USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 540 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 100 ASN :FLIP amide:sc= -0.966 F(o=-4.6,f=-1.5) USER MOD Set 1.2: A 144 HIS :FLIP no HD1:sc= -0.554 X(o=-1.8,f=-1.5) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 142:sc= 0.175 USER MOD Set 3.1: A 108 LYS NZ :NH3+ 167:sc= 1.16 (180deg=-0.318) USER MOD Set 3.2: A 109 SER OG : rot -119:sc= 1.05 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.00364 X(o=0.0036,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.503 K(o=0.5,f=-7.6!) USER MOD Single : A 113 LYS NZ :NH3+ -151:sc= -0.256 (180deg=-0.903) USER MOD Single : A 118 THR OG1 : rot 77:sc= 1.09 USER MOD Single : A 124 ASN : amide:sc= 1.29 K(o=1.3,f=-0.71) USER MOD Single : A 127 SER OG : rot 4:sc= 0.229 USER MOD Single : A 128 CYS SG : rot 39:sc= -4.04! USER MOD Single : A 129 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0746) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 148 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.27) USER MOD Single : A 157 LYS NZ :NH3+ -160:sc= -0.0362 (180deg=-0.281) USER MOD Single : A 158 MET CE :methyl -171:sc= -0.458 (180deg=-0.761) USER MOD Single : A 159 ASN : amide:sc= -1.36 K(o=-1.4,f=-5!) USER MOD Single : A 161 MET CE :methyl 144:sc= -0.157 (180deg=-0.679) USER MOD Single : A 164 ASN : amide:sc= 0.269 K(o=0.27,f=-1.9!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.118 -1.468 4.493 1.00 0.29 N ATOM 141 CA VAL A 98 10.975 -2.916 4.291 1.00 0.33 C ATOM 142 C VAL A 98 9.515 -3.341 4.240 1.00 0.25 C ATOM 143 O VAL A 98 8.739 -3.066 5.153 1.00 0.27 O ATOM 144 CB VAL A 98 11.709 -3.753 5.353 1.00 0.49 C ATOM 145 CG1 VAL A 98 11.259 -5.204 5.293 1.00 0.47 C ATOM 146 CG2 VAL A 98 13.201 -3.679 5.141 1.00 0.71 C ATOM 0 HA VAL A 98 11.443 -3.113 3.326 1.00 0.33 H new ATOM 0 HB VAL A 98 11.466 -3.346 6.334 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.789 -5.781 6.051 1.00 0.47 H new ATOM 0 HG12 VAL A 98 10.186 -5.260 5.478 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.479 -5.613 4.307 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.706 -4.276 5.900 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.448 -4.065 4.152 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.528 -2.642 5.218 1.00 0.71 H new ATOM 156 N GLY A 99 9.151 -4.011 3.159 1.00 0.21 N ATOM 157 CA GLY A 99 7.791 -4.467 3.004 1.00 0.20 C ATOM 158 C GLY A 99 6.846 -3.326 2.694 1.00 0.15 C ATOM 159 O GLY A 99 5.648 -3.411 2.947 1.00 0.18 O ATOM 0 H GLY A 99 9.775 -4.246 2.387 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.744 -5.205 2.203 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.469 -4.967 3.917 1.00 0.20 H new ATOM 163 N ASN A 100 7.393 -2.249 2.157 1.00 0.13 N ATOM 164 CA ASN A 100 6.612 -1.051 1.892 1.00 0.14 C ATOM 165 C ASN A 100 6.015 -1.138 0.498 1.00 0.14 C ATOM 166 O ASN A 100 6.727 -1.360 -0.484 1.00 0.19 O ATOM 167 CB ASN A 100 7.507 0.193 2.011 1.00 0.21 C ATOM 168 CG ASN A 100 8.441 0.144 3.196 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.092 -0.634 4.215 1.00 0.63 O flip ATOM 170 ND2 ASN A 100 9.489 0.782 3.178 1.00 0.20 N flip ATOM 0 H ASN A 100 8.376 -2.179 1.895 1.00 0.13 H new ATOM 0 HA ASN A 100 5.806 -0.972 2.622 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.094 0.299 1.099 1.00 0.21 H new ATOM 0 HB3 ASN A 100 6.877 1.079 2.090 1.00 0.21 H new ATOM 0 HD21 ASN A 100 9.716 1.367 2.374 1.00 0.20 H new ATOM 0 HD22 ASN A 100 10.133 0.727 3.967 1.00 0.20 H new ATOM 177 N ILE A 101 4.707 -0.972 0.423 1.00 0.12 N ATOM 178 CA ILE A 101 3.991 -1.001 -0.841 1.00 0.13 C ATOM 179 C ILE A 101 3.011 0.153 -0.895 1.00 0.12 C ATOM 180 O ILE A 101 2.690 0.744 0.140 1.00 0.15 O ATOM 181 CB ILE A 101 3.220 -2.326 -1.040 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.183 -2.516 0.072 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.185 -3.503 -1.091 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.422 -3.823 -0.012 1.00 0.13 C ATOM 0 H ILE A 101 4.111 -0.813 1.235 1.00 0.12 H new ATOM 0 HA ILE A 101 4.729 -0.916 -1.639 1.00 0.13 H new ATOM 0 HB ILE A 101 2.691 -2.280 -1.992 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.686 -2.462 1.037 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.472 -1.691 0.037 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.624 -4.427 -1.232 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.878 -3.369 -1.921 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.744 -3.556 -0.157 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.708 -3.882 0.809 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.888 -3.873 -0.961 1.00 0.13 H new ATOM 0 HD13 ILE A 101 2.121 -4.656 0.055 1.00 0.13 H new ATOM 196 N PHE A 102 2.533 0.472 -2.080 1.00 0.11 N ATOM 197 CA PHE A 102 1.530 1.508 -2.215 1.00 0.11 C ATOM 198 C PHE A 102 0.337 0.973 -2.996 1.00 0.09 C ATOM 199 O PHE A 102 0.487 0.124 -3.881 1.00 0.11 O ATOM 200 CB PHE A 102 2.121 2.769 -2.866 1.00 0.16 C ATOM 201 CG PHE A 102 1.803 2.947 -4.324 1.00 0.13 C ATOM 202 CD1 PHE A 102 2.590 2.364 -5.304 1.00 0.17 C ATOM 203 CD2 PHE A 102 0.718 3.718 -4.711 1.00 0.14 C ATOM 204 CE1 PHE A 102 2.296 2.543 -6.642 1.00 0.21 C ATOM 205 CE2 PHE A 102 0.417 3.899 -6.043 1.00 0.17 C ATOM 206 CZ PHE A 102 1.209 3.312 -7.013 1.00 0.20 C ATOM 0 H PHE A 102 2.819 0.034 -2.956 1.00 0.11 H new ATOM 0 HA PHE A 102 1.184 1.798 -1.223 1.00 0.11 H new ATOM 0 HB2 PHE A 102 1.759 3.642 -2.323 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.204 2.746 -2.747 1.00 0.16 H new ATOM 0 HD1 PHE A 102 3.442 1.764 -5.019 1.00 0.17 H new ATOM 0 HD2 PHE A 102 0.100 4.183 -3.958 1.00 0.14 H new ATOM 0 HE1 PHE A 102 2.915 2.082 -7.398 1.00 0.21 H new ATOM 0 HE2 PHE A 102 -0.435 4.498 -6.329 1.00 0.17 H new ATOM 0 HZ PHE A 102 0.979 3.454 -8.059 1.00 0.20 H new ATOM 216 N ILE A 103 -0.840 1.454 -2.643 1.00 0.08 N ATOM 217 CA ILE A 103 -2.078 1.010 -3.254 1.00 0.08 C ATOM 218 C ILE A 103 -2.756 2.180 -3.947 1.00 0.08 C ATOM 219 O ILE A 103 -2.782 3.284 -3.413 1.00 0.15 O ATOM 220 CB ILE A 103 -3.032 0.425 -2.196 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.332 -0.666 -1.393 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.287 -0.131 -2.848 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.560 -0.549 0.093 1.00 0.09 C ATOM 0 H ILE A 103 -0.965 2.165 -1.923 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.842 0.233 -3.981 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.322 1.229 -1.520 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.684 -1.640 -1.732 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.261 -0.626 -1.594 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.945 -0.539 -2.081 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.803 0.666 -3.383 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -4.014 -0.920 -3.549 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -2.035 -1.355 0.606 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.183 0.411 0.444 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.627 -0.619 0.304 1.00 0.09 H new ATOM 235 N LYS A 104 -3.293 1.939 -5.129 1.00 0.13 N ATOM 236 CA LYS A 104 -3.938 2.989 -5.900 1.00 0.13 C ATOM 237 C LYS A 104 -5.392 2.630 -6.173 1.00 0.12 C ATOM 238 O LYS A 104 -5.738 1.451 -6.220 1.00 0.14 O ATOM 239 CB LYS A 104 -3.208 3.175 -7.229 1.00 0.19 C ATOM 240 CG LYS A 104 -3.297 4.585 -7.793 1.00 0.28 C ATOM 241 CD LYS A 104 -2.285 4.825 -8.909 1.00 0.39 C ATOM 242 CE LYS A 104 -2.534 3.945 -10.127 1.00 0.66 C ATOM 243 NZ LYS A 104 -1.630 4.291 -11.254 1.00 1.46 N ATOM 0 H LYS A 104 -3.296 1.023 -5.578 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.901 3.915 -5.326 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.158 2.914 -7.094 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.619 2.477 -7.958 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.303 4.759 -8.174 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -3.130 5.306 -6.993 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.322 5.872 -9.209 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.280 4.638 -8.530 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -2.391 