120 11.368 -2.125 -15.951 1.00 64.01 N ATOM 0 H HIS A 120 12.495 -6.179 -13.962 1.00 4.33 H new ATOM 0 HA HIS A 120 14.594 -4.341 -14.425 1.00 52.34 H new ATOM 0 HB2 HIS A 120 12.254 -4.434 -12.493 1.00 64.42 H new ATOM 0 HB3 HIS A 120 13.356 -3.073 -12.565 1.00 64.42 H new ATOM 0 HD1 HIS A 120 10.315 -4.418 -14.014 1.00 62.32 H new ATOM 0 HD2 HIS A 120 13.407 -1.807 -15.207 1.00 22.21 H new ATOM 0 HE1 HIS A 120 9.435 -3.050 -15.972 1.00 30.32 H new ATOM 411 N LEU A 121 14.467 -5.682 -11.396 1.00 5.43 N ATOM 412 CA LEU A 121 15.241 -5.950 -10.190 1.00 23.30 C ATOM 413 C LEU A 121 16.443 -6.834 -10.488 1.00 20.05 C ATOM 414 O LEU A 121 17.562 -6.526 -10.081 1.00 43.41 O ATOM 415 CB LEU A 121 14.364 -6.600 -9.113 1.00 22.32 C ATOM 416 CG LEU A 121 13.597 -5.625 -8.207 1.00 22.02 C ATOM 417 CD1 LEU A 121 12.816 -4.616 -9.022 1.00 11.22 C ATOM 418 CD2 LEU A 121 12.653 -6.381 -7.289 1.00 31.30 C ATOM 0 H LEU A 121 13.500 -6.003 -11.353 1.00 5.43 H new ATOM 0 HA LEU A 121 15.606 -4.993 -9.816 1.00 23.30 H new ATOM 0 HB2 LEU A 121 13.644 -7.256 -9.603 1.00 22.32 H new ATOM 0 HB3 LEU A 121 14.995 -7.230 -8.487 1.00 22.32 H new ATOM 0 HG LEU A 121 14.331 -5.089 -7.605 1.00 22.02 H new ATOM 0 HD11 LEU A 121 12.284 -3.940 -8.352 1.00 11.22 H new ATOM 0 HD12 LEU A 121 13.502 -4.043 -9.646 1.00 11.22 H new ATOM 0 HD13 LEU A 121 12.099 -5.137 -9.656 1.00 11.22 H new ATOM 0 HD21 LEU A 121 12.118 -5.674 -6.655 1.00 31.30 H new ATOM 0 HD22 LEU A 121 11.937 -6.945 -7.887 1.00 31.30 H new ATOM 0 HD23 LEU A 121 13.225 -7.068 -6.665 1.00 31.30 H new ATOM 430 N ARG A 122 16.218 -7.917 -11.215 1.00 22.22 N ATOM 431 CA ARG A 122 17.287 -8.852 -11.517 1.00 25.15 C ATOM 432 C ARG A 122 18.392 -8.188 -12.332 1.00 14.44 C ATOM 433 O ARG A 122 19.564 -8.387 -12.048 1.00 41.10 O ATOM 434 CB ARG A 122 16.743 -10.091 -12.229 1.00 42.55 C ATOM 435 CG ARG A 122 17.828 -10.962 -12.843 1.00 30.01 C ATOM 436 CD ARG A 122 17.572 -12.437 -12.600 1.00 11.03 C ATOM 437 NE ARG A 122 16.330 -12.896 -13.207 1.00 23.00 N ATOM 438 CZ ARG A 122 16.140 -14.135 -13.653 1.00 32.13 C ATOM 439 NH1 ARG A 122 17.120 -15.030 -13.584 1.00 24.54 N ATOM 440 NH2 ARG A 122 14.969 -14.475 -14.174 1.00 32.53 N ATOM 0 H ARG A 122 15.309 -8.168 -11.605 1.00 22.22 H new ATOM 0 HA ARG A 122 17.725 -9.173 -10.572 1.00 25.15 H new ATOM 0 HB2 ARG A 122 16.169 -10.686 -11.519 1.00 42.55 H new ATOM 0 HB3 ARG A 122 16.053 -9.777 -13.012 1.00 42.55 H new ATOM 0 HG2 ARG A 122 17.881 -10.774 -13.915 1.00 30.01 H new ATOM 0 HG3 ARG A 122 18.796 -10.687 -12.423 1.00 30.01 H new ATOM 0 HD2 ARG A 122 18.404 -13.017 -12.999 1.00 11.03 H new ATOM 0 HD3 ARG A 122 17.539 -12.625 -11.527 1.00 11.03 H new ATOM 0 HE ARG A 122 15.563 -12.230 -13.295 1.00 23.00 H new ATOM 0 HH11 ARG A 122 18.023 -14.768 -13.188 1.00 24.54 H new ATOM 0 HH12 ARG A 122 16.969 -15.979 -13.927 1.00 24.54 H new ATOM 0 HH21 ARG A 122 14.218 -13.788 -14.232 1.00 32.53 H new ATOM 0 HH22 ARG A 122 14.820 -15.424 -14.517 1.00 32.53 H new ATOM 454 N ASP A 123 18.018 -7.369 -13.310 1.00 44.21 N ATOM 455 CA ASP A 123 18.997 -6.664 -14.145 1.00 13.13 C ATOM 456 C ASP A 123 19.933 -5.812 -13.292 1.00 24.12 C ATOM 457 O ASP A 123 21.099 -5.606 -13.631 1.00 1.03 O ATOM 458 CB ASP A 123 18.283 -5.782 -15.172 1.00 51.14 C ATOM 459 CG ASP A 123 19.224 -4.862 -15.925 1.00 14.31 C ATOM 460 OD1 ASP A 123 19.874 -5.319 -16.889 1.00 42.05 O ATOM 461 OD2 ASP A 123 19.302 -3.668 -15.568 1.00 71.41 O ATOM 0 H ASP A 123 17.045 -7.174 -13.547 1.00 44.21 H new ATOM 0 HA ASP A 123 19.593 -7.412 -14.668 1.00 13.13 H new ATOM 0 HB2 ASP A 123 17.758 -6.418 -15.885 1.00 51.14 H new ATOM 0 HB3 ASP A 123 17.528 -5.182 -14.664 1.00 51.14 H new ATOM 466 N TYR A 124 19.416 -5.333 -12.175 1.00 73.10 N ATOM 467 CA TYR A 124 20.186 -4.497 -11.273 1.00 51.20 C ATOM 468 C TYR A 124 20.950 -5.344 -10.251 1.00 64.31 C ATOM 469 O TYR A 124 22.141 -5.151 -10.044 1.00 20.20 O ATOM 470 CB TYR A 124 19.247 -3.509 -10.572 1.00 34.50 C ATOM 471 CG TYR A 124 19.903 -2.642 -9.521 1.00 45.34 C ATOM 472 CD1 TYR A 124 19.481 -2.700 -8.200 1.00 53.35 C ATOM 473 CD2 TYR A 124 20.932 -1.764 -9.843 1.00 70.33 C ATOM 474 CE1 TYR A 124 20.062 -1.913 -7.230 1.00 33.12 C ATOM 475 CE2 TYR A 124 21.521 -0.972 -8.875 1.00 61.31 C ATOM 476 CZ TYR A 124 21.081 -1.051 -7.570 1.00 60.04 C ATOM 477 OH TYR A 124 21.663 -0.268 -6.598 1.00 51.31 O ATOM 0 H TYR A 124 18.459 -5.511 -11.870 1.00 73.10 H new ATOM 0 HA TYR A 124 20.925 -3.941 -11.850 1.00 51.20 H new ATOM 0 HB2 TYR A 124 18.796 -2.863 -11.325 1.00 34.50 H new ATOM 0 HB3 TYR A 124 18.437 -4.069 -10.106 1.00 34.50 H new ATOM 0 HD1 TYR A 124 18.683 -3.374 -7.928 1.00 53.35 H new ATOM 0 HD2 TYR A 124 21.276 -1.700 -10.865 1.00 70.33 H new ATOM 0 HE1 TYR A 124 19.720 -1.972 -6.207 1.00 33.12 H new ATOM 0 HE2 TYR A 124 22.321 -0.296 -9.139 1.00 61.31 H new ATOM 0 HH TYR A 124 21.431 -0.619 -5.713 1.00 51.31 H new ATOM 487 N PHE A 125 20.279 -6.305 -9.638 1.00 3.13 N ATOM 488 CA PHE A 125 20.880 -7.067 -8.546 1.00 1.31 C ATOM 489 C PHE A 125 21.817 -8.172 -9.047 1.00 11.40 C ATOM 490 O PHE A 125 22.586 -8.743 -8.269 1.00 3.43 O ATOM 491 CB PHE A 125 19.790 -7.650 -7.642 1.00 11.24 C ATOM 492 CG PHE A 125 19.017 -6.598 -6.892 1.00 32.35 C ATOM 493 CD1 PHE A 125 17.651 -6.462 -7.069 1.00 3.20 C ATOM 494 CD2 PHE A 125 19.665 -5.736 -6.023 1.00 31.42 C ATOM 495 CE1 PHE A 125 16.944 -5.483 -6.393 1.00 61.51 C ATOM 496 CE2 PHE A 125 18.964 -4.760 -5.341 1.00 42.12 C ATOM 497 CZ PHE A 125 17.602 -4.632 -5.528 1.00 4.12 C ATOM 0 H PHE A 125 19.325 -6.578 -9.873 1.00 3.13 H new ATOM 0 HA PHE A 125 21.492 -6.374 -7.968 1.00 1.31 H new ATOM 0 HB2 PHE A 125 19.099 -8.236 -8.248 1.00 11.24 H new ATOM 0 HB3 PHE A 125 20.247 -8.335 -6.927 1.00 11.24 H new ATOM 0 HD1 PHE A 125 17.131 -7.127 -7.742 1.00 3.20 H new ATOM 0 HD2 PHE A 125 20.731 -5.828 -5.877 1.00 31.42 H new ATOM 0 HE1 PHE A 125 15.879 -5.385 -6.542 1.00 61.51 H new ATOM 0 HE2 PHE A 125 19.481 -4.098 -4.662 1.00 42.12 H new ATOM 0 HZ PHE A 125 17.053 -3.868 -4.999 1.00 4.12 H new ATOM 507 N GLU A 126 21.773 -8.459 -10.345 1.00 35.14 N ATOM 508 CA GLU A 126 22.610 -9.510 -10.926 1.00 45.23 C ATOM 509 C GLU A 126 24.090 -9.145 -10.867 1.00 3.35 C ATOM 510 O GLU A 126 24.956 -10.019 -10.875 1.00 63.32 O ATOM 511 CB GLU A 126 22.194 -9.792 -12.375 1.00 71.24 C ATOM 512 CG GLU A 126 22.350 -8.607 -13.324 1.00 24.35 C ATOM 513 CD GLU A 126 23.717 -8.547 -13.975 1.00 11.24 C ATOM 514 OE1 GLU A 126 24.442 -7.557 -13.766 1.00 40.34 O ATOM 515 OE2 GLU A 126 24.077 -9.495 -14.704 1.00 25.34 O ATOM 0 H GLU A 126 21.169 -7.982 -11.014 1.00 35.14 H new ATOM 0 HA GLU A 126 22.462 -10.412 -10.332 1.00 45.23 H new ATOM 0 HB2 GLU A 126 22.787 -10.624 -12.754 1.00 71.24 H new ATOM 0 HB3 GLU A 126 21.152 -10.113 -12.384 1.00 71.24 H new ATOM 0 HG2 GLU A 126 21.586 -8.667 -14.100 1.00 24.35 H new ATOM 0 HG3 GLU A 126 22.174 -7.682 -12.774 1.00 24.35 H new ATOM 522 N GLN A 127 24.375 -7.850 -10.814 1.00 42.15 N ATOM 523 CA GLN A 127 25.752 -7.379 -10.775 1.00 72.24 C ATOM 524 C GLN A 127 26.373 -7.662 -9.413 1.00 70.33 C ATOM 525 O GLN A 127 27.594 -7.713 -9.273 1.00 61.14 O ATOM 526 CB GLN A 127 25.819 -5.883 -11.095 1.00 31.24 C ATOM 527 CG GLN A 127 25.351 -4.987 -9.963 1.00 24.14 C ATOM 528 CD GLN A 127 25.084 -3.573 -10.424 1.00 61.23 C ATOM 529 OE1 GLN A 127 25.978 -2.732 -10.444 1.00 70.33 O ATOM 530 NE2 GLN A 127 23.843 -3.307 -10.784 1.00 44.24 N ATOM 0 H GLN A 127 23.673 -7.110 -10.797 1.00 42.15 H new ATOM 0 HA GLN A 127 26.321 -7.917 -11.533 1.00 72.24 H new ATOM 0 HB2 GLN A 127 26.846 -5.622 -11.350 1.00 31.24 H new ATOM 0 HB3 GLN A 127 25.211 -5.683 -11.977 1.00 31.24 H new ATOM 0 HG2 GLN A 127 24.443 -5.402 -9.526 1.00 24.14 H new ATOM 0 HG3 GLN A 127 26.106 -4.974 -9.177 1.00 24.14 H new ATOM 0 HE21 GLN A 127 23.134 -4.040 -10.750 1.00 44.24 H new ATOM 0 HE22 GLN A 127 23.592 -2.369 -11.096 1.00 44.24 H new ATOM 539 N TYR A 128 25.523 -7.857 -8.415 1.00 42.44 N ATOM 540 CA TYR A 128 25.990 -8.158 -7.074 1.00 42.54 C ATOM 541 C TYR A 128 26.309 -9.641 -6.954 1.00 20.53 C ATOM 542 O TYR A 128 27.290 -10.021 -6.311 1.00 30.22 O ATOM 543 CB TYR A 128 24.953 -7.757 -6.024 1.00 3.14 C ATOM 544 CG TYR A 128 24.647 -6.276 -5.989 1.00 73.45 C ATOM 545 CD1 TYR A 128 25.283 -5.453 -5.076 1.00 30.54 C ATOM 546 CD2 TYR A 128 23.718 -5.706 -6.851 1.00 44.14 C ATOM 547 CE1 TYR A 128 25.008 -4.105 -5.017 1.00 60.01 C ATOM 548 CE2 TYR A 128 23.438 -4.351 -6.804 1.00 1.11 C ATOM 549 CZ TYR A 128 24.085 -3.555 -5.883 1.00 21.43 C ATOM 550 OH TYR A 128 23.812 -2.207 -5.825 1.00 4.44 O ATOM 0 H TYR A 128 24.508 -7.812 -8.511 1.00 42.44 H new ATOM 0 HA TYR A 128 26.896 -7.579 -6.892 1.00 42.54 H new ATOM 0 HB2 TYR A 128 24.029 -8.303 -6.215 1.00 3.14 H new ATOM 0 HB3 TYR A 128 25.309 -8.066 -5.041 1.00 3.14 H new ATOM 0 HD1 TYR A 128 26.009 -5.876 -4.397 1.00 30.54 H new ATOM 0 HD2 TYR A 128 23.206 -6.330 -7.569 1.00 44.14 H new ATOM 0 HE1 TYR A 128 25.513 -3.480 -4.295 1.00 60.01 H new ATOM 0 HE2 TYR A 128 22.718 -3.921 -7.484 1.00 1.11 H new ATOM 0 HH TYR A 128 22.979 -2.021 -6.306 1.00 4.44 H new ATOM 560 N GLY A 129 25.484 -10.474 -7.578 1.00 12.31 N ATOM 561 CA GLY A 129 25.731 -11.900 -7.552 1.00 54.53 C ATOM 562 C GLY A 129 24.654 -12.707 -8.248 1.00 75.33 C ATOM 563 O GLY A 129 23.795 -12.156 -8.943 1.00 24.34 O ATOM 0 H GLY A 129 24.654 -10.188 -8.098 1.00 12.31 H new ATOM 0 HA2 GLY A 129 26.691 -12.104 -8.025 1.00 54.53 H new ATOM 0 HA3 GLY A 129 25.810 -12.229 -6.516 1.00 54.53 H new ATOM 567 N LYS A 130 24.706 -14.019 -8.048 1.00 12.30 N ATOM 568 CA LYS A 130 23.784 -14.949 -8.672 1.00 41.31 C ATOM 569 C LYS A 130 22.402 -14.885 -8.022 1.00 53.20 C ATOM 570 O LYS A 130 22.233 -15.192 -6.838 1.00 15.21 O ATOM 571 CB LYS A 130 24.381 -16.363 -8.594 1.00 34.44 C ATOM 572 CG LYS A 130 23.377 -17.498 -8.684 1.00 71.22 C ATOM 573 CD LYS A 130 22.625 -17.503 -9.994 1.00 33.34 C ATOM 574 CE LYS A 130 21.657 -18.667 -10.053 1.00 64.10 C ATOM 575 NZ LYS A 130 20.965 -18.762 -11.366 1.00 4.01 N ATOM 0 H LYS A 130 25.395 -14.466 -7.444 1.00 12.30 H new ATOM 0 HA LYS A 130 23.646 -14.675 -9.718 1.00 41.31 H new ATOM 0 HB2 LYS A 130 25.107 -16.478 -9.399 1.00 34.44 H new ATOM 0 HB3 LYS A 130 24.928 -16.457 -7.656 1.00 34.44 H new ATOM 0 HG2 LYS A 130 23.896 -18.449 -8.563 1.00 71.22 H new ATOM 0 HG3 LYS A 130 22.667 -17.416 -7.861 1.00 71.22 H new ATOM 0 HD2 LYS A 130 22.081 -16.565 -10.110 1.00 33.34 H new ATOM 0 HD3 LYS A 130 23.330 -17.568 -10.823 1.00 33.34 H new ATOM 0 HE2 LYS A 130 22.196 -19.595 -9.861 1.00 64.10 H new ATOM 0 HE3 LYS A 130 20.915 -18.560 -9.261 1.00 64.10 H new ATOM 0 HZ1 LYS A 130 20.314 -19.573 -11.357 1.00 4.01 H new ATOM 0 HZ2 LYS A 130 20.428 -17.889 -11.539 1.00 4.01 H new ATOM 0 HZ3 LYS A 130 21.669 -18.891 -12.121 1.00 4.01 H new ATOM 589 N ILE A 131 21.423 -14.478 -8.813 1.00 61.01 N ATOM 590 CA ILE A 131 20.051 -14.388 -8.353 1.00 74.33 C ATOM 591 C ILE A 131 19.302 -15.678 -8.652 1.00 1.12 C ATOM 592 O ILE A 131 19.486 -16.285 -9.706 1.00 60.11 O ATOM 593 CB ILE A 131 19.305 -13.224 -9.036 1.00 62.02 C ATOM 594 CG1 ILE A 131 20.123 -11.938 -8.948 1.00 45.43 C ATOM 595 CG2 ILE A 131 17.936 -13.032 -8.404 1.00 13.32 C ATOM 596 CD1 ILE A 131 19.464 -10.763 -9.630 1.00 53.44 C ATOM 0 H ILE A 131 21.557 -14.203 -9.786 1.00 61.01 H new ATOM 0 HA ILE A 131 20.084 -14.214 -7.278 1.00 74.33 H new ATOM 0 HB ILE A 131 19.168 -13.470 -10.089 1.00 62.02 H new ATOM 0 HG12 ILE A 131 20.291 -11.693 -7.899 1.00 45.43 H new ATOM 0 HG13 ILE A 131 21.102 -12.107 -9.396 1.00 45.43 H new ATOM 0 HG21 ILE A 131 17.421 -12.207 -8.896 1.00 13.32 H new ATOM 0 HG22 ILE A 131 17.351 -13.945 -8.518 1.00 13.32 H new ATOM 0 HG23 ILE A 131 18.053 -12.806 -7.344 1.00 13.32 H new ATOM 0 HD11 ILE A 131 20.098 -9.882 -9.530 1.00 53.44 H new ATOM 0 HD12 ILE A 131 19.321 -10.989 -10.687 1.00 53.44 H new ATOM 0 HD13 ILE A 131 18.497 -10.569 -9.166 1.00 53.44 H new ATOM 608 N GLU A 132 18.468 -16.094 -7.719 1.00 60.42 N ATOM 609 CA GLU A 132 17.623 -17.257 -7.912 1.00 41.54 C ATOM 610 C GLU A 132 16.318 -16.859 -8.597 1.00 14.05 C ATOM 611 O GLU A 132 16.128 -17.130 -9.781 1.00 0.03 O ATOM 612 CB GLU A 132 17.357 -17.930 -6.567 1.00 43.31 C ATOM 613 CG GLU A 132 18.529 -18.757 -6.076 1.00 54.10 C ATOM 614 CD GLU A 132 18.658 -20.074 -6.807 1.00 64.33 C ATOM 615 OE1 GLU A 132 18.102 -21.083 -6.323 1.00 10.55 O ATOM 616 OE2 GLU A 132 19.307 -20.110 -7.872 1.00 70.31 O ATOM 0 H GLU A 132 18.357 -15.640 -6.812 1.00 60.42 H new ATOM 0 HA GLU A 132 18.134 -17.969 -8.559 1.00 41.54 H new ATOM 0 HB2 GLU A 132 17.122 -17.167 -5.825 1.00 43.31 H new ATOM 0 HB3 GLU A 132 16.479 -18.570 -6.655 1.00 43.31 H new ATOM 0 HG2 GLU A 132 19.449 -18.186 -6.199 1.00 54.10 H new ATOM 0 HG3 GLU A 132 18.413 -18.948 -5.009 1.00 54.10 H new ATOM 623 N VAL A 133 15.440 -16.184 -7.862 1.00 73.44 N ATOM 624 CA VAL A 133 14.145 -15.771 -8.400 1.00 12.43 C ATOM 625 C VAL A 133 13.729 -14.404 -7.859 1.00 22.22 C ATOM 626 O VAL A 133 13.948 -14.095 -6.684 1.00 71.02 O ATOM 627 CB VAL A 133 13.025 -16.795 -8.077 1.00 21.14 C ATOM 628 CG1 VAL A 133 13.219 -18.086 -8.858 1.00 3.22 C ATOM 629 CG2 VAL A 133 12.964 -17.085 -6.582 1.00 62.32 C ATOM 0 H VAL A 133 15.600 -15.911 -6.892 1.00 73.44 H new ATOM 0 HA VAL A 133 14.271 -15.715 -9.481 1.00 12.43 H new ATOM 0 HB VAL A 133 12.077 -16.351 -8.381 1.00 21.14 H new ATOM 0 HG11 VAL A 133 12.419 -18.784 -8.611 1.00 3.22 H new ATOM 0 HG12 VAL A 133 13.197 -17.872 -9.926 1.00 3.22 H new ATOM 0 HG13 VAL A 133 14.180 -18.528 -8.597 1.00 3.22 H new ATOM 0 HG21 VAL A 133 12.171 -17.806 -6.383 1.00 62.32 H new ATOM 0 HG22 VAL A 133 13.918 -17.496 -6.252 1.00 62.32 H new ATOM 0 HG23 VAL A 133 12.759 -16.162 -6.040 1.00 62.32 H new ATOM 639 N ILE A 134 13.145 -13.585 -8.721 1.00 13.22 N ATOM 640 CA ILE A 134 12.588 -12.307 -8.299 1.00 63.45 C ATOM 641 C ILE A 134 11.106 -12.465 -8.020 1.00 60.15 C ATOM 642 O ILE A 134 10.291 -12.511 -8.944 1.00 61.32 O ATOM 643 CB ILE A 134 12.767 -11.198 -9.353 1.00 54.11 C ATOM 644 CG1 ILE A 134 14.195 -11.183 -9.905 1.00 21.05 C ATOM 645 CG2 ILE A 134 12.419 -9.842 -8.751 1.00 4.25 C ATOM 646 CD1 ILE A 134 15.245 -10.892 -8.871 1.00 53.13 C ATOM 0 H ILE A 134 13.044 -13.782 -9.717 1.00 13.22 H new ATOM 0 HA ILE A 134 13.132 -12.010 -7.402 1.00 63.45 H new ATOM 0 HB ILE A 134 12.089 -11.405 -10.181 1.00 54.11 H new ATOM 0 HG12 ILE A 134 14.407 -12.149 -10.362 1.00 21.05 H new ATOM 0 HG13 ILE A 134 14.261 -10.435 -10.695 1.00 21.05 H new ATOM 0 HG21 ILE A 134 12.549 -9.065 -9.505 1.00 4.25 H new ATOM 0 HG22 ILE A 134 11.383 -9.849 -8.412 1.00 4.25 H new ATOM 0 HG23 ILE A 134 13.076 -9.640 -7.905 1.00 4.25 H new ATOM 0 HD11 ILE A 134 16.229 -10.899 -9.340 1.00 53.13 H new ATOM 0 HD12 ILE A 134 15.060 -9.912 -8.430 1.00 53.13 H new ATOM 0 HD13 ILE A 134 15.209 -11.653 -8.092 1.00 53.13 H new ATOM 658 N GLU A 135 10.756 -12.557 -6.753 1.00 20.33 N ATOM 659 CA GLU A 135 9.374 -12.742 -6.369 1.00 60.52 C ATOM 660 C GLU A 135 8.671 -11.400 -6.305 1.00 31.02 C ATOM 661 O GLU A 135 8.760 -10.687 -5.304 1.00 35.12 O ATOM 662 CB GLU A 135 9.272 -13.446 -5.017 1.00 4.00 C ATOM 663 CG GLU A 135 9.974 -14.791 -4.971 1.00 32.30 C ATOM 664 CD GLU A 135 9.837 -15.462 -3.623 1.00 34.01 C ATOM 665 OE1 GLU A 135 9.943 -14.764 -2.599 1.00 43.33 O ATOM 666 OE2 GLU A 135 9.637 -16.694 -3.581 1.00 51.43 O ATOM 0 H GLU A 135 11.411 -12.506 -5.973 1.00 20.33 H new ATOM 0 HA GLU A 135 8.892 -13.368 -7.120 1.00 60.52 H new ATOM 0 HB2 GLU A 135 9.696 -12.799 -4.249 1.00 4.00 H new ATOM 0 HB3 GLU A 135 8.220 -13.587 -4.770 1.00 4.00 H new ATOM 0 HG2 GLU A 135 9.560 -15.441 -5.742 1.00 32.30 H new ATOM 0 HG3 GLU A 135 11.031 -14.655 -5.201 1.00 32.30 H new ATOM 673 N ILE A 136 8.016 -11.035 -7.393 1.00 24.03 N ATOM 674 CA ILE A 136 7.219 -9.826 -7.414 1.00 12.01 C ATOM 675 C ILE A 136 5.965 -10.077 -6.599 1.00 63.15 C ATOM 676 O ILE A 136 5.042 -10.741 -7.075 1.00 1.11 O ATOM 677 CB ILE A 136 6.810 -9.420 -8.846 1.00 15.43 C ATOM 678 CG1 ILE A 136 7.957 -9.655 -9.831 1.00 62.03 C ATOM 679 CG2 ILE A 136 6.390 -7.956 -8.874 1.00 11.24 C ATOM 680 CD1 ILE A 136 7.541 -9.494 -11.275 1.00 2.22 C ATOM 0 H ILE A 136 8.021 -11.557 -8.269 1.00 24.03 H new ATOM 0 HA ILE A 136 7.816 -9.013 -7.000 1.00 12.01 H new ATOM 0 HB ILE A 136 5.967 -10.041 -9.149 1.00 15.43 H new ATOM 0 HG12 ILE A 136 8.765 -8.957 -9.612 1.00 62.03 H new ATOM 0 HG13 ILE A 136 8.355 -10.659 -9.683 1.00 62.03 H new ATOM 0 HG21 ILE A 136 6.103 -7.679 -9.889 1.00 11.24 H new ATOM 0 HG22 ILE A 136 5.543 -7.808 -8.204 1.00 11.24 H new ATOM 0 HG23 ILE A 136 7.223 -7.332 -8.549 1.00 11.24 H new ATOM 0 HD11 ILE A 136 8.399 -9.673 -11.923 1.00 2.22 H new ATOM 0 HD12 ILE A 136 6.753 -10.210 -11.509 1.00 2.22 H new ATOM 0 HD13 ILE A 136 7.170 -8.482 -11.436 1.00 2.22 H new ATOM 692 N MET A 137 5.948 -9.590 -5.364 1.00 32.52 N ATOM 693 CA MET A 137 4.855 -9.896 -4.457 1.00 61.35 C ATOM 694 C MET A 137 3.542 -9.379 -5.014 1.00 12.22 C ATOM 695 O MET A 137 3.304 -8.170 -5.081 1.00 64.00 O ATOM 696 CB MET A 137 5.107 -9.332 -3.060 1.00 73.14 C ATOM 697 CG MET A 137 4.124 -9.859 -2.029 1.00 13.14 C ATOM 698 SD MET A 137 4.017 -11.662 -2.055 1.00 42.11 S ATOM 699 CE MET A 137 2.773 -11.957 -0.804 1.00 64.04 C ATOM 0 H MET A 137 6.672 -8.988 -4.973 1.00 32.52 H new ATOM 0 HA MET A 137 4.794 -10.981 -4.366 1.00 61.35 H new ATOM 0 HB2 MET A 137 6.122 -9.582 -2.749 1.00 73.14 H new ATOM 0 HB3 MET A 137 5.043 -8.244 -3.095 1.00 73.14 H new ATOM 0 HG2 MET A 137 4.428 -9.528 -1.036 1.00 13.14 H new ATOM 0 HG3 MET A 137 3.138 -9.435 -2.218 1.00 13.14 H new ATOM 0 HE1 MET A 137 2.601 -13.029 -0.708 1.00 64.04 H new ATOM 0 HE2 MET A 137 3.115 -11.558 0.151 1.00 64.04 H new ATOM 0 HE3 MET A 137 1.844 -11.464 -1.091 1.00 64.04 H new ATOM 859 N PHE A 148 5.620 -4.067 -3.504 1.00 42.50 N ATOM 860 CA PHE A 148 6.979 -4.433 -3.134 1.00 13.53 C ATOM 861 C PHE A 148 7.309 -5.826 -3.647 1.00 61.22 C ATOM 862 O PHE A 148 6.412 -6.582 -4.022 1.00 11.14 O ATOM 863 CB PHE A 148 7.190 -4.342 -1.616 1.00 31.24 C ATOM 864 CG PHE A 148 6.169 -5.077 -0.792 1.00 43.43 C ATOM 865 CD1 PHE A 148 6.304 -6.431 -0.535 1.00 33.34 C ATOM 866 CD2 PHE A 148 5.080 -4.405 -0.260 1.00 31.21 C ATOM 867 CE1 PHE A 148 5.372 -7.100 0.234 1.00 64.44 C ATOM 868 CE2 PHE A 148 4.146 -5.071 0.507 1.00 43.32 C ATOM 869 CZ PHE A 148 4.293 -6.419 0.754 1.00 22.02 C ATOM 0 HA PHE A 148 7.660 -3.722 -3.601 1.00 13.53 H new ATOM 0 HB2 PHE A 148 8.179 -4.733 -1.377 1.00 31.24 H new ATOM 0 HB3 PHE A 148 7.183 -3.292 -1.325 1.00 31.24 H new ATOM 0 HD1 PHE A 148 7.148 -6.970 -0.940 1.00 33.34 H new ATOM 0 HD2 PHE A 148 4.961 -3.348 -0.448 1.00 31.21 H new ATOM 0 HE1 PHE A 148 5.489 -8.156 0.428 1.00 64.44 H new ATOM 0 HE2 PHE A 148 3.300 -4.536 0.914 1.00 43.32 H new ATOM 0 HZ PHE A 148 3.563 -6.941 1.355 1.00 22.02 H new ATOM 879 N ALA A 149 8.591 -6.158 -3.673 1.00 14.24 N ATOM 880 CA ALA A 149 9.029 -7.438 -4.201 1.00 10.21 C ATOM 881 C ALA A 149 10.202 -7.983 -3.402 1.00 53.11 C ATOM 882 O ALA A 149 10.841 -7.257 -2.639 1.00 40.22 O ATOM 883 CB ALA A 149 9.406 -7.302 -5.668 1.00 35.03 C ATOM 0 H ALA A 149 9.344 -5.559 -3.335 1.00 14.24 H new ATOM 0 HA ALA A 149 8.202 -8.143 -4.114 1.00 10.21 H new ATOM 0 HB1 ALA A 149 9.732 -8.269 -6.051 1.00 35.03 H new ATOM 0 HB2 ALA A 149 8.541 -6.960 -6.236 1.00 35.03 H new ATOM 0 HB3 ALA A 149 10.216 -6.579 -5.770 1.00 35.03 H new ATOM 889 N PHE A 150 10.483 -9.261 -3.593 1.00 13.13 N ATOM 890 CA PHE A 150 11.542 -9.929 -2.858 1.00 31.45 C ATOM 891 C PHE A 150 12.503 -10.599 -3.825 1.00 5.22 C ATOM 892 O PHE A 150 12.099 -11.412 -4.656 1.00 60.23 O ATOM 893 CB PHE A 150 10.955 -10.968 -1.900 1.00 24.52 C ATOM 894 CG PHE A 150 9.934 -10.409 -0.955 1.00 34.14 C ATOM 895 CD1 PHE A 150 8.595 -10.382 -1.306 1.00 12.03 C ATOM 896 CD2 PHE A 150 10.312 -9.904 0.279 1.00 35.53 C ATOM 897 CE1 PHE A 150 7.652 -9.861 -0.446 1.00 30.32 C ATOM 898 CE2 PHE A 150 9.370 -9.383 1.144 1.00 15.13 C ATOM 899 CZ PHE A 150 8.039 -9.360 0.779 1.00 30.40 C ATOM 0 H PHE A 150 9.989 -9.859 -4.255 1.00 13.13 H new ATOM 0 HA PHE A 150 12.084 -9.184 -2.275 