2.899 -9.855 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -3.570 4.052 -10.447 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -1.831 3.670 -12.064 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -1.784 5.282 -11.531 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -0.641 4.164 -10.957 1.00 1.46 H new ATOM 257 N ASN A 105 -6.225 3.654 -6.345 1.00 0.12 N ATOM 258 CA ASN A 105 -7.616 3.491 -6.772 1.00 0.13 C ATOM 259 C ASN A 105 -8.479 2.861 -5.668 1.00 0.15 C ATOM 260 O ASN A 105 -9.336 2.019 -5.932 1.00 0.25 O ATOM 261 CB ASN A 105 -7.671 2.660 -8.063 1.00 0.16 C ATOM 262 CG ASN A 105 -8.923 2.926 -8.881 1.00 0.23 C ATOM 263 OD1 ASN A 105 -8.976 3.879 -9.662 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.917 2.070 -8.740 1.00 0.34 N ATOM 0 H ASN A 105 -5.954 4.625 -6.192 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.031 4.479 -6.972 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -6.793 2.881 -8.669 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.626 1.601 -7.810 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.769 2.184 -9.288 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.833 1.295 -8.083 1.00 0.34 H new ATOM 271 N LEU A 106 -8.256 3.298 -4.430 1.00 0.14 N ATOM 272 CA LEU A 106 -9.043 2.834 -3.286 1.00 0.17 C ATOM 273 C LEU A 106 -10.394 3.537 -3.202 1.00 0.22 C ATOM 274 O LEU A 106 -10.623 4.563 -3.850 1.00 0.26 O ATOM 275 CB LEU A 106 -8.272 3.062 -1.985 1.00 0.16 C ATOM 276 CG LEU A 106 -7.150 2.063 -1.721 1.00 0.14 C ATOM 277 CD1 LEU A 106 -6.131 2.643 -0.767 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.721 0.780 -1.146 1.00 0.16 C ATOM 0 H LEU A 106 -7.533 3.977 -4.191 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.222 1.768 -3.429 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.848 4.066 -2.002 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.974 3.026 -1.152 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.655 1.845 -2.667 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.340 1.914 -0.593 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.702 3.548 -1.198 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.615 2.886 0.179 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -6.912 0.073 -0.961 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.234 0.998 -0.209 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.427 0.346 -1.854 1.00 0.16 H new ATOM 290 N ASP A 107 -11.287 2.964 -2.398 1.00 0.27 N ATOM 291 CA ASP A 107 -12.607 3.530 -2.157 1.00 0.32 C ATOM 292 C ASP A 107 -12.574 4.501 -0.977 1.00 0.30 C ATOM 293 O ASP A 107 -11.709 4.397 -0.106 1.00 0.26 O ATOM 294 CB ASP A 107 -13.604 2.400 -1.897 1.00 0.37 C ATOM 295 CG ASP A 107 -14.972 2.901 -1.485 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.605 3.629 -2.275 1.00 0.62 O ATOM 297 OD2 ASP A 107 -15.420 2.558 -0.374 1.00 0.71 O ATOM 0 H ASP A 107 -11.113 2.093 -1.896 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.920 4.089 -3.039 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.701 1.794 -2.798 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.211 1.749 -1.116 1.00 0.37 H new ATOM 302 N LYS A 108 -13.521 5.436 -0.958 1.00 0.38 N ATOM 303 CA LYS A 108 -13.572 6.477 0.066 1.00 0.43 C ATOM 304 C LYS A 108 -13.711 5.885 1.468 1.00 0.36 C ATOM 305 O LYS A 108 -13.137 6.397 2.427 1.00 0.46 O ATOM 306 CB LYS A 108 -14.745 7.434 -0.192 1.00 0.55 C ATOM 307 CG LYS A 108 -16.114 6.795 0.005 1.00 0.57 C ATOM 308 CD LYS A 108 -17.219 7.833 0.044 1.00 0.90 C ATOM 309 CE LYS A 108 -18.578 7.193 0.316 1.00 1.21 C ATOM 310 NZ LYS A 108 -18.607 6.487 1.625 1.00 2.20 N ATOM 0 H LYS A 108 -14.270 5.494 -1.647 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.631 7.024 0.010 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.655 8.292 0.475 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.675 7.814 -1.211 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -16.306 6.090 -0.804 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -16.119 6.224 0.933 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -17.001 8.569 0.818 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -17.251 8.368 -0.905 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -19.351 7.962 0.301 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.814 6.489 -0.482 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -19.590 6.258 1.874 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -18.054 5.609 1.558 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -18.197 7.099 2.359 1.00 2.20 H new ATOM 324 N SER A 109 -14.470 4.804 1.575 1.00 0.31 N ATOM 325 CA SER A 109 -14.803 4.224 2.867 1.00 0.40 C ATOM 326 C SER A 109 -13.669 3.347 3.409 1.00 0.34 C ATOM 327 O SER A 109 -13.765 2.812 4.516 1.00 0.43 O ATOM 328 CB SER A 109 -16.101 3.424 2.749 1.00 0.56 C ATOM 329 OG SER A 109 -17.133 4.213 2.171 1.00 1.41 O ATOM 0 H SER A 109 -14.869 4.309 0.777 1.00 0.31 H new ATOM 0 HA SER A 109 -14.943 5.036 3.580 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.932 2.537 2.139 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.411 3.079 3.735 1.00 0.56 H new ATOM 0 HG SER A 109 -17.875 4.297 2.806 1.00 1.41 H new ATOM 335 N ILE A 110 -12.605 3.185 2.628 1.00 0.23 N ATOM 336 CA ILE A 110 -11.451 2.415 3.076 1.00 0.20 C ATOM 337 C ILE A 110 -10.626 3.229 4.070 1.00 0.20 C ATOM 338 O ILE A 110 -10.119 4.299 3.740 1.00 0.26 O ATOM 339 CB ILE A 110 -10.563 1.973 1.889 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.330 0.999 0.987 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.269 1.335 2.385 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.667 -0.316 1.660 1.00 0.23 C ATOM 0 H ILE A 110 -12.518 3.574 1.689 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.825 1.516 3.567 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.302 2.858 1.308 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.253 1.475 0.655 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.736 0.799 0.095 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.662 1.033 1.532 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.715 2.056 2.987 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.504 0.460 2.991 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.209 -0.954 0.962 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.747 -0.814 1.967 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.288 -0.128 2.536 1.00 0.23 H new ATOM 354 N ASP A 111 -10.511 2.719 5.286 1.00 0.17 N ATOM 355 CA ASP A 111 -9.766 3.396 6.341 1.00 0.18 C ATOM 356 C ASP A 111 -8.473 2.629 6.612 1.00 0.14 C ATOM 357 O ASP A 111 -8.198 1.635 5.939 1.00 0.13 O ATOM 358 CB ASP A 111 -10.628 3.480 7.607 1.00 0.23 C ATOM 359 CG ASP A 111 -10.102 4.472 8.623 1.00 1.01 C ATOM 360 OD1 ASP A 111 -10.447 5.666 8.522 1.00 1.23 O ATOM 361 OD2 ASP A 111 -9.345 4.064 9.527 1.00 1.59 O ATOM 0 H ASP A 111 -10.927 1.832 5.570 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.514 4.410 6.030 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.644 3.759 7.329 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.683 2.493 8.067 1.00 0.23 H new ATOM 366 N ASN A 112 -7.701 3.048 7.612 1.00 0.15 N ATOM 367 CA ASN A 112 -6.411 2.419 7.885 1.00 0.13 C ATOM 368 C ASN A 112 -6.644 1.026 8.416 1.00 0.11 C ATOM 369 O ASN A 112 -5.876 0.104 8.158 1.00 0.12 O ATOM 370 CB ASN A 112 -5.595 3.211 8.908 1.00 0.16 C ATOM 371 CG ASN A 112 -5.154 4.571 8.402 1.00 0.19 C ATOM 372 OD1 ASN A 112 -5.078 4.806 7.199 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.826 5.469 9.315 1.00 0.55 N ATOM 0 H ASN A 112 -7.943 3.813 8.242 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.847 2.391 6.952 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.189 3.343 9.812 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.715 2.632 9.187 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.498 6.391 9.028 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -4.901 5.240 10.306 1.00 0.55 H new ATOM 380 N LYS A 113 -7.740 0.891 9.138 1.00 0.12 N ATOM 381 CA LYS A 113 -8.147 -0.354 9.704 1.00 0.12 C ATOM 382 C LYS A 113 -8.525 -1.301 8.599 1.00 0.11 C ATOM 