1.00 31.45 H new ATOM 0 HB2 PHE A 150 10.498 -11.768 -2.482 1.00 24.52 H new ATOM 0 HB3 PHE A 150 11.764 -11.415 -1.323 1.00 24.52 H new ATOM 0 HD1 PHE A 150 8.286 -10.773 -2.264 1.00 12.03 H new ATOM 0 HD2 PHE A 150 11.353 -9.918 0.567 1.00 35.53 H new ATOM 0 HE1 PHE A 150 6.611 -9.845 -0.732 1.00 30.32 H new ATOM 0 HE2 PHE A 150 9.674 -8.994 2.105 1.00 15.13 H new ATOM 0 HZ PHE A 150 7.301 -8.950 1.453 1.00 30.40 H new ATOM 909 N VAL A 151 13.772 -10.253 -3.725 1.00 61.43 N ATOM 910 CA VAL A 151 14.778 -10.811 -4.608 1.00 51.05 C ATOM 911 C VAL A 151 15.509 -11.951 -3.911 1.00 74.42 C ATOM 912 O VAL A 151 16.282 -11.726 -2.979 1.00 0.21 O ATOM 913 CB VAL A 151 15.791 -9.739 -5.058 1.00 54.44 C ATOM 914 CG1 VAL A 151 16.806 -10.317 -6.034 1.00 14.15 C ATOM 915 CG2 VAL A 151 15.067 -8.557 -5.681 1.00 22.31 C ATOM 0 H VAL A 151 14.131 -9.588 -3.040 1.00 61.43 H new ATOM 0 HA VAL A 151 14.271 -11.191 -5.495 1.00 51.05 H new ATOM 0 HB VAL A 151 16.332 -9.394 -4.177 1.00 54.44 H new ATOM 0 HG11 VAL A 151 17.507 -9.538 -6.334 1.00 14.15 H new ATOM 0 HG12 VAL A 151 17.350 -11.130 -5.554 1.00 14.15 H new ATOM 0 HG13 VAL A 151 16.288 -10.697 -6.915 1.00 14.15 H new ATOM 0 HG21 VAL A 151 15.795 -7.808 -5.994 1.00 22.31 H new ATOM 0 HG22 VAL A 151 14.498 -8.894 -6.547 1.00 22.31 H new ATOM 0 HG23 VAL A 151 14.388 -8.119 -4.949 1.00 22.31 H new ATOM 925 N THR A 152 15.227 -13.171 -4.338 1.00 34.33 N ATOM 926 CA THR A 152 15.888 -14.340 -3.787 1.00 2.34 C ATOM 927 C THR A 152 17.191 -14.605 -4.530 1.00 20.05 C ATOM 928 O THR A 152 17.200 -14.739 -5.751 1.00 32.43 O ATOM 929 CB THR A 152 14.990 -15.590 -3.881 1.00 31.52 C ATOM 930 OG1 THR A 152 13.698 -15.312 -3.330 1.00 21.13 O ATOM 931 CG2 THR A 152 15.618 -16.765 -3.145 1.00 5.23 C ATOM 0 H THR A 152 14.543 -13.377 -5.066 1.00 34.33 H new ATOM 0 HA THR A 152 16.094 -14.137 -2.736 1.00 2.34 H new ATOM 0 HB THR A 152 14.885 -15.854 -4.933 1.00 31.52 H new ATOM 0 HG1 THR A 152 13.450 -16.023 -2.703 1.00 21.13 H new ATOM 0 HG21 THR A 152 14.966 -17.635 -3.225 1.00 5.23 H new ATOM 0 HG22 THR A 152 16.587 -16.995 -3.587 1.00 5.23 H new ATOM 0 HG23 THR A 152 15.751 -16.507 -2.094 1.00 5.23 H new ATOM 939 N PHE A 153 18.283 -14.670 -3.795 1.00 53.41 N ATOM 940 CA PHE A 153 19.584 -14.945 -4.378 1.00 20.41 C ATOM 941 C PHE A 153 19.997 -16.371 -4.070 1.00 54.31 C ATOM 942 O PHE A 153 19.505 -16.979 -3.117 1.00 63.54 O ATOM 943 CB PHE A 153 20.640 -13.977 -3.842 1.00 52.43 C ATOM 944 CG PHE A 153 20.394 -12.546 -4.210 1.00 52.31 C ATOM 945 CD1 PHE A 153 20.903 -12.020 -5.385 1.00 52.33 C ATOM 946 CD2 PHE A 153 19.659 -11.724 -3.376 1.00 54.13 C ATOM 947 CE1 PHE A 153 20.680 -10.701 -5.720 1.00 12.24 C ATOM 948 CE2 PHE A 153 19.435 -10.407 -3.705 1.00 62.12 C ATOM 949 CZ PHE A 153 19.944 -9.894 -4.877 1.00 65.42 C ATOM 0 H PHE A 153 18.296 -14.535 -2.784 1.00 53.41 H new ATOM 0 HA PHE A 153 19.509 -14.811 -5.457 1.00 20.41 H new ATOM 0 HB2 PHE A 153 20.678 -14.061 -2.756 1.00 52.43 H new ATOM 0 HB3 PHE A 153 21.618 -14.276 -4.219 1.00 52.43 H new ATOM 0 HD1 PHE A 153 21.481 -12.649 -6.046 1.00 52.33 H new ATOM 0 HD2 PHE A 153 19.256 -12.120 -2.456 1.00 54.13 H new ATOM 0 HE1 PHE A 153 21.080 -10.301 -6.640 1.00 12.24 H new ATOM 0 HE2 PHE A 153 18.860 -9.776 -3.044 1.00 62.12 H new ATOM 0 HZ PHE A 153 19.767 -8.861 -5.136 1.00 65.42 H new ATOM 959 N ASP A 154 20.894 -16.904 -4.883 1.00 3.55 N ATOM 960 CA ASP A 154 21.414 -18.247 -4.670 1.00 23.44 C ATOM 961 C ASP A 154 22.298 -18.287 -3.436 1.00 53.35 C ATOM 962 O ASP A 154 22.363 -19.295 -2.733 1.00 65.14 O ATOM 963 CB ASP A 154 22.202 -18.715 -5.898 1.00 35.43 C ATOM 964 CG ASP A 154 22.957 -20.008 -5.648 1.00 12.42 C ATOM 965 OD1 ASP A 154 24.185 -19.954 -5.432 1.00 13.15 O ATOM 966 OD2 ASP A 154 22.327 -21.084 -5.672 1.00 54.03 O ATOM 0 H ASP A 154 21.279 -16.427 -5.698 1.00 3.55 H new ATOM 0 HA ASP A 154 20.571 -18.921 -4.516 1.00 23.44 H new ATOM 0 HB2 ASP A 154 21.516 -18.855 -6.734 1.00 35.43 H new ATOM 0 HB3 ASP A 154 22.907 -17.937 -6.191 1.00 35.43 H new ATOM 971 N ASP A 155 22.933 -17.164 -3.153 1.00 13.52 N ATOM 972 CA ASP A 155 23.922 -17.096 -2.084 1.00 74.02 C ATOM 973 C ASP A 155 23.678 -15.888 -1.195 1.00 14.23 C ATOM 974 O ASP A 155 23.228 -14.843 -1.664 1.00 44.42 O ATOM 975 CB ASP A 155 25.330 -17.008 -2.670 1.00 1.21 C ATOM 976 CG ASP A 155 26.378 -17.547 -1.725 1.00 5.41 C ATOM 977 OD1 ASP A 155 26.900 -18.654 -1.977 1.00 13.52 O ATOM 978 OD2 ASP A 155 26.678 -16.879 -0.717 1.00 12.44 O ATOM 0 H ASP A 155 22.784 -16.284 -3.647 1.00 13.52 H new ATOM 0 HA ASP A 155 23.829 -18.002 -1.486 1.00 74.02 H new ATOM 0 HB2 ASP A 155 25.367 -17.565 -3.606 1.00 1.21 H new ATOM 0 HB3 ASP A 155 25.558 -15.969 -2.908 1.00 1.21 H new ATOM 983 N HIS A 156 23.992 -16.031 0.086 1.00 60.11 N ATOM 984 CA HIS A 156 23.866 -14.930 1.032 1.00 51.51 C ATOM 985 C HIS A 156 25.001 -13.922 0.844 1.00 1.40 C ATOM 986 O HIS A 156 24.962 -12.819 1.382 1.00 35.44 O ATOM 987 CB HIS A 156 23.836 -15.444 2.480 1.00 74.04 C ATOM 988 CG HIS A 156 25.018 -16.282 2.878 1.00 22.14 C ATOM 989 ND1 HIS A 156 24.858 -17.537 3.413 1.00 42.45 N ATOM 990 CD2 HIS A 156 26.340 -15.989 2.834 1.00 44.21 C ATOM 991 CE1 HIS A 156 26.078 -17.973 3.683 1.00 20.03 C ATOM 992 NE2 HIS A 156 27.008 -17.066 3.349 1.00 72.44 N ATOM 0 H HIS A 156 24.336 -16.900 0.494 1.00 60.11 H new ATOM 0 HA HIS A 156 22.920 -14.426 0.833 1.00 51.51 H new ATOM 0 HB2 HIS A 156 23.772 -14.589 3.153 1.00 74.04 H new ATOM 0 HB3 HIS A 156 22.928 -16.030 2.623 1.00 74.04 H new ATOM 0 HD2 HIS A 156 26.783 -15.077 2.462 1.00 44.21 H new ATOM 0 HE1 HIS A 156 26.297 -18.937 4.117 1.00 20.03 H new ATOM 0 HE2 HIS A 156 28.018 -17.161 3.458 1.00 72.44 H new ATOM 1000 N ASP A 157 26.015 -14.315 0.088 1.00 70.43 N ATOM 1001 CA ASP A 157 27.097 -13.407 -0.269 1.00 73.12 C ATOM 1002 C ASP A 157 26.552 -12.227 -1.056 1.00 24.41 C ATOM 1003 O ASP A 157 26.810 -11.068 -0.728 1.00 33.21 O ATOM 1004 CB ASP A 157 28.159 -14.134 -1.101 1.00 23.44 C ATOM 1005 CG ASP A 157 29.036 -13.179 -1.891 1.00 54.00 C ATOM 1006 OD1 ASP A 157 28.802 -13.020 -3.110 1.00 25.00 O ATOM 1007 OD2 ASP A 157 29.948 -12.569 -1.296 1.00 54.54 O ATOM 0 H ASP A 157 26.112 -15.257 -0.291 1.00 70.43 H new ATOM 0 HA ASP A 157 27.557 -13.045 0.650 1.00 73.12 H new ATOM 0 HB2 ASP A 157 28.785 -14.734 -0.440 1.00 23.44 H new ATOM 0 HB3 ASP A 157 27.668 -14.823 -1.788 1.00 23.44 H new ATOM 1012 N SER A 158 25.765 -12.539 -2.075 1.00 45.30 N ATOM 1013 CA SER A 158 25.273 -11.540 -3.011 1.00 11.31 C ATOM 1014 C SER A 158 24.308 -10.552 -2.354 1.00 71.21 C ATOM 1015 O SER A 158 24.138 -9.433 -2.834 1.00 15.52 O ATOM 1016 CB SER A 158 24.596 -12.250 -4.177 1.00 31.34 C ATOM 1017 OG SER A 158 25.450 -13.254 -4.702 1.00 23.02 O ATOM 0 H SER A 158 25.451 -13.488 -2.276 1.00 45.30 H new ATOM 0 HA SER A 158 26.122 -10.956 -3.366 1.00 11.31 H new ATOM 0 HB2 SER A 158 23.659 -12.697 -3.845 1.00 31.34 H new ATOM 0 HB3 SER A 158 24.348 -11.529 -4.956 1.00 31.34 H new ATOM 0 HG SER A 158 24.951 -13.808 -5.338 1.00 23.02 H new ATOM 1023 N VAL A 159 23.703 -10.952 -1.244 1.00 32.02 N ATOM 1024 CA VAL A 159 22.704 -10.114 -0.591 1.00 54.42 C ATOM 1025 C VAL A 159 23.357 -9.041 0.279 1.00 32.43 C ATOM 1026 O VAL A 159 22.780 -7.977 0.503 1.00 71.44 O ATOM 1027 CB VAL A 159 21.735 -10.945 0.284 1.00 13.34 C ATOM 1028 CG1 VAL A 159 21.224 -12.159 -0.471 1.00 31.34 C ATOM 1029 CG2 VAL A 159 22.390 -11.357 1.589 1.00 14.54 C ATOM 0 H VAL A 159 23.883 -11.842 -0.780 1.00 32.02 H new ATOM 0 HA VAL A 159 22.138 -9.637 -1.391 1.00 54.42 H new ATOM 0 HB VAL A 159 20.881 -10.312 0.524 1.00 13.34 H new ATOM 0 HG11 VAL A 159 20.545 -12.725 0.167 1.00 31.34 H new ATOM 0 HG12 VAL A 159 20.694 -11.834 -1.366 1.00 31.34 H new ATOM 0 HG13 VAL A 159 22.065 -12.791 -0.756 1.00 31.34 H new ATOM 0 HG21 VAL A 159 21.685 -11.939 2.182 1.00 14.54 H new ATOM 0 HG22 VAL A 159 23.273 -11.961 1.378 1.00 14.54 H new ATOM 0 HG23 VAL A 159 22.684 -10.467 2.145 1.00 14.54 H new ATOM 1039 N ASP A 160 24.573 -9.308 0.750 1.00 35.14 N ATOM 1040 CA ASP A 160 25.204 -8.438 1.734 1.00 62.21 C ATOM 1041 C ASP A 160 25.599 -7.102 1.120 1.00 25.05 C ATOM 1042 O ASP A 160 25.407 -6.057 1.732 1.00 43.42 O ATOM 1043 CB ASP A 160 26.417 -9.114 2.367 1.00 11.24 C ATOM 1044 CG ASP A 160 27.033 -8.269 3.465 1.00 33.51 C ATOM 1045 OD1 ASP A 160 26.392 -8.098 4.524 1.00 75.13 O ATOM 1046 OD2 ASP A 160 28.169 -7.788 3.276 1.00 24.25 O ATOM 0 H ASP A 160 25.135 -10.112 0.469 1.00 35.14 H new ATOM 0 HA ASP A 160 24.471 -8.246 2.517 1.00 62.21 H new ATOM 0 HB2 ASP A 160 26.121 -10.080 2.777 1.00 11.24 H new ATOM 0 HB3 ASP A 160 27.165 -9.310 1.598 1.00 11.24 H new ATOM 1051 N LYS A 161 26.105 -7.137 -0.112 1.00 43.42 N ATOM 1052 CA LYS A 161 26.487 -5.914 -0.829 1.00 4.02 C ATOM 1053 C LYS A 161 25.272 -5.020 -1.049 1.00 14.44 C ATOM 1054 O LYS A 161 25.395 -3.846 -1.402 1.00 0.01 O ATOM 1055 CB LYS A 161 27.090 -6.239 -2.198 1.00 53.44 C ATOM 1056 CG LYS A 161 28.151 -7.328 -2.199 1.00 43.11 C ATOM 1057 CD LYS A 161 27.579 -8.682 -2.588 1.00 71.24 C ATOM 1058 CE LYS A 161 28.675 -9.725 -2.768 1.00 44.23 C ATOM 1059 NZ LYS A 161 29.455 -9.951 -1.519 1.00 40.44 N ATOM 0 H LYS A 161 26.261 -7.997 -0.637 1.00 43.42 H new ATOM 0 HA LYS A 161 27.227 -5.402 -0.215 1.00 4.02 H new ATOM 0 HB2 LYS A 161 26.285 -6.538 -2.869 1.00 53.44 H new ATOM 0 HB3 LYS A 161 27.527 -5.329 -2.610 1.00 53.44 H new ATOM 0 HG2 LYS A 161 28.947 -7.058 -2.893 1.00 43.11 H new ATOM 0 HG3 LYS A 161 28.601 -7.396 -1.209 1.00 43.11 H new ATOM 0 HD2 LYS A 161 26.881 -9.016 -1.821 1.00 71.24 H new ATOM 0 HD3 LYS A 161 27.013 -8.585 -3.514 1.00 71.24 H new ATOM 0 HE2 LYS A 161 28.228 -10.666 -3.089 1.00 44.23 H new ATOM 0 HE3 LYS A 161 29.350 -9.405 -3.562 1.00 44.23 H new ATOM 0 HZ1 LYS A 161 29.980 -10.845 -1.595 1.00 40.44 H new ATOM 0 HZ2 LYS A 161 30.124 -9.167 -1.381 1.00 40.44 H new ATOM 0 HZ3 LYS A 161 28.806 -9.999 -0.708 1.00 40.44 H new ATOM 1073 N ILE A 162 24.104 -5.595 -0.855 1.00 42.24 N ATOM 1074 CA ILE A 162 22.857 -4.905 -1.085 1.00 61.23 C ATOM 1075 C ILE A 162 22.285 -4.368 0.220 1.00 31.45 C ATOM 1076 O ILE A 162 21.935 -3.194 0.319 1.00 24.14 O ATOM 1077 CB ILE A 162 21.852 -5.861 -1.749 1.00 14.44 C ATOM 1078 CG1 ILE A 162 22.403 -6.320 -3.097 1.00 0.04 C ATOM 1079 CG2 ILE A 162 20.493 -5.203 -1.915 1.00 70.34 C ATOM 1080 CD1 ILE A 162 21.581 -7.399 -3.750 1.00 55.24 C ATOM 0 H ILE A 162 23.995 -6.556 -0.533 1.00 42.24 H new ATOM 0 HA ILE A 162 23.044 -4.059 -1.747 1.00 61.23 H new ATOM 0 HB ILE A 162 21.714 -6.729 -1.104 1.00 14.44 H new ATOM 0 HG12 ILE A 162 22.460 -5.463 -3.768 1.00 0.04 H new ATOM 0 HG13 ILE A 162 23.421 -6.684 -2.959 1.00 0.04 H new ATOM 0 HG21 ILE A 162 19.805 -5.904 -2.387 1.00 70.34 H new ATOM 0 HG22 ILE A 162 20.105 -4.917 -0.937 1.00 70.34 H new ATOM 0 HG23 ILE A 162 20.592 -4.315 -2.540 1.00 70.34 H new ATOM 0 HD11 ILE A 162 22.033 -7.674 -4.703 1.00 55.24 H new ATOM 0 HD12 ILE A 162 21.545 -8.273 -3.100 1.00 55.24 H new ATOM 0 HD13 ILE A 162 20.569 -7.032 -3.921 1.00 55.24 H new ATOM 1092 N VAL A 163 22.224 -5.227 1.227 1.00 75.41 N ATOM 1093 CA VAL A 163 21.606 -4.875 2.498 1.00 30.41 C ATOM 1094 C VAL A 163 22.471 -3.905 3.310 1.00 61.43 C ATOM 1095 O VAL A 163 21.987 -3.290 4.261 1.00 14.54 O ATOM 1096 CB VAL A 163 21.299 -6.134 3.341 1.00 51.12 C ATOM 1097 CG1 VAL A 163 20.393 -7.088 2.570 1.00 62.31 C ATOM 1098 CG2 VAL A 163 22.585 -6.834 3.763 1.00 62.21 C ATOM 0 H VAL A 163 22.596 -6.176 1.189 1.00 75.41 H new ATOM 0 HA VAL A 163 20.669 -4.373 2.258 1.00 30.41 H new ATOM 0 HB VAL A 163 20.776 -5.818 4.244 1.00 51.12 H new ATOM 0 HG11 VAL A 163 20.188 -7.968 3.180 1.00 62.31 H new ATOM 0 HG12 VAL A 163 19.455 -6.586 2.331 1.00 62.31 H new ATOM 0 HG13 VAL A 163 20.887 -7.393 1.647 1.00 62.31 H new ATOM 0 HG21 VAL A 163 22.342 -7.716 4.355 1.00 62.21 H new ATOM 0 HG22 VAL A 163 23.144 -7.134 2.876 1.00 62.21 H new ATOM 0 HG23 VAL A 163 23.191 -6.153 4.360 1.00 62.21 H new ATOM 1108 N ILE A 164 23.748 -3.770 2.941 1.00 41.32 N ATOM 1109 CA ILE A 164 24.649 -2.839 3.626 1.00 51.24 C ATOM 1110 C ILE A 164 24.208 -1.393 3.439 1.00 72.33 C ATOM 1111 O ILE A 164 24.506 -0.532 4.269 1.00 41.35 O ATOM 1112 CB ILE A 164 26.121 -2.997 3.179 1.00 40.14 C ATOM 1113 CG1 ILE A 164 26.239 -3.061 1.652 1.00 50.43 C ATOM 1114 CG2 ILE A 164 26.743 -4.227 3.819 1.00 64.01 C ATOM 1115 CD1 ILE A 164 26.466 -1.722 0.987 1.00 0.40 C ATOM 0 H ILE A 164 24.179 -4.290 2.177 1.00 41.32 H new ATOM 0 HA ILE A 164 24.592 -3.094 4.684 1.00 51.24 H new ATOM 0 HB ILE A 164 26.668 -2.116 3.515 1.00 40.14 H new ATOM 0 HG12 ILE A 164 27.061 -3.727 1.391 1.00 50.43 H new ATOM 0 HG13 ILE A 164 25.329 -3.504 1.248 1.00 50.43 H new ATOM 0 HG21 ILE A 164 27.779 -4.322 3.493 1.00 64.01 H new ATOM 0 HG22 ILE A 164 26.712 -4.128 4.904 1.00 64.01 H new ATOM 0 HG23 ILE A 164 26.185 -5.114 3.520 1.00 64.01 H new ATOM 0 HD11 ILE A 164 26.538 -1.859 -0.092 1.00 0.40 H new ATOM 0 HD12 ILE A 164 25.633 -1.057 1.214 1.00 0.40 H new ATOM 0 HD13 ILE A 164 27.392 -1.283 1.359 1.00 0.40 H new ATOM 1127 N GLN A 165 23.517 -1.124 2.343 1.00 21.52 N ATOM 1128 CA GLN A 165 22.888 0.174 2.150 1.00 32.44 C ATOM 1129 C GLN A 165 21.373 0.000 2.094 1.00 70.22 C ATOM 1130 O GLN A 165 20.872 -1.115 2.230 1.00 50.40 O ATOM 1131 CB GLN A 165 23.415 0.878 0.891 1.00 54.21 C ATOM 1132 CG GLN A 165 23.069 0.186 -0.415 1.00 40.04 C ATOM 1133 CD GLN