383 O LYS A 113 -8.117 -2.443 8.573 1.00 0.11 O ATOM 384 CB LYS A 113 -9.377 -0.090 10.518 1.00 0.15 C ATOM 385 CG LYS A 113 -9.521 -0.940 11.771 1.00 0.28 C ATOM 386 CD LYS A 113 -9.320 -2.434 11.518 1.00 0.54 C ATOM 387 CE LYS A 113 -10.630 -3.188 11.275 1.00 1.63 C ATOM 388 NZ LYS A 113 -11.598 -3.002 12.387 1.00 2.58 N ATOM 0 H LYS A 113 -8.374 1.663 9.343 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.344 -0.781 10.304 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.382 0.960 10.809 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.252 -0.250 9.887 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.797 -0.604 12.514 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.512 -0.781 12.197 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -8.668 -2.565 10.654 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -8.808 -2.875 12.374 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -11.079 -2.843 10.343 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -10.419 -4.250 11.153 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -12.210 -3.840 12.458 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -11.081 -2.874 13.280 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -12.182 -2.162 12.202 1.00 2.58 H new ATOM 402 N ALA A 114 -9.338 -0.786 7.702 1.00 0.11 N ATOM 403 CA ALA A 114 -9.847 -1.555 6.577 1.00 0.12 C ATOM 404 C ALA A 114 -8.707 -2.036 5.690 1.00 0.11 C ATOM 405 O ALA A 114 -8.699 -3.179 5.224 1.00 0.13 O ATOM 406 CB ALA A 114 -10.813 -0.701 5.776 1.00 0.15 C ATOM 0 H ALA A 114 -9.668 0.179 7.729 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.370 -2.432 6.958 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.195 -1.277 4.933 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.643 -0.396 6.413 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.296 0.184 5.406 1.00 0.15 H new ATOM 412 N LEU A 115 -7.743 -1.158 5.471 1.00 0.09 N ATOM 413 CA LEU A 115 -6.570 -1.494 4.689 1.00 0.09 C ATOM 414 C LEU A 115 -5.748 -2.537 5.446 1.00 0.08 C ATOM 415 O LEU A 115 -5.367 -3.568 4.890 1.00 0.09 O ATOM 416 CB LEU A 115 -5.752 -0.217 4.442 1.00 0.10 C ATOM 417 CG LEU A 115 -4.763 -0.251 3.273 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.101 1.105 3.102 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.708 -1.313 3.479 1.00 0.11 C ATOM 0 H LEU A 115 -7.752 -0.202 5.827 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.858 -1.914 3.725 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.447 0.606 4.276 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.197 0.013 5.351 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.323 -0.495 2.370 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.401 1.065 2.268 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.862 1.859 2.901 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.564 1.365 4.014 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -3.021 -1.312 2.633 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.155 -1.104 4.395 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.185 -2.290 3.558 1.00 0.11 H new ATOM 431 N TYR A 116 -5.524 -2.280 6.730 1.00 0.08 N ATOM 432 CA TYR A 116 -4.821 -3.221 7.585 1.00 0.09 C ATOM 433 C TYR A 116 -5.550 -4.554 7.635 1.00 0.10 C ATOM 434 O TYR A 116 -4.936 -5.596 7.465 1.00 0.11 O ATOM 435 CB TYR A 116 -4.664 -2.662 9.005 1.00 0.10 C ATOM 436 CG TYR A 116 -4.136 -3.685 9.989 1.00 0.13 C ATOM 437 CD1 TYR A 116 -2.779 -3.958 10.073 1.00 0.19 C ATOM 438 CD2 TYR A 116 -5.002 -4.394 10.811 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.297 -4.910 10.953 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.527 -5.342 11.693 1.00 0.23 C ATOM 441 CZ TYR A 116 -3.177 -5.599 11.758 1.00 0.23 C ATOM 442 OH TYR A 116 -2.707 -6.552 12.634 1.00 0.30 O ATOM 0 H TYR A 116 -5.821 -1.425 7.200 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.830 -3.377 7.159 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -3.988 -1.807 8.980 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.629 -2.295 9.354 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -2.088 -3.419 9.442 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -6.063 -4.200 10.759 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -1.237 -5.112 11.009 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -5.212 -5.881 12.330 1.00 0.23 H new ATOM 0 HH TYR A 116 -3.459 -6.942 13.127 1.00 0.30 H new ATOM 452 N ASP A 117 -6.861 -4.508 7.826 1.00 0.10 N ATOM 453 CA ASP A 117 -7.661 -5.720 7.972 1.00 0.12 C ATOM 454 C ASP A 117 -7.482 -6.637 6.775 1.00 0.12 C ATOM 455 O ASP A 117 -7.355 -7.852 6.919 1.00 0.15 O ATOM 456 CB ASP A 117 -9.140 -5.351 8.097 1.00 0.16 C ATOM 457 CG ASP A 117 -10.034 -6.568 8.224 1.00 0.27 C ATOM 458 OD1 ASP A 117 -10.183 -7.087 9.354 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.582 -7.018 7.199 1.00 0.40 O ATOM 0 H ASP A 117 -7.397 -3.642 7.884 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.326 -6.240 8.869 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.279 -4.710 8.968 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.442 -4.772 7.224 1.00 0.16 H new ATOM 464 N THR A 118 -7.446 -6.044 5.599 1.00 0.11 N ATOM 465 CA THR A 118 -7.340 -6.806 4.376 1.00 0.11 C ATOM 466 C THR A 118 -5.908 -7.307 4.142 1.00 0.10 C ATOM 467 O THR A 118 -5.684 -8.502 3.937 1.00 0.12 O ATOM 468 CB THR A 118 -7.806 -5.951 3.185 1.00 0.13 C ATOM 469 OG1 THR A 118 -9.074 -5.346 3.495 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.938 -6.795 1.928 1.00 0.17 C ATOM 0 H THR A 118 -7.489 -5.034 5.466 1.00 0.11 H new ATOM 0 HA THR A 118 -7.983 -7.681 4.469 1.00 0.11 H new ATOM 0 HB THR A 118 -7.060 -5.177 3.003 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.936 -4.589 4.102 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.269 -6.167 1.101 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.972 -7.238 1.684 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.668 -7.587 2.096 1.00 0.17 H new ATOM 478 N PHE A 119 -4.946 -6.391 4.187 1.00 0.08 N ATOM 479 CA PHE A 119 -3.552 -6.714 3.883 1.00 0.08 C ATOM 480 C PHE A 119 -2.880 -7.538 4.993 1.00 0.08 C ATOM 481 O PHE A 119 -1.964 -8.307 4.723 1.00 0.09 O ATOM 482 CB PHE A 119 -2.757 -5.444 3.549 1.00 0.08 C ATOM 483 CG PHE A 119 -3.179 -4.800 2.244 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.453 -4.276 2.102 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.307 -4.713 1.162 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.852 -3.685 0.923 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.703 -4.121 -0.019 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.978 -3.606 -0.140 1.00 0.09 C ATOM 0 H PHE A 119 -5.105 -5.414 4.432 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.555 -7.350 2.998 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.879 -4.724 4.358 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.696 -5.690 3.499 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.145 -4.332 2.929 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.308 -5.114 1.249 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.850 -3.283 0.832 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -2.015 -4.060 -0.850 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.290 -3.143 -1.064 1.00 0.09 H new ATOM 498 N SER A 120 -3.336 -7.376 6.236 1.00 0.09 N ATOM 499 CA SER A 120 -2.741 -8.076 7.385 1.00 0.09 C ATOM 500 C SER A 120 -2.771 -9.590 7.191 1.00 0.08 C ATOM 501 O SER A 120 -1.925 -10.306 7.725 1.00 0.09 O ATOM 502 CB SER A 120 -3.445 -7.696 8.698 1.00 0.13 C ATOM 503 OG SER A 120 -2.910 -8.412 9.801 1.00 0.19 O ATOM 0 H SER A 120 -4.117 -6.766 6.477 1.00 0.09 H new ATOM 0 HA SER A 120 -1.700 -7.759 7.449 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.339 -6.625 8.872 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.512 -7.901 8.613 1.00 0.13 H new ATOM 0 HG SER A 120 -2.875 -7.826 10.585 1.00 0.19 H new ATOM 509 N ALA A 121 -3.755 -10.078 6.443 1.00 0.09 N ATOM 510 CA ALA A 121 -3.858 -11.503 6.148 1.00 0.11 C ATOM 511 C ALA A 121 -2.584 -12.024 5.483 1.00 0.11 C ATOM 512 O ALA A 121 -2.263 -13.210 5.573 1.00 0.13 O ATOM 513 CB ALA A 121 -5.057 -11.765 5.247 1.00 0.14 C ATOM 0 H ALA A 121 -4.493 -9.508 6.030 1.00 0.09 H new ATOM 0 HA ALA A 121 -3.991 -12.033 7.091 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.125 -12.832 5.033 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -5.968 -11.437 5.748 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -4.938 -11.214 4.314 1.00 0.14 H new ATOM 519 N PHE A 122 -1.847 -11.124 4.842 1.00 0.08 N ATOM 520 CA PHE A 122 -0.644 -11.492 4.113 1.00 0.09 C ATOM 521 C PHE A 122 0.586 -11.450 5.012 1.00 0.10 C ATOM 522 O PHE A 122 1.618 -12.044 4.690 1.00 0.18 O ATOM 523 CB PHE A 122 -0.452 -10.558 2.921 1.00 0.09 C ATOM 524 CG PHE A 122 -1.663 -10.491 2.049 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.151 -11.626 1.428 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.294 -9.285 1.826 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.249 -11.559 0.596 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.395 -9.208 0.998 1.00 0.12 C ATOM 529 CZ PHE A 122 -3.949 -10.389 0.484 1.00 0.13 C ATOM 0 H PHE A 122 -2.066 -10.128 4.814 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.765 -12.515 3.757 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.212 -9.558 3.282 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.399 -10.897 2.331 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.667 -12.576 1.596 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.922 -8.391 2.305 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.556 -12.429 0.034 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.825 -8.249 0.749 1.00 0.12 H new ATOM 0 HZ PHE A 122 -4.917 -10.375 0.005 1.00 0.13 H new ATOM 539 N GLY A 123 0.468 -10.760 6.136 1.00 0.09 N ATOM 540 CA GLY A 123 1.574 -10.649 7.063 1.00 0.10 C ATOM 541 C GLY A 123 1.375 -9.521 8.051 1.00 0.09 C ATOM 542 O GLY A 123 0.420 -8.753 7.937 1.00 0.11 O ATOM 0 H GLY A 123 -0.380 -10.272 6.424 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.689 -11.588 7.604 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.497 -10.486 6.508 1.00 0.10 H new ATOM 546 N ASN A 124 2.272 -9.426 9.021 1.00 0.13 N ATOM 547 CA ASN A 124 2.197 -8.382 10.036 1.00 0.14 C ATOM 548 C ASN A 124 2.501 -7.022 9.420 1.00 0.11 C ATOM 549 O ASN A 124 3.430 -6.881 8.629 1.00 0.14 O ATOM 550 CB ASN A 124 3.179 -8.692 11.173 1.00 0.18 C ATOM 551 CG ASN A 124 3.187 -7.636 12.264 1.00 0.21 C ATOM 552 OD1 ASN A 124 2.178 -6.981 12.532 1.00 0.24 O ATOM 553 ND2 ASN A 124 4.328 -7.477 12.915 1.00 0.25 N ATOM 0 H ASN A 124 3.063 -10.061 9.128 1.00 0.13 H new ATOM 0 HA ASN A 124 1.186 -8.353 10.443 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.923 -9.656 11.612 1.00 0.18 H new ATOM 0 HB3 ASN A 124 4.184 -8.786 10.761 1.00 0.18 H new ATOM 0 HD21 ASN A 124 4.394 -6.793 13.669 1.00 0.25 H new ATOM 0 HD22 ASN A 124 5.141 -8.039 12.663 1.00 0.25 H new ATOM 560 N ILE A 125 1.700 -6.031 9.769 1.00 0.11 N ATOM 561 CA ILE A 125 1.857 -4.692 9.224 1.00 0.10 C ATOM 562 C ILE A 125 2.346 -3.728 10.301 1.00 0.11 C ATOM 563 O ILE A 125 1.710 -3.586 11.347 1.00 0.14 O ATOM 564 CB ILE A 125 0.523 -4.184 8.638 1.00 0.11 C ATOM 565 CG1 ILE A 125 0.057 -5.102 7.503 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.658 -2.753 8.143 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.271 -4.696 6.900 1.00 0.11 C ATOM 0 H ILE A 125 0.930 -6.128 10.431 1.00 0.11 H new ATOM 0 HA ILE A 125 2.599 -4.738 8.427 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.226 -4.199 9.430 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.815 -5.110 6.719 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.022 -6.121 7.881 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.295 -2.418 7.735 1.00 0.14 H new ATOM 0 HG22 ILE A 125 0.945 -2.107 8.972 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.422 -2.707 7.366 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.537 -5.391 6.103 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.042 -4.716 7.671 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.192 -3.689 6.491 1.00 0.11 H new ATOM 579 N LEU A 126 3.465 -3.055 10.041 1.00 0.13 N ATOM 580 CA LEU A 126 4.060 -2.163 11.030 1.00 0.15 C ATOM 581 C LEU A 126 3.310 -0.844 11.012 1.00 0.16 C ATOM 582 O LEU A 126 3.100 -0.209 12.043 1.00 0.24 O ATOM 583 CB LEU A 126 5.554 -1.888 10.750 1.00 0.19 C ATOM 584 CG LEU A 126 6.487 -3.101 10.555 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.893 -4.386 11.108 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.860 -3.245 9.088 1.00 0.54 C ATOM 0 H LEU A 126 3.974 -3.111 9.159 1.00 0.13 H new ATOM 0 HA LEU A 126 3.987 -2.650 12.003 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.618 -1.269 9.855 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.945 -1.294 11.576 1.00 0.19 H new ATOM 0 HG LEU A 126 7.395 -2.915 11.129 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.590 -5.208 10.945 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.710 -4.272 12.176 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.953 -4.601 10.600 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.519 -4.104 8.963 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.957 -3.391 8.496 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.372 -2.343 8.753 1.00 0.54 H new ATOM 598 N SER A 127 2.905 -0.451 9.816 1.00 0.14 N ATOM 599 CA SER A 127 2.183 0.787 9.601 1.00 0.17 C ATOM 600 C SER A 127 1.345 0.679 8.334 1.00 0.19 C ATOM 601 O SER A 127 1.769 0.073 7.355 1.00 0.37 O ATOM 602 CB SER A 127 3.163 1.956 9.494 1.00 0.19 C ATOM 603 OG SER A 127 3.831 2.177 10.725 1.00 0.76 O ATOM 0 H SER A 127 3.070 -0.986 8.964 1.00 0.14 H new ATOM 0 HA SER A 127 1.521 0.968 10.448 1.00 0.17 H new ATOM 0 HB2 SER A 127 3.894 1.751 8.712 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.627 2.858 9.201 1.00 0.19 H new ATOM 0 HG SER A 127 3.561 1.492 11.371 1.00 0.76 H new ATOM 609 N CYS A 128 0.152 1.238 8.367 1.00 0.18 N ATOM 610 CA CYS A 128 -0.740 1.209 7.220 1.00 0.17 C ATOM 611 C CYS A 128 -1.508 2.517 7.132 1.00 0.16 C ATOM 612 O CYS A 128 -1.998 3.022 8.143 1.00 0.28 O ATOM 613 CB CYS A 128 -1.695 0.020 7.326 1.00 0.21 C ATOM 614 SG CYS A 128 -2.279 -0.295 9.009 1.00 0.72 S ATOM 0 H CYS A 128 -0.226 1.722 9.181 1.00 0.18 H new ATOM 0 HA CYS A 128 -0.153 1.092 6.309 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.555 0.197 6.680 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.193 -0.872 6.952 1.00 0.21 H new ATOM 0 HG CYS A 128 -2.494 0.836 9.613 1.00 0.72 H new ATOM 620 N LYS A 129 -1.603 3.068 5.935 1.00 0.13 N ATOM 621 CA LYS A 129 -2.167 4.395 5.769 1.00 0.14 C ATOM 622 C LYS A 129 -3.039 4.490 4.522 1.00 0.12 C ATOM 623 O LYS A 129 -2.660 4.038 3.449 1.00 0.12 O ATOM 624 CB LYS A 129 -1.028 5.423 5.703 1.00 0.18 C ATOM 625 CG LYS A 129 -1.465 6.847 5.389 1.00 0.23 C ATOM 626 CD LYS A 129 -2.369 7.424 6.467 1.00 0.36 C ATOM 627 CE LYS A 129 -2.679 8.893 6.193 1.00 0.47 C ATOM 628 NZ LYS A 129 -1.497 9.768 6.426 1.00 1.00 N ATOM 0 H LYS A 129 -1.299 2.621 5.070 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.808 4.605 6.626 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.502 5.422 6.658 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.313 5.103 4.945 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.584 7.479 5.280 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -1.988 6.862 4.433 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -3.298 6.855 6.511 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -1.889 7.326 7.440 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -3.015 9.006 5.162 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -3.500 9.215 6.833 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -1.788 10.765 6.