A 165 23.503 0.987 -1.629 1.00 35.24 C ATOM 1134 OE1 GLN A 165 24.504 1.706 -1.594 1.00 33.41 O ATOM 1135 NE2 GLN A 165 22.745 0.884 -2.706 1.00 33.53 N ATOM 0 H GLN A 165 23.377 -1.783 1.577 1.00 21.52 H new ATOM 0 HA GLN A 165 23.142 0.813 2.995 1.00 32.44 H new ATOM 0 HB2 GLN A 165 23.017 1.893 0.865 1.00 54.21 H new ATOM 0 HB3 GLN A 165 24.499 0.962 0.965 1.00 54.21 H new ATOM 0 HG2 GLN A 165 23.546 -0.794 -0.441 1.00 40.04 H new ATOM 0 HG3 GLN A 165 21.993 0.018 -0.460 1.00 40.04 H new ATOM 0 HE21 GLN A 165 21.924 0.278 -2.696 1.00 33.53 H new ATOM 0 HE22 GLN A 165 22.980 1.410 -3.548 1.00 33.53 H new ATOM 1144 N LYS A 166 20.650 1.090 1.900 1.00 32.33 N ATOM 1145 CA LYS A 166 19.196 1.055 1.966 1.00 10.40 C ATOM 1146 C LYS A 166 18.573 1.502 0.649 1.00 0.43 C ATOM 1147 O LYS A 166 17.956 0.705 -0.055 1.00 43.23 O ATOM 1148 CB LYS A 166 18.723 1.939 3.125 1.00 35.32 C ATOM 1149 CG LYS A 166 17.219 2.103 3.223 1.00 70.54 C ATOM 1150 CD LYS A 166 16.847 2.984 4.402 1.00 33.43 C ATOM 1151 CE LYS A 166 15.372 3.330 4.400 1.00 22.42 C ATOM 1152 NZ LYS A 166 14.997 4.190 5.551 1.00 64.31 N ATOM 0 H LYS A 166 21.043 2.009 1.696 1.00 32.33 H new ATOM 0 HA LYS A 166 18.873 0.029 2.142 1.00 10.40 H new ATOM 0 HB2 LYS A 166 19.091 1.516 4.060 1.00 35.32 H new ATOM 0 HB3 LYS A 166 19.176 2.925 3.021 1.00 35.32 H new ATOM 0 HG2 LYS A 166 16.836 2.541 2.301 1.00 70.54 H new ATOM 0 HG3 LYS A 166 16.749 1.126 3.331 1.00 70.54 H new ATOM 0 HD2 LYS A 166 17.100 2.474 5.331 1.00 33.43 H new ATOM 0 HD3 LYS A 166 17.436 3.901 4.371 1.00 33.43 H new ATOM 0 HE2 LYS A 166 15.121 3.841 3.470 1.00 22.42 H new ATOM 0 HE3 LYS A 166 14.785 2.412 4.428 1.00 22.42 H new ATOM 0 HZ1 LYS A 166 13.980 4.402 5.509 1.00 64.31 H new ATOM 0 HZ2 LYS A 166 15.211 3.694 6.439 1.00 64.31 H new ATOM 0 HZ3 LYS A 166 15.537 5.078 5.511 1.00 64.31 H new ATOM 1166 N TYR A 167 18.731 2.773 0.323 1.00 13.12 N ATOM 1167 CA TYR A 167 18.188 3.314 -0.914 1.00 34.11 C ATOM 1168 C TYR A 167 18.962 2.814 -2.126 1.00 43.34 C ATOM 1169 O TYR A 167 20.104 3.215 -2.362 1.00 63.02 O ATOM 1170 CB TYR A 167 18.195 4.842 -0.889 1.00 62.20 C ATOM 1171 CG TYR A 167 17.097 5.452 -0.044 1.00 43.11 C ATOM 1172 CD1 TYR A 167 16.959 6.828 0.042 1.00 2.04 C ATOM 1173 CD2 TYR A 167 16.194 4.658 0.654 1.00 24.05 C ATOM 1174 CE1 TYR A 167 15.958 7.399 0.799 1.00 15.44 C ATOM 1175 CE2 TYR A 167 15.190 5.222 1.416 1.00 53.30 C ATOM 1176 CZ TYR A 167 15.076 6.594 1.484 1.00 41.43 C ATOM 1177 OH TYR A 167 14.079 7.162 2.243 1.00 14.53 O ATOM 0 H TYR A 167 19.231 3.452 0.897 1.00 13.12 H new ATOM 0 HA TYR A 167 17.158 2.966 -0.996 1.00 34.11 H new ATOM 0 HB2 TYR A 167 19.160 5.184 -0.514 1.00 62.20 H new ATOM 0 HB3 TYR A 167 18.101 5.212 -1.910 1.00 62.20 H new ATOM 0 HD1 TYR A 167 17.648 7.465 -0.493 1.00 2.04 H new ATOM 0 HD2 TYR A 167 16.279 3.583 0.599 1.00 24.05 H new ATOM 0 HE1 TYR A 167 15.866 8.474 0.854 1.00 15.44 H new ATOM 0 HE2 TYR A 167 14.498 4.592 1.955 1.00 53.30 H new ATOM 0 HH TYR A 167 13.543 6.456 2.660 1.00 14.53 H new ATOM 1187 N HIS A 168 18.336 1.927 -2.877 1.00 43.12 N ATOM 1188 CA HIS A 168 18.900 1.439 -4.125 1.00 43.51 C ATOM 1189 C HIS A 168 18.179 2.073 -5.298 1.00 22.14 C ATOM 1190 O HIS A 168 17.005 2.432 -5.193 1.00 44.13 O ATOM 1191 CB HIS A 168 18.798 -0.083 -4.224 1.00 50.02 C ATOM 1192 CG HIS A 168 19.790 -0.818 -3.381 1.00 2.33 C ATOM 1193 ND1 HIS A 168 20.848 -1.491 -3.946 1.00 2.44 N ATOM 1194 CD2 HIS A 168 19.833 -0.975 -2.038 1.00 60.41 C ATOM 1195 CE1 HIS A 168 21.505 -2.040 -2.942 1.00 72.23 C ATOM 1196 NE2 HIS A 168 20.927 -1.754 -1.768 1.00 41.41 N ATOM 0 H HIS A 168 17.428 1.526 -2.643 1.00 43.12 H new ATOM 0 HA HIS A 168 19.955 1.713 -4.147 1.00 43.51 H new ATOM 0 HB2 HIS A 168 17.793 -0.389 -3.933 1.00 50.02 H new ATOM 0 HB3 HIS A 168 18.932 -0.378 -5.265 1.00 50.02 H new ATOM 0 HD2 HIS A 168 19.139 -0.566 -1.318 1.00 60.41 H new ATOM 0 HE1 HIS A 168 22.394 -2.643 -3.053 1.00 72.23 H new ATOM 0 HE2 HIS A 168 21.242 -2.059 -0.847 1.00 41.41 H new ATOM 1204 N THR A 169 18.878 2.214 -6.409 1.00 41.43 N ATOM 1205 CA THR A 169 18.288 2.795 -7.594 1.00 73.23 C ATOM 1206 C THR A 169 18.097 1.730 -8.671 1.00 14.40 C ATOM 1207 O THR A 169 18.952 1.541 -9.535 1.00 10.01 O ATOM 1208 CB THR A 169 19.146 3.952 -8.144 1.00 62.31 C ATOM 1209 OG1 THR A 169 19.463 4.871 -7.086 1.00 55.03 O ATOM 1210 CG2 THR A 169 18.408 4.694 -9.246 1.00 63.25 C ATOM 0 H THR A 169 19.853 1.934 -6.513 1.00 41.43 H new ATOM 0 HA THR A 169 17.316 3.199 -7.313 1.00 73.23 H new ATOM 0 HB THR A 169 20.063 3.530 -8.555 1.00 62.31 H new ATOM 0 HG1 THR A 169 20.010 5.603 -7.441 1.00 55.03 H new ATOM 0 HG21 THR A 169 19.032 5.506 -9.619 1.00 63.25 H new ATOM 0 HG22 THR A 169 18.183 4.006 -10.061 1.00 63.25 H new ATOM 0 HG23 THR A 169 17.479 5.103 -8.850 1.00 63.25 H new ATOM 1218 N VAL A 170 16.985 1.017 -8.588 1.00 35.22 N ATOM 1219 CA VAL A 170 16.661 -0.012 -9.565 1.00 41.21 C ATOM 1220 C VAL A 170 15.614 0.514 -10.537 1.00 61.41 C ATOM 1221 O VAL A 170 14.645 1.149 -10.120 1.00 70.45 O ATOM 1222 CB VAL A 170 16.163 -1.315 -8.890 1.00 51.30 C ATOM 1223 CG1 VAL A 170 15.015 -1.038 -7.932 1.00 53.32 C ATOM 1224 CG2 VAL A 170 15.755 -2.343 -9.937 1.00 32.44 C ATOM 0 H VAL A 170 16.289 1.132 -7.851 1.00 35.22 H new ATOM 0 HA VAL A 170 17.573 -0.258 -10.108 1.00 41.21 H new ATOM 0 HB VAL A 170 16.989 -1.725 -8.309 1.00 51.30 H new ATOM 0 HG11 VAL A 170 14.689 -1.972 -7.475 1.00 53.32 H new ATOM 0 HG12 VAL A 170 15.348 -0.351 -7.154 1.00 53.32 H new ATOM 0 HG13 VAL A 170 14.184 -0.592 -8.479 1.00 53.32 H new ATOM 0 HG21 VAL A 170 15.409 -3.250 -9.441 1.00 32.44 H new ATOM 0 HG22 VAL A 170 14.952 -1.937 -10.552 1.00 32.44 H new ATOM 0 HG23 VAL A 170 16.612 -2.579 -10.568 1.00 32.44 H new ATOM 1234 N ASN A 171 15.852 0.304 -11.834 1.00 72.45 N ATOM 1235 CA ASN A 171 14.972 0.812 -12.896 1.00 31.32 C ATOM 1236 C ASN A 171 15.113 2.333 -13.030 1.00 42.14 C ATOM 1237 O ASN A 171 14.736 2.920 -14.045 1.00 21.13 O ATOM 1238 CB ASN A 171 13.505 0.403 -12.631 1.00 55.22 C ATOM 1239 CG ASN A 171 12.497 1.168 -13.474 1.00 61.42 C ATOM 1240 OD1 ASN A 171 12.200 0.795 -14.609 1.00 32.41 O ATOM 1241 ND2 ASN A 171 11.939 2.228 -12.909 1.00 50.23 N ATOM 0 H ASN A 171 16.656 -0.220 -12.179 1.00 72.45 H new ATOM 0 HA ASN A 171 15.275 0.364 -13.842 1.00 31.32 H new ATOM 0 HB2 ASN A 171 13.393 -0.664 -12.826 1.00 55.22 H new ATOM 0 HB3 ASN A 171 13.278 0.560 -11.577 1.00 55.22 H new ATOM 0 HD21 ASN A 171 11.237 2.766 -13.417 1.00 50.23 H new ATOM 0 HD22 ASN A 171 12.211 2.506 -11.966 1.00 50.23 H new ATOM 1248 N GLY A 172 15.719 2.949 -12.027 1.00 60.23 N ATOM 1249 CA GLY A 172 15.794 4.391 -11.960 1.00 61.13 C ATOM 1250 C GLY A 172 15.020 