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -1.098 9.569 7.366 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -0.778 9.582 5.698 1.00 1.00 H new ATOM 642 N VAL A 130 -4.213 5.075 4.695 1.00 0.15 N ATOM 643 CA VAL A 130 -5.084 5.445 3.600 1.00 0.17 C ATOM 644 C VAL A 130 -5.161 6.947 3.597 1.00 0.20 C ATOM 645 O VAL A 130 -5.601 7.554 4.575 1.00 0.24 O ATOM 646 CB VAL A 130 -6.522 4.892 3.728 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.372 5.349 2.541 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.527 3.376 3.832 1.00 0.21 C ATOM 0 H VAL A 130 -4.590 5.308 5.614 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.669 5.024 2.684 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.954 5.289 4.647 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.382 4.953 2.643 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.410 6.438 2.518 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.930 4.982 1.615 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.554 3.021 3.921 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -6.071 2.949 2.939 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.960 3.070 4.711 1.00 0.21 H new ATOM 658 N VAL A 131 -4.704 7.548 2.535 1.00 0.21 N ATOM 659 CA VAL A 131 -4.659 8.983 2.463 1.00 0.27 C ATOM 660 C VAL A 131 -5.998 9.490 1.959 1.00 0.33 C ATOM 661 O VAL A 131 -6.406 9.198 0.835 1.00 0.33 O ATOM 662 CB VAL A 131 -3.494 9.411 1.565 1.00 0.28 C ATOM 663 CG1 VAL A 131 -3.168 10.880 1.761 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.288 8.541 1.883 1.00 0.25 C ATOM 0 H VAL A 131 -4.357 7.067 1.705 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.486 9.419 3.447 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.774 9.279 0.520 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.338 11.158 1.112 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -4.041 11.483 1.512 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.891 11.056 2.800 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.450 8.835 1.250 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -2.014 8.668 2.930 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.534 7.496 1.697 1.00 0.25 H new ATOM 766 N GLY A 139 -7.500 8.202 -2.866 1.00 0.27 N ATOM 767 CA GLY A 139 -7.400 7.102 -3.800 1.00 0.26 C ATOM 768 C GLY A 139 -6.252 6.160 -3.511 1.00 0.21 C ATOM 769 O GLY A 139 -6.272 5.012 -3.934 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.333 6.539 -3.785 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.285 7.502 -4.807 1.00 0.26 H new ATOM 773 N TYR A 140 -5.254 6.624 -2.787 1.00 0.19 N ATOM 774 CA TYR A 140 -4.051 5.833 -2.602 1.00 0.15 C ATOM 775 C TYR A 140 -3.750 5.578 -1.130 1.00 0.13 C ATOM 776 O TYR A 140 -4.127 6.361 -0.254 1.00 0.16 O ATOM 777 CB TYR A 140 -2.861 6.501 -3.294 1.00 0.19 C ATOM 778 CG TYR A 140 -2.685 7.967 -2.963 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.404 8.946 -3.635 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.806 8.366 -1.964 1.00 0.31 C ATOM 781 CE1 TYR A 140 -3.248 10.283 -3.324 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.647 9.699 -1.647 1.00 0.39 C ATOM 783 CZ TYR A 140 -2.353 10.663 -2.379 1.00 0.41 C ATOM 784 OH TYR A 140 -2.211 11.983 -2.013 1.00 0.49 O ATOM 0 H TYR A 140 -5.249 7.532 -2.322 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.226 4.861 -3.063 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -1.951 5.968 -3.019 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -2.979 6.397 -4.373 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.096 8.658 -4.413 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -1.238 7.621 -1.427 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.841 11.027 -3.835 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.987 9.996 -0.845 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.522 12.058 -1.321 1.00 0.49 H new ATOM 794 N GLY A 141 -3.077 4.466 -0.881 1.00 0.11 N ATOM 795 CA GLY A 141 -2.710 4.079 0.465 1.00 0.11 C ATOM 796 C GLY A 141 -1.360 3.392 0.495 1.00 0.10 C ATOM 797 O GLY A 141 -0.771 3.146 -0.556 1.00 0.12 O ATOM 0 H GLY A 141 -2.773 3.813 -1.603 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.685 4.961 1.105 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.469 3.411 0.873 1.00 0.11 H new ATOM 801 N PHE A 142 -0.869 3.076 1.687 1.00 0.10 N ATOM 802 CA PHE A 142 0.455 2.478 1.836 1.00 0.10 C ATOM 803 C PHE A 142 0.452 1.396 2.915 1.00 0.10 C ATOM 804 O PHE A 142 -0.225 1.536 3.938 1.00 0.14 O ATOM 805 CB PHE A 142 1.486 3.549 2.214 1.00 0.12 C ATOM 806 CG PHE A 142 1.509 4.752 1.306 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.044 4.673 0.024 1.00 0.16 C ATOM 808 CD2 PHE A 142 0.985 5.960 1.732 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.048 5.777 -0.806 1.00 0.19 C ATOM 810 CE2 PHE A 142 0.987 7.066 0.903 1.00 0.25 C ATOM 811 CZ PHE A 142 1.582 6.969 -0.372 1.00 0.22 C ATOM 0 H PHE A 142 -1.366 3.223 2.565 1.00 0.10 H new ATOM 0 HA PHE A 142 0.721 2.028 0.879 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.285 3.883 3.232 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.477 3.095 2.217 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.460 3.740 -0.325 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.569 6.040 2.725 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.428 5.687 -1.813 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.538 7.993 1.228 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.665 7.844 -0.999 1.00 0.22 H new ATOM 821 N VAL A 143 1.197 0.315 2.682 1.00 0.08 N ATOM 822 CA VAL A 143 1.403 -0.710 3.704 1.00 0.08 C ATOM 823 C VAL A 143 2.879 -0.851 4.040 1.00 0.08 C ATOM 824 O VAL A 143 3.734 -0.858 3.153 1.00 0.09 O ATOM 825 CB VAL A 143 0.894 -2.104 3.267 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.009 -3.119 4.405 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.534 -2.028 2.773 1.00 0.10 C ATOM 0 H VAL A 143 1.667 0.127 1.796 1.00 0.08 H new ATOM 0 HA VAL A 143 0.832 -0.376 4.571 1.00 0.08 H new ATOM 0 HB VAL A 143 1.527 -2.441 2.446 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.643 -4.088 4.066 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.052 -3.210 4.707 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.413 -2.783 5.254 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.868 -3.021 2.472 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.176 -1.656 3.571 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.588 -1.352 1.919 1.00 0.10 H new ATOM 837 N HIS A 144 3.170 -0.934 5.323 1.00 0.09 N ATOM 838 CA HIS A 144 4.475 -1.358 5.784 1.00 0.10 C ATOM 839 C HIS A 144 4.377 -2.778 6.303 1.00 0.10 C ATOM 840 O HIS A 144 3.826 -3.007 7.379 1.00 0.11 O ATOM 841 CB HIS A 144 4.976 -0.446 6.901 1.00 0.12 C ATOM 842 CG HIS A 144 5.882 0.634 6.425 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.042 1.164 5.197 1.00 0.18 N flip ATOM 844 CD2 HIS A 144 6.785 1.275 7.241 1.00 0.17 C flip ATOM 845 CE1 HIS A 144 7.029 2.113 5.290 1.00 0.21 C flip ATOM 846 NE2 HIS A 144 7.464 2.153 6.535 1.00 0.21 N flip ATOM 0 H HIS A 144 2.513 -0.711 6.070 1.00 0.09 H new ATOM 0 HA HIS A 144 5.177 -1.306 4.952 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.120 0.004 7.403 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.500 -1.048 7.643 1.00 0.12 H new ATOM 0 HD2 HIS A 144 6.916 1.087 8.296 1.00 0.17 H new ATOM 0 HE1 HIS A 144 7.390 2.726 4.478 1.00 0.21 H new ATOM 0 HE2 HIS A 144 8.202 2.762 6.890 1.00 0.21 H new ATOM 855 N PHE A 145 4.893 -3.725 5.552 1.00 0.10 N ATOM 856 CA PHE A 145 4.865 -5.108 5.979 1.00 0.10 C ATOM 857 C PHE A 145 6.099 -5.453 6.774 1.00 0.13 C ATOM 858 O PHE A 145 7.206 -5.047 6.432 1.00 0.17 O ATOM 859 CB PHE A 145 4.727 -6.059 4.794 1.00 0.10 C ATOM 860 CG PHE A 145 3.306 -6.334 4.412 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.510 -7.140 5.210 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.766 -5.798 3.260 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.203 -7.405 4.863 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.458 -6.061 2.908 1.00 0.10 C ATOM 865 CZ PHE A 145 0.676 -6.866 3.710 1.00 0.10 C ATOM 0 H PHE A 145 5.335 -3.565 4.647 1.00 0.10 H new ATOM 0 HA PHE A 145 3.989 -5.229 6.617 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.250 -5.636 3.936 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.219 -7.001 5.035 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.919 -7.566 6.115 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.373 -5.167 2.628 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.593 -8.034 5.494 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.046 -5.636 2.004 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.347 -7.073 3.434 1.00 0.10 H new ATOM 875 N GLU A 146 5.869 -6.186 7.849 1.00 0.13 N ATOM 876 CA GLU A 146 6.932 -6.657 8.743 1.00 0.17 C ATOM 877 C GLU A 146 8.095 -7.230 7.952 1.00 0.19 C ATOM 878 O GLU A 146 9.263 -6.964 8.244 1.00 0.22 O ATOM 879 CB GLU A 146 6.380 -7.730 9.681 1.00 0.22 C ATOM 880 CG GLU A 146 7.414 -8.317 10.626 1.00 0.30 C ATOM 881 CD GLU A 146 6.857 -9.459 11.446 1.00 0.37 C ATOM 882 OE1 GLU A 146 6.834 -10.603 10.941 1.00 0.57 O ATOM 883 OE2 GLU A 146 6.430 -9.219 12.592 1.00 0.38 O ATOM 0 H GLU A 146 4.934 -6.478 8.135 1.00 0.13 H new ATOM 0 HA GLU A 146 7.291 -5.807 9.323 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.568 -7.301 10.268 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.951 -8.534 9.083 1.00 0.22 H new ATOM 0 HG2 GLU A 146 8.270 -8.669 10.051 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.778 -7.536 11.294 1.00 0.30 H new ATOM 890 N THR A 147 7.761 -8.015 6.953 1.00 0.22 N ATOM 891 CA THR A 147 8.762 -8.632 6.109 1.00 0.26 C ATOM 892 C THR A 147 8.627 -8.133 4.677 1.00 0.23 C ATOM 893 O THR A 147 7.544 -7.730 4.244 1.00 0.21 O ATOM 894 CB THR A 147 8.649 -10.170 6.129 1.00 0.33 C ATOM 895 OG1 THR A 147 7.391 -10.583 5.582 1.00 0.40 O ATOM 896 CG2 THR A 147 8.782 -10.706 7.544 1.00 0.35 C ATOM 0 H THR A 147 6.799 -8.243 6.703 1.00 0.22 H new ATOM 0 HA THR A 147 9.739 -8.354 6.503 1.00 0.26 H new ATOM 0 HB THR A 147 9.460 -10.573 5.522 1.00 0.33 H new ATOM 0 HG1 THR A 147 7.332 -11.561 5.599 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.699 -11.793 7.531 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.752 -10.421 7.951 1.00 0.35 H new ATOM 0 HG23 THR A 147 7.991 -10.289 8.167 1.00 0.35 H new ATOM 904 N GLN A 148 9.732 -8.157 3.949 1.00 0.24 N ATOM 905 CA GLN A 148 9.742 -7.742 2.558 1.00 0.23 C ATOM 906 C GLN A 148 8.877 -8.683 1.717 1.00 0.21 C ATOM 907 O GLN A 148 8.190 -8.248 0.791 1.00 0.21 O ATOM 908 CB GLN A 148 11.184 -7.730 2.036 1.00 0.28 C ATOM 909 CG GLN A 148 11.342 -7.126 0.653 1.00 0.31 C ATOM 910 CD GLN A 148 10.936 -5.667 0.603 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.746 -4.773 0.847 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.679 -5.417 0.293 1.00 0.38 N ATOM 0 H GLN A 148 10.639 -8.462 4.303 1.00 0.24 H new ATOM 0 HA GLN A 148 9.328 -6.737 2.481 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.807 -7.173 2.736 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.560 -8.753 2.018 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.380 -7.221 0.336 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.739 -7.691 -0.057 1.00 0.31 H new ATOM 0 HE21 GLN A 148 9.039 -6.187 0.098 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.347 -4.454 0.249 1.00 0.38 H new ATOM 921 N GLU A 149 8.912 -9.968 2.057 1.00 0.22 N ATOM 922 CA GLU A 149 8.165 -10.984 1.320 1.00 0.22 C ATOM 923 C GLU A 149 6.650 -10.867 1.540 1.00 0.18 C ATOM 924 O GLU A 149 5.871 -11.129 0.626 1.00 0.17 O ATOM 925 CB GLU A 149 8.672 -12.387 1.656 1.00 0.28 C ATOM 926 CG GLU A 149 8.418 -12.800 3.081 1.00 0.35 C ATOM 927 CD GLU A 149 8.880 -14.210 3.373 1.00 0.47 C ATOM 928 OE1 GLU A 149 8.179 -15.166 2.978 1.00 0.74 O ATOM 929 OE2 GLU A 149 9.941 -14.375 4.006 1.00 0.62 O ATOM 0 H GLU A 149 9.452 -10.332 2.842 1.00 0.22 H new ATOM 0 HA GLU A 149 8.341 -10.806 0.259 1.00 0.22 H new ATOM 0 HB2 GLU A 149 8.195 -13.105 0.989 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.743 -12.433 1.460 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.929 -12.109 3.751 1.00 0.35 H new ATOM 0 HG3 GLU A 149 7.352 -12.720 3.293 1.00 0.35 H new ATOM 936 N ALA A 150 6.230 -10.467 2.744 1.00 0.17 N ATOM 937 CA ALA A 150 4.805 -10.268 3.030 1.00 0.15 C ATOM 938 C ALA A 150 4.223 -9.197 2.120 1.00 0.13 C ATOM 939 O ALA A 150 3.076 -9.291 1.684 1.00 0.13 O ATOM 940 CB ALA A 150 4.597 -9.890 4.487 1.00 0.18 C ATOM 0 H ALA A 150 6.850 -10.276 3.531 1.00 0.17 H new ATOM 0 HA ALA A 150 4.286 -11.207 2.840 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.533 -9.747 4.678 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.977 -10.686 5.127 1.00 0.18 H new ATOM 0 HB3 ALA A 150 5.132 -8.965 4.703 1.00 0.18 H new ATOM 946 N ALA A 151 5.031 -8.189 1.828 1.00 0.13 N ATOM 947 CA ALA A 151 4.635 -7.131 0.915 1.00 0.13 C ATOM 948 C ALA A 151 4.411 -7.688 -0.479 1.00 0.12 C ATOM 949 O ALA A 151 3.442 -7.338 -1.150 1.00 0.13 O ATOM 950 CB ALA A 151 5.696 -6.050 0.889 1.00 0.16 C ATOM 0 H ALA A 151 5.969 -8.083 2.213 1.00 0.13 H new ATOM 0 HA ALA A 151 3.698 -6.697 1.264 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.393 -5.259 0.202 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.817 -5.635 1.890 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.642 -6.477 0.556 1.00 0.16 H new ATOM 956 N GLU A 152 5.307 -8.569 -0.901 1.00 0.13 N ATOM 957 CA GLU A 152 5.193 -9.216 -2.198 1.00 0.14 C ATOM 958 C GLU A 152 3.889 -10.003 -2.288 1.00 0.12 C ATOM 959 O GLU A 152 3.225 -9.984 -3.321 1.00 0.15 O ATOM 960 CB GLU A 152 6.382 -10.140 -2.440 1.00 0.18 C ATOM 961 CG GLU A 152 7.725 -9.450 -2.283 1.00 0.26 C ATOM 962 CD GLU A 152 8.881 -10.328 -2.708 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.337 -11.160 -1.898 1.00 1.42 O ATOM 964 OE2 GLU A 152 9.343 -10.187 -3.858 1.00 0.95 O ATOM 0 H GLU A 152 6.124 -8.852 -0.360 1.00 0.13 H new ATOM 0 HA GLU A 152 5.189 -8.444 -2.967 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.329 -10.978 -1.744 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.311 -10.555 -3.445 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.731 -8.535 -2.875 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.860 -9.157 -1.242 1.00 0.26 H new ATOM 971 N ARG A 153 3.531 -10.679 -1.197 1.00 0.10 N ATOM 972 CA ARG A 153 2.285 -11.440 -1.127 1.00 0.12 C ATOM 973 C ARG A 153 1.079 -10.529 -1.340 1.00 0.11 C ATOM 974 O ARG A 153 0.123 -10.890 -2.030 1.00 0.16 O ATOM 975 CB ARG A 153 2.138 -12.126 0.228 1.00 0.16 C ATOM 976 CG ARG A 153 3.285 -13.044 0.609 1.00 0.21 C ATOM 977 CD ARG A 153 3.065 -13.634 1.994 1.00 0.26 C ATOM 978 NE ARG A 153 4.272 -14.265 2.524 1.00 0.38 N ATOM 979 CZ ARG A 153 4.683 -14.146 3.789 1.00 0.80 C ATOM 980 NH1 ARG A 153 3.991 -13.412 4.655 1.00 1.48 N ATOM 981 NH2 ARG A 153 5.793 -14.747 4.189 1.00 0.84 N ATOM 0 H ARG A 153 4.090 -10.715 -0.345 1.00 0.10 H new ATOM 0 HA ARG A 153 2.323 -12.192 -1.915 1.00 0.12 H new ATOM 0 HB2 ARG A 153 2.034 -11.360 0.997 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.214 -12.704 0.227 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.374 -13.846 -0.123 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.223 -12.489 0.589 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.740 -12.847 2.675 1.00 0.26 H new ATOM 0 HD3 ARG A 153 2.262 -14.370 1.950 1.00 0.26 H new ATOM 0 HE ARG A 153 4.835 -14.831 1.889 1.00 0.38 H new ATOM 0 HH11 ARG A 153 3.141 -12.936 4.355 1.00 1.48 H new ATOM 0 HH12 ARG A 153 4.310 -13.325 5.620 1.00 1.48 H new ATOM 0 HH21 ARG A 153 6.338 -15.303 3.530 1.00 0.84 H new ATOM 0 HH22 ARG A 153 6.103 -14.654 5.156 1.00 0.84 H new ATOM 995 N ALA A 154 1.122 -9.352 -0.726 1.00 0.09 N ATOM 996 CA ALA A 154 0.039 -8.388 -0.855 1.00 0.09 C ATOM 997 C ALA A 154 -0.039 -7.854 -2.278 1.00 0.09 C ATOM 998 O ALA A 154 -1.127 -7.671 -2.819 1.00 0.10 O ATOM 999 CB ALA A 154 0.218 -7.248 0.134 1.00 0.10 C ATOM 0 H ALA A 154 1.894 -9.044 -0.135 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.899 -8.896 -0.629 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.601 -6.538 0.022 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.219 -7.644 1.149 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.165 -6.744 -0.060 1.00 0.10 H new ATOM 1005 N ILE A 155 1.120 -7.620 -2.878 1.00 0.09 N ATOM 1006 CA ILE A 155 1.191 -7.132 -4.249 1.00 0.10 C ATOM 1007 C ILE A 155 0.505 -8.097 -5.211 1.00 0.11 C ATOM 1008 O ILE A 155 -0.391 -7.704 -5.950 1.00 0.14 O ATOM 1009 CB ILE A 155 2.656 -6.906 -4.689 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.284 -5.783 -3.861 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.730 -6.582 -6.176 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.758 -5.578 -4.129 1.00 0.15 C ATOM 0 H ILE A 155 2.028 -7.761 -2.435 1.00 0.09 H new ATOM 0 HA ILE A 155 0.668 -6.176 -4.279 1.00 0.10 H new ATOM 0 HB ILE A 155 3.217 -7.825 -4.517 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.754 -4.853 -4.066 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.144 -6.003 -2.803 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.770 -6.427 -6.463 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.315 -7.410 -6.750 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.158 -5.677 -6.380 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.132 -4.766 -3.505 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.301 -6.494 -3.896 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.905 -5.326 -5.179 1.00 0.15 H new ATOM 1024 N GLU A 156 0.903 -9.365 -5.172 1.00 0.11 N ATOM 1025 CA GLU A 156 0.329 -10.368 -6.064 1.00 0.13 C ATOM 1026 C GLU A 156 -1.168 -10.515 -5.858 1.00 0.12 C ATOM 1027 O GLU A 156 -1.938 -10.548 -6.817 1.00 0.15 O ATOM 1028 CB GLU A 156 0.995 -11.744 -5.902 1.00 0.17 C ATOM 1029 CG GLU A 156 1.504 -12.059 -4.503 1.00 0.21 C ATOM 1030 CD GLU A 156 1.909 -13.507 -4.345 1.00 0.62 C ATOM 1031 OE1 GLU A 156 2.985 -13.889 -4.852 1.00 0.63 O ATOM 1032 OE2 GLU A 156 1.164 -14.270 -3.702 1.00 1.08 O ATOM 0 H GLU A 156 1.617 -9.721 -4.536 1.00 0.11 H new ATOM 0 HA GLU A 156 0.518 -10.006 -7.075 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.278 -12.513 -6.192 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.831 -11.809 -6.598 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.358 -11.420 -4.278 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.728 -11.821 -3.776 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.568 -10.582 -4.606 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.926 -10.944 -4.270 1.00 0.10 C ATOM 1041 C LYS A 157 -3.903 -9.775 -4.393 1.00 0.08 C ATOM 1042 O LYS A 157 -5.025 -9.950 -4.864 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.966 -11.509 -2.851 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.755 -12.806 -2.753 1.00 0.17 C ATOM 1045 CD LYS A 157 -5.200 -12.626 -3.200 1.00 0.21 C ATOM 1046 CE LYS A 157 -6.141 -12.292 -2.045 1.00 0.29 C ATOM 1047 NZ LYS A 157 -6.281 -13.424 -1.093 1.00 1.16 N ATOM 0 H LYS A 157 -0.969 -10.390 -3.803 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.246 -11.698 -4.989 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.947 -11.682 -2.505 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.408 -10.769 -2.183 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.277 -13.569 -3.367 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.735 -13.166 -1.724 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.249 -11.831 -3.944 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.541 -13.539 -3.687 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.766 -11.417 -1.514 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -7.122 -12.029 -2.441 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -7.151 -13.303 -0.536 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -6.330 -14.318 -1.622 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.460 -13.444 -0.454 1.00 1.16 H new ATOM 1061 N MET A 158 -3.478 -8.588 -3.998 1.00 0.07 N ATOM 1062 CA MET A 158 -4.394 -7.452 -3.913 1.00 0.08 C ATOM 1063 C MET A 158 -4.372 -6.588 -5.161 1.00 0.09 C ATOM 1064 O MET A 158 -5.289 -5.797 -5.378 1.00 0.13 O ATOM 1065 CB MET A 158 -4.085 -6.591 -2.689 1.00 0.09 C ATOM 1066 CG MET A 158 -4.358 -7.295 -1.376 1.00 0.10 C ATOM 1067 SD MET A 158 -6.079 -7.809 -1.215 1.00 0.35 S ATOM 1068 CE MET A 158 -6.903 -6.225 -1.342 1.00 0.18 C ATOM 0 H MET A 158 -2.515 -8.381 -3.732 1.00 0.07 H new ATOM 0 HA MET A 158 -5.395 -7.874 -3.819 1.00 0.08 H new ATOM 0 HB2 MET A 158 -3.038 -6.290 -2.721 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.681 -5.679 -2.735 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.712 -8.169 -1.294 1.00 0.10 H new ATOM 0 HG3 MET A 158 -4.102 -6.631 -0.551 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.960 -6.344 -1.103 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.450 -5.522 -0.643 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.802 -5.843 -2.358 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.339 -6.711 -5.977 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.289 -5.925 -7.198 1.00 0.10 C ATOM 1080 C ASN A 159 -4.343 -6.440 -8.168 1.00 0.13 C ATOM 1081 O ASN A 159 -4.323 -7.609 -8.554 1.00 0.16 O ATOM 1082 CB ASN A 159 -1.902 -6.006 -7.836 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.769 -5.122 -9.065 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.477 -4.125 -9.202 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.844 -5.462 -9.954 1.00 0.38 N ATOM 0 H ASN A 159 -2.543 -7.330 -5.823 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.491 -4.881 -6.958 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.151 -5.715 -7.101 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.694 -7.040 -8.113 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.701 -4.889 -10.786 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.276 -6.296 -9.806 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.245 -5.565 -8.579 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.337 -5.979 -9.438 1.00 0.19 C ATOM 1094 C GLY A 160 -7.487 -6.584 -8.652 1.00 0.22 C ATOM 1095 O GLY A 160 -8.269 -7.370 -9.187 1.00 0.29 O ATOM 0 H GLY A 160 -5.243 -4.575 -8.334 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.698 -5.120 -10.004 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -5.971 -6.707 -10.162 1.00 0.19 H new ATOM 1099 N MET A 161 -7.581 -6.230 -7.376 1.00 0.22 N ATOM 1100 CA MET A 161 -8.667 -6.693 -6.522 1.00 0.27 C ATOM 1101 C MET A 161 -9.697 -5.595 -6.328 1.00 0.24 C ATOM 1102 O MET A 161 -9.391 -4.417 -6.490 1.00 0.23 O ATOM 1103 CB MET A 161 -8.113 -7.132 -5.169 1.00 0.32 C ATOM 1104 CG MET A 161 -8.327 -8.599 -4.861 1.00 0.68 C ATOM 1105 SD MET A 161 -7.797 -9.690 -6.197 1.00 1.18 S ATOM 1106 CE MET A 161 -9.374 -10.270 -6.826 1.00 1.04 C ATOM 0 H MET A 161 -6.912 -5.619 -6.907 1.00 0.22 H new ATOM 0 HA MET A 161 -9.151 -7.542 -7.004 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.045 -6.917 -5.139 1.00 0.32 H new ATOM 0 HB3 MET A 161 -8.580 -6.535 -4.386 1.00 0.32 H new ATOM 0 HG2 MET A 161 -7.782 -8.856 -3.953 1.00 0.68 H new ATOM 0 HG3 MET A 161 -9.384 -8.771 -4.658 1.00 0.68 H new ATOM 0 HE1 MET A 161 -9.315 -10.382 -7.909 1.00 1.04 H new ATOM 0 HE2 MET A 161 -9.614 -11.232 -6.374 1.00 1.04 H new ATOM 0 HE3 MET A 161 -10.152 -9.548 -6.578 1.00 1.04 H new ATOM 1116 N LEU A 162 -10.908 -5.982 -5.961 1.00 0.26 N ATOM 1117 CA LEU A 162 -11.990 -5.029 -5.781 1.00 0.26 C ATOM 1118 C LEU A 162 -12.214 -4.770 -4.314 1.00 0.28 C ATOM 1119 O LEU A 162 -12.873 -5.554 -3.627 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.304 -5.524 -6.388 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.431 -5.412 -7.905 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -14.816 -5.847 -8.328 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.178 -3.988 -8.360 1.00 0.34 C ATOM 0 H LEU A 162 -11.166 -6.952 -5.782 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.692 -4.115 -6.294 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.438 -6.569 -6.109 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.123 -4.966 -5.934 1.00 0.31 H new ATOM 0 HG LEU A 162 -12.686 -6.059 -8.368 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -14.907 -5.767 -9.411 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -14.981 -6.881 -8.025 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.559 -5.207 -7.853 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.273 -3.930 -9.444 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -13.906 -3.323 -7.896 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.172 -3.686 -8.068 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.660 -3.691 -3.822 