4.917 -10.772 1.00 12.31 C ATOM 1251 O GLY A 172 15.020 6.118 -10.490 1.00 24.01 O ATOM 0 H GLY A 172 16.166 2.466 -11.248 1.00 60.23 H new ATOM 0 HA2 GLY A 172 16.836 4.702 -11.887 1.00 61.13 H new ATOM 0 HA3 GLY A 172 15.396 4.823 -12.878 1.00 61.13 H new ATOM 1255 N HIS A 173 14.377 4.000 -10.064 1.00 32.24 N ATOM 1256 CA HIS A 173 13.540 4.340 -8.927 1.00 63.22 C ATOM 1257 C HIS A 173 14.344 4.246 -7.630 1.00 14.02 C ATOM 1258 O HIS A 173 15.272 3.441 -7.527 1.00 0.52 O ATOM 1259 CB HIS A 173 12.338 3.391 -8.875 1.00 4.33 C ATOM 1260 CG HIS A 173 11.238 3.851 -7.970 1.00 23.33 C ATOM 1261 ND1 HIS A 173 11.289 3.652 -6.615 1.00 1.44 N ATOM 1262 CD2 HIS A 173 10.098 4.507 -8.278 1.00 40.01 C ATOM 1263 CE1 HIS A 173 10.188 4.191 -6.128 1.00 54.01 C ATOM 1264 NE2 HIS A 173 9.433 4.723 -7.099 1.00 11.25 N ATOM 0 H HIS A 173 14.422 3.001 -10.263 1.00 32.24 H new ATOM 0 HA HIS A 173 13.184 5.364 -9.038 1.00 63.22 H new ATOM 0 HB2 HIS A 173 11.939 3.271 -9.882 1.00 4.33 H new ATOM 0 HB3 HIS A 173 12.678 2.409 -8.547 1.00 4.33 H new ATOM 0 HD2 HIS A 173 9.773 4.804 -9.264 1.00 40.01 H new ATOM 0 HE1 HIS A 173 9.928 4.202 -5.080 1.00 54.01 H new ATOM 0 HE2 HIS A 173 8.537 5.197 -6.983 1.00 11.25 H new ATOM 1272 N ASN A 174 13.996 5.079 -6.657 1.00 63.24 N ATOM 1273 CA ASN A 174 14.648 5.059 -5.352 1.00 11.31 C ATOM 1274 C ASN A 174 13.858 4.184 -4.383 1.00 73.55 C ATOM 1275 O ASN A 174 12.812 4.591 -3.866 1.00 3.01 O ATOM 1276 CB ASN A 174 14.771 6.478 -4.789 1.00 20.01 C ATOM 1277 CG ASN A 174 15.507 6.524 -3.462 1.00 23.15 C ATOM 1278 OD1 ASN A 174 14.905 6.380 -2.396 1.00 15.22 O ATOM 1279 ND2 ASN A 174 16.812 6.739 -3.514 1.00 11.12 N ATOM 0 H ASN A 174 13.262 5.781 -6.747 1.00 63.24 H new ATOM 0 HA ASN A 174 15.648 4.644 -5.474 1.00 11.31 H new ATOM 0 HB2 ASN A 174 15.293 7.106 -5.511 1.00 20.01 H new ATOM 0 HB3 ASN A 174 13.774 6.901 -4.661 1.00 20.01 H new ATOM 0 HD21 ASN A 174 17.355 6.790 -2.652 1.00 11.12 H new ATOM 0 HD22 ASN A 174 17.275 6.853 -4.416 1.00 11.12 H new ATOM 1286 N CYS A 175 14.353 2.981 -4.149 1.00 31.21 N ATOM 1287 CA CYS A 175 13.651 2.018 -3.316 1.00 73.53 C ATOM 1288 C CYS A 175 14.432 1.719 -2.041 1.00 21.25 C ATOM 1289 O CYS A 175 15.655 1.855 -2.007 1.00 11.33 O ATOM 1290 CB CYS A 175 13.432 0.724 -4.099 1.00 61.34 C ATOM 1291 SG CYS A 175 12.717 0.971 -5.740 1.00 23.31 S ATOM 0 H CYS A 175 15.240 2.647 -4.525 1.00 31.21 H new ATOM 0 HA CYS A 175 12.689 2.448 -3.035 1.00 73.53 H new ATOM 0 HB2 CYS A 175 14.387 0.209 -4.204 1.00 61.34 H new ATOM 0 HB3 CYS A 175 12.778 0.069 -3.523 1.00 61.34 H new ATOM 0 HG CYS A 175 12.199 2.161 -5.813 1.00 23.31 H new ATOM 1297 N GLU A 176 13.720 1.314 -0.999 1.00 54.14 N ATOM 1298 CA GLU A 176 14.348 0.896 0.241 1.00 33.41 C ATOM 1299 C GLU A 176 14.593 -0.603 0.210 1.00 53.12 C ATOM 1300 O GLU A 176 13.658 -1.395 0.063 1.00 32.14 O ATOM 1301 CB GLU A 176 13.473 1.263 1.443 1.00 33.11 C ATOM 1302 CG GLU A 176 13.930 0.637 2.754 1.00 72.21 C ATOM 1303 CD GLU A 176 12.897 0.753 3.860 1.00 63.11 C ATOM 1304 OE1 GLU A 176 12.750 1.854 4.432 1.00 73.55 O ATOM 1305 OE2 GLU A 176 12.243 -0.262 4.179 1.00 70.30 O ATOM 0 H GLU A 176 12.701 1.267 -0.991 1.00 54.14 H new ATOM 0 HA GLU A 176 15.301 1.415 0.343 1.00 33.41 H new ATOM 0 HB2 GLU A 176 13.462 2.347 1.554 1.00 33.11 H new ATOM 0 HB3 GLU A 176 12.448 0.953 1.242 1.00 33.11 H new ATOM 0 HG2 GLU A 176 14.158 -0.416 2.587 1.00 72.21 H new ATOM 0 HG3 GLU A 176 14.854 1.117 3.076 1.00 72.21 H new ATOM 1312 N VAL A 177 15.849 -0.984 0.316 1.00 71.41 N ATOM 1313 CA VAL A 177 16.218 -2.380 0.304 1.00 23.01 C ATOM 1314 C VAL A 177 16.872 -2.774 1.621 1.00 33.34 C ATOM 1315 O VAL A 177 17.662 -2.022 2.192 1.00 33.55 O ATOM 1316 CB VAL A 177 17.164 -2.704 -0.864 1.00 44.31 C ATOM 1317 CG1 VAL A 177 17.483 -4.185 -0.895 1.00 52.13 C ATOM 1318 CG2 VAL A 177 16.556 -2.258 -2.184 1.00 14.44 C ATOM 0 H VAL A 177 16.634 -0.340 0.412 1.00 71.41 H new ATOM 0 HA VAL A 177 15.303 -2.957 0.172 1.00 23.01 H new ATOM 0 HB VAL A 177 18.095 -2.157 -0.715 1.00 44.31 H new ATOM 0 HG11 VAL A 177 18.154 -4.395 -1.728 1.00 52.13 H new ATOM 0 HG12 VAL A 177 17.964 -4.473 0.040 1.00 52.13 H new ATOM 0 HG13 VAL A 177 16.561 -4.753 -1.019 1.00 52.13 H new ATOM 0 HG21 VAL A 177 17.240 -2.496 -2.999 1.00 14.44 H new ATOM 0 HG22 VAL A 177 15.610 -2.776 -2.342 1.00 14.44 H new ATOM 0 HG23 VAL A 177 16.381 -1.182 -2.159 1.00 14.44 H new ATOM 1328 N ARG A 178 16.514 -3.951 2.102 1.00 41.11 N ATOM 1329 CA ARG A 178 17.005 -4.457 3.372 1.00 63.42 C ATOM 1330 C ARG A 178 16.857 -5.972 3.412 1.00 21.30 C ATOM 1331 O ARG A 178 16.265 -6.560 2.509 1.00 23.22 O ATOM 1332 CB ARG A 178 16.241 -3.789 4.524 1.00 33.51 C ATOM 1333 CG ARG A 178 14.794 -3.475 4.177 1.00 74.22 C ATOM 1334 CD ARG A 178 14.206 -2.417 5.091 1.00 72.45 C ATOM 1335 NE ARG A 178 13.747 -2.963 6.364 1.00 20.20 N ATOM 1336 CZ ARG A 178 12.495 -2.841 6.802 1.00 34.13 C ATOM 1337 NH1 ARG A 178 11.612 -2.124 6.114 1.00 15.10 N ATOM 1338 NH2 ARG A 178 12.129 -3.402 7.944 1.00 64.25 N ATOM 0 H ARG A 178 15.874 -4.584 1.623 1.00 41.11 H new ATOM 0 HA ARG A 178 18.063 -4.217 3.483 1.00 63.42 H new ATOM 0 HB2 ARG A 178 16.266 -4.443 5.396 1.00 33.51 H new ATOM 0 HB3 ARG A 178 16.750 -2.866 4.803 1.00 33.51 H new ATOM 0 HG2 ARG A 178 14.735 -3.134 3.143 1.00 74.22 H new ATOM 0 HG3 ARG A 178 14.199 -4.386 4.247 1.00 74.22 H new ATOM 0 HD2 ARG A 178 14.956 -1.648 5.279 1.00 72.45 H new ATOM 0 HD3 ARG A 178 13.371 -1.931 4.587 1.00 72.45 H new ATOM 0 HE ARG A 178 14.418 -3.463 6.947 1.00 20.20 H new ATOM 0 HH11 ARG A 178 11.892 -1.665 5.247 1.00 15.10 H new ATOM 0 HH12 ARG A 178 10.654 -2.033 6.453 1.00 15.10 H new ATOM 0 HH21 ARG A 178 12.807 -3.931 8.493 1.00 64.25 H new ATOM 0 HH22 ARG A 178 11.169 -3.306 8.275 1.00 64.25 H new ATOM 1352 N LYS A 179 17.414 -6.602 4.440 1.00 53.31 N ATOM 1353 CA LYS A 179 17.331 -8.054 4.584 1.00 4.52 C ATOM 1354 C LYS A 179 15.879 -8.481 4.755 1.00 61.42 C ATOM 1355 O LYS A 179 15.198 -8.017 5.670 1.00 35.04 O ATOM 1356 CB LYS A 179 18.155 -8.525 5.793 1.00 73.20 C ATOM 1357 CG LYS A 179 19.633 -8.181 5.696 1.00 31.32 C ATOM 1358 CD LYS A 179 20.408 -8.521 6.966 1.00 44.13 C ATOM 1359 CE LYS A 179 20.593 -10.022 7.163 1.00 51.35 C ATOM 1360 NZ LYS A 179 19.362 -10.694 7.666 1.00 20.34 N ATOM 0 H LYS A 179 17.928 -6.133 5.186 1.00 53.31 H new ATOM 0 HA LYS A 179 17.737 -8.512 3.682 1.00 4.52 H new ATOM 0 HB2 LYS A 179 17.745 -8.076 6.698 1.00 73.20 H new ATOM 0 HB3 LYS A 179 18.048 -9.605 5.896 1.00 73.20 H new ATOM 0 HG2 LYS A 179 20.071 -8.718 4.855 1.00 31.32 H new ATOM 0 HG3 LYS A 179 19.740 -7.117 5.485 1.00 31.32 H new ATOM 0 HD2 LYS A 179 21.386 -8.041 6.929 1.00 44.13 H new ATOM 0 HD3 LYS A 179 19.883 -8.108 7.828 1.00 44.13 H new ATOM 0 HE2 LYS A 179 20.887 -10.475 6.216 1.00 51.35 H new ATOM 0 HE3 LYS A 179 21.408 -10.194 7.866 1.00 51.35 H new ATOM 0 HZ1 LYS A 179 19.627 -11.476 8.298 1.00 20.34 H new ATOM 0 HZ2 LYS A 179 18.781 -10.008 8.189 1.00 20.34 H new ATOM 0 HZ3 LYS A 179 18.817 -11.067 6.863 1.00 20.34 H new ATOM 1374 N ALA A 180 15.402 -9.344 3.866 1.00 34.23 N ATOM 1375 CA ALA A 180 14.036 -9.838 3.958 1.00 53.14 C ATOM 1376 C ALA A 180 13.908 -10.859 5.079 1.00 63.23 C ATOM 1377 O ALA A 180 14.148 -12.049 4.882 1.00 73.51 O ATOM 1378 CB ALA A 180 13.579 -10.437 2.635 1.00 71.33 C ATOM 0 H ALA A 180 15.937 -9.713 3.080 1.00 34.23 H new ATOM 0 HA ALA A 180 13.389 -8.991 4.186 1.00 53.14 H new ATOM 0 HB1 ALA A 180 12.555 -10.798 2.733 1.00 71.33 H new ATOM 0 HB2 ALA A 180 13.622 -9.675 1.857 1.00 71.33 H new ATOM 0 HB3 ALA A 180 14.232 -11.267 2.367 1.00 71.33 H new ATOM 1384 N LEU A 181 13.570 -10.380 6.266 1.00 73.34 N ATOM 1385 CA LEU A 181 13.362 -11.258 7.404 1.00 2.03 C ATOM 1386 C LEU A 181 11.969 -11.863 7.330 1.00 31.20 C ATOM 1387 O LEU A 181 11.013 -11.183 6.950 1.00 32.54 O ATOM 1388 CB LEU A 181 13.557 -10.516 8.741 1.00 40.32 C ATOM 1389 CG LEU A 181 12.458 -9.524 9.150 1.00 51.22 C ATOM 1390 CD1 LEU A 181 12.671 -9.068 10.584 1.00 65.45 C ATOM 1391 CD2 LEU A 181 12.431 -8.313 8.228 1.00 24.30 C ATOM 0 H LEU A 181 13.434 -9.389 6.465 1.00 73.34 H new ATOM 0 HA LEU A 181 14.108 -12.052 7.364 1.00 2.03 H new ATOM 0 HB2 LEU A 181 13.654 -11.260 9.531 1.00 40.32 H new ATOM 0 HB3 LEU A 181 14.502 -9.975 8.695 1.00 40.32 H new ATOM 0 HG LEU A 181 11.500 -10.038 9.068 1.00 51.22 H new ATOM 0 HD11 LEU A 181 11.886 -8.365 10.863 1.00 65.45 H new ATOM 0 HD12 LEU A 181 12.638 -9.931 11.249 1.00 65.45 H new ATOM 0 HD13 LEU A 181 13.642 -8.580 10.670 1.00 65.45 H new ATOM 0 HD21 LEU A 181 11.642 -7.631 8.546 1.00 24.30 H new ATOM 0 HD22 LEU A 181 13.392 -7.801 8.272 1.00 24.30 H new ATOM 0 HD23 LEU A 181 12.239 -8.638 7.205 1.00 24.30 H new ATOM 1403 N SER A 182 11.869 -13.141 7.662 1.00 73.13 N ATOM 1404 CA SER A 182 10.601 -13.851 7.657 1.00 50.30 C ATOM 1405 C SER A 182 9.544 -13.077 8.443 1.00 70.31 C ATOM 1406 O SER A 182 9.792 -12.655 9.575 1.00 51.40 O ATOM 1407 CB SER A 182 10.802 -15.238 8.262 1.00 0.32 C ATOM 1408 OG SER A 182 11.871 -15.915 7.621 1.00 24.44 O ATOM 0 H SER A 182 12.665 -13.714 7.942 1.00 73.13 H new ATOM 0 HA SER A 182 10.250 -13.948 6.630 1.00 50.30 H new ATOM 0 HB2 SER A 182 11.009 -15.148 9.328 1.00 0.32 H new ATOM 0 HB3 SER A 182 9.885 -15.820 8.163 1.00 0.32 H new ATOM 0 HG SER A 182 11.985 -16.801 8.024 1.00 24.44 H new ATOM 1414 N LYS A 183 8.367 -12.890 7.847 1.00 52.43 N ATOM 1415 CA LYS A 183 7.310 -12.119 8.494 1.00 63.13 C ATOM 1416 C LYS A 183 6.841 -12.812 9.765 1.00 63.10 C ATOM 1417 O LYS A 183 6.318 -12.172 10.676 1.00 31.14 O ATOM 1418 CB LYS A 183 6.125 -11.875 7.552 1.00 2.25 C ATOM 1419 CG LYS A 183 5.416 -13.130 7.083 1.00 10.04 C ATOM 1420 CD LYS A 183 4.081 -12.780 6.452 1.00 1.25 C ATOM 1421 CE LYS A 183 3.543 -13.908 5.594 1.00 71.20 C ATOM 1422 NZ LYS A 183 3.248 -15.131 6.384 1.00 1.13 N ATOM 0 H LYS A 183 8.124 -13.258 6.927 1.00 52.43 H new ATOM 0 HA LYS A 183 7.730 -11.148 8.756 1.00 63.13 H new ATOM 0 HB2 LYS A 183 5.403 -11.234 8.058 1.00 2.25 H new ATOM 0 HB3 LYS A 183 6.480 -11.327 6.679 1.00 2.25 H new ATOM 0 HG2 LYS A 183 6.039 -13.659 6.361 1.00 10.04 H new ATOM 0 HG3 LYS A 183 5.261 -13.804 7.925 1.00 10.04 H new ATOM 0 HD2 LYS A 183 3.360 -12.546 7.236 1.00 1.25 H new ATOM 0 HD3 LYS A 183 4.192 -11.883 5.843 1.00 1.25 H new ATOM 0 HE2 LYS A 183 2.635 -13.576 5.091 1.00 71.20 H new ATOM 0 HE3 LYS A 183 4.269 -14.147 4.817 1.00 71.20 H new ATOM 0 HZ1 LYS A 183 2.851 -15.861 5.758 1.00 1.13 H new ATOM 0 HZ2 LYS A 183 4.125 -15.485 6.816 1.00 1.13 H new ATOM 0 HZ3 LYS A 183 2.561 -14.904 7.131 1.00 1.13 H new ATOM 1436 N GLN A 184 7.059 -14.119 9.829 1.00 1.11 N ATOM 1437 CA GLN A 184 6.737 -14.892 11.016 1.00 32.11 C ATOM 1438 C GLN A 184 7.599 -14.417 12.182 1.00 52.25 C ATOM 1439 O GLN A 184 7.132 -14.310 13.315 1.00 40.03 O ATOM 1440 CB GLN A 184 6.963 -16.384 10.731 1.00 10.45 C ATOM 1441 CG GLN A 184 6.445 -17.327 11.807 1.00 55.14 C ATOM 1442 CD GLN A 184 7.500 -17.701 12.828 1.00 65.14 C ATOM 1443 OE1 GLN A 184 7.651 -17.047 13.857 1.00 33.04 O ATOM 1444 NE2 GLN A 184 8.235 -18.762 12.546 1.00 50.42 N ATOM 0 H GLN A 184 7.460 -14.666 9.067 1.00 1.11 H new ATOM 0 HA GLN A 184 5.690 -14.748 11.283 1.00 32.11 H new ATOM 0 HB2 GLN A 184 6.482 -16.635 9.786 1.00 10.45 H new ATOM 0 HB3 GLN A 184 8.031 -16.556 10.601 1.00 10.45 H new ATOM 0 HG2 GLN A 184 5.604 -16.859 12.318 1.00 55.14 H new ATOM 0 HG3 GLN A 184 6.067 -18.234 11.335 1.00 55.14 H new ATOM 0 HE21 GLN A 184 8.076 -19.277 11.680 1.00 50.42 H new ATOM 0 HE22 GLN A 184 8.961 -19.066 13.194 1.00 50.42 H new ATOM 1453 N GLU A 185 8.845 -14.078 11.876 1.00 52.24 N ATOM 1454 CA GLU A 185 9.790 -13.655 12.891 1.00 4.10 C ATOM 1455 C GLU A 185 9.704 -12.157 13.126 1.00 22.14 C ATOM 1456 O GLU A 185 9.865 -11.697 14.252 1.00 43.04 O ATOM 1457 CB GLU A 185 11.209 -14.042 12.486 1.00 11.14 C ATOM 1458 CG GLU A 185 11.459 -15.538 12.518 1.00 22.51 C ATOM 1459 CD GLU A 185 11.550 -16.087 13.930 1.00 73.43 C ATOM 1460 OE1 GLU A 185 10.982 -17.167 14.196 1.00 43.42 O ATOM 1461 OE2 GLU A 185 12.197 -15.443 14.782 1.00 13.22 O ATOM 0 H GLU A 185 9.222 -14.089 10.928 1.00 52.24 H new ATOM 0 HA GLU A 185 9.535 -14.161 13.822 1.00 4.10 H new ATOM 0 HB2 GLU A 185 11.406 -13.670 11.481 1.00 11.14 H new ATOM 0 HB3 GLU A 185 11.916 -13.549 13.153 1.00 11.14 H new ATOM 0 HG2 GLU A 185 10.656 -16.048 11.986 1.00 22.51 H new ATOM 0 HG3 GLU A 185 12.385 -15.759 11.986 1.00 22.51 H new ATOM 1468 N MET A 186 9.435 -11.394 12.067 1.00 2.55 N ATOM 1469 CA MET A 186 9.315 -9.946 12.202 1.00 14.45 C ATOM 1470 C MET A 186 8.132 -9.612 13.103 1.00 53.22 C ATOM 1471 O MET A 186 8.129 -8.595 13.797 1.00 23.43 O ATOM 1472 CB MET A 186 9.162 -9.251 10.836 1.00 53.11 C ATOM 1473 CG MET A 186 7.733 -9.198 10.312 1.00 53.21 C ATOM 1474 SD MET A 186 7.511 -7.964 9.017 1.00 64.55 S ATOM 1475 CE MET A 186 8.711 -8.512 7.811 1.00 75.11 C ATOM 0 H MET A 186 9.298 -11.749 11.121 1.00 2.55 H new ATOM 0 HA MET A 186 10.235 -9.573 12.652 1.00 14.45 H new ATOM 0 HB2 MET A 186 9.545 -8.233 10.915 1.00 53.11 H new ATOM 0 HB3 MET A 186 9.784 -9.770 10.107 1.00 53.11 H new ATOM 0 HG2 MET A 186 7.456 -10.179 9.925 1.00 53.21 H new ATOM 0 HG3 MET A 186 7.056 -8.978 11.137 1.00 53.21 H new ATOM 0 HE1 MET A 186 9.561 -7.830 7.808 1.00 75.11 H new ATOM 0 HE2 MET A 186 9.052 -9.515 8.067 1.00 75.11 H new ATOM 0 HE3 MET A 186 8.253 -8.526 6.822 1.00 75.11 H new