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.907 -3.314 -2.460 1.00 0.33 C ATOM 1137 C LEU A 163 -13.182 -2.496 -2.388 1.00 0.45 C ATOM 1138 O LEU A 163 -13.227 -1.357 -2.858 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.723 -2.557 -1.865 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.603 -3.450 -1.336 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.439 -2.614 -0.835 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.132 -4.346 -0.225 1.00 0.34 C ATOM 0 H LEU A 163 -11.042 -3.066 -4.340 1.00 0.25 H new ATOM 0 HA LEU A 163 -12.032 -4.217 -1.862 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.313 -1.893 -2.626 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -11.083 -1.926 -1.052 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.243 -4.076 -2.153 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.653 -3.271 -0.463 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.048 -2.007 -1.652 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.779 -1.963 -0.030 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.326 -4.979 0.146 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.513 -3.730 0.589 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -10.936 -4.972 -0.614 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.223 -3.118 -1.841 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.557 -2.524 -1.745 1.00 0.42 C ATOM 1156 C ASN A 164 -16.260 -2.508 -3.091 1.00 0.45 C ATOM 1157 O ASN A 164 -17.300 -3.145 -3.272 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.509 -1.124 -1.120 1.00 0.49 C ATOM 1159 CG ASN A 164 -15.241 -1.181 0.370 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -15.436 -2.218 1.008 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -14.839 -0.064 0.947 1.00 1.07 N ATOM 0 H ASN A 164 -14.166 -4.057 -1.448 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.144 -3.157 -1.079 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.731 -0.535 -1.607 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.455 -0.613 -1.300 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.679 -0.039 1.954 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.688 0.774 0.386 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.673 -1.803 -4.027 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.202 -1.699 -5.382 1.00 0.44 C ATOM 1170 C ASP A 165 -15.211 -0.974 -6.294 1.00 0.43 C ATOM 1171 O ASP A 165 -15.584 -0.406 -7.318 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.554 -0.974 -5.386 1.00 0.55 C ATOM 1173 CG ASP A 165 -18.269 -1.073 -6.721 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.559 -2.204 -7.171 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -18.537 -0.017 -7.334 1.00 0.85 O ATOM 0 H ASP A 165 -14.810 -1.279 -3.878 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.351 -2.709 -5.763 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.189 -1.395 -4.606 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -17.399 0.076 -5.139 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.938 -1.027 -5.939 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.907 -0.349 -6.705 1.00 0.27 C ATOM 1182 C ARG A 166 -11.691 -1.240 -6.841 1.00 0.24 C ATOM 1183 O ARG A 166 -11.205 -1.795 -5.856 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.515 0.978 -6.052 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.581 2.052 -6.167 1.00 0.27 C ATOM 1186 CD ARG A 166 -13.057 3.400 -5.716 1.00 0.27 C ATOM 1187 NE ARG A 166 -14.100 4.424 -5.740 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.982 5.625 -5.175 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.878 5.948 -4.516 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.975 6.500 -5.261 1.00 0.70 N ATOM 0 H ARG A 166 -13.594 -1.534 -5.123 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.308 -0.133 -7.695 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.299 0.804 -4.998 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.595 1.341 -6.510 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -13.922 2.119 -7.200 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.445 1.775 -5.563 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.655 3.314 -4.706 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.234 3.705 -6.362 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.973 4.205 -6.220 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -12.114 5.276 -4.440 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.792 6.869 -4.085 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.830 6.254 -5.760 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.884 7.419 -4.828 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.223 -1.391 -8.066 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.080 -2.235 -8.344 1.00 0.20 C ATOM 1206 C LYS A 167 -8.806 -1.485 -8.004 1.00 0.17 C ATOM 1207 O LYS A 167 -8.522 -0.438 -8.584 1.00 0.22 O ATOM 1208 CB LYS A 167 -10.091 -2.665 -9.811 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.716 -4.122 -10.018 1.00 0.40 C ATOM 1210 CD LYS A 167 -10.168 -4.623 -11.379 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.137 -6.140 -11.447 1.00 0.53 C ATOM 1212 NZ LYS A 167 -10.689 -6.652 -12.726 1.00 1.00 N ATOM 0 H LYS A 167 -11.621 -0.936 -8.888 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.129 -3.134 -7.730 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -11.084 -2.491 -10.225 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.398 -2.037 -10.371 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.636 -4.238 -9.926 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -10.169 -4.731 -9.236 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -11.178 -4.268 -11.582 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -9.523 -4.209 -12.154 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -9.110 -6.487 -11.331 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -10.709 -6.552 -10.615 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -10.649 -7.691 -12.730 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.677 -6.343 -12.826 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -10.128 -6.281 -13.519 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.045 -2.020 -7.068 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.874 -1.323 -6.568 1.00 0.12 C ATOM 1228 C VAL A 168 -5.595 -1.883 -7.158 1.00 0.11 C ATOM 1229 O VAL A 168 -5.515 -3.061 -7.511 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.772 -1.377 -5.028 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.886 -0.575 -4.383 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.786 -2.814 -4.522 1.00 0.13 C ATOM 0 H VAL A 168 -8.215 -2.930 -6.640 1.00 0.13 H new ATOM 0 HA VAL A 168 -6.995 -0.285 -6.877 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.819 -0.930 -4.746 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.792 -0.629 -3.298 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.817 0.465 -4.702 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.850 -0.984 -4.684 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.713 -2.818 -3.434 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.715 -3.297 -4.825 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -5.940 -3.357 -4.944 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.603 -1.022 -7.271 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.302 -1.414 -7.756 1.00 0.12 C ATOM 1244 C PHE A 169 -2.325 -1.450 -6.596 1.00 0.10 C ATOM 1245 O PHE A 169 -2.125 -0.444 -5.922 1.00 0.12 O ATOM 1246 CB PHE A 169 -2.830 -0.431 -8.832 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.399 -0.612 -9.255 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.068 -1.544 -10.224 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.390 0.141 -8.683 1.00 0.18 C ATOM 1250 CE1 PHE A 169 0.244 -1.720 -10.617 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.925 -0.030 -9.070 1.00 0.23 C ATOM 1252 CZ PHE A 169 1.247 -0.932 -10.036 1.00 0.26 C ATOM 0 H PHE A 169 -4.679 -0.034 -7.029 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.358 -2.407 -8.201 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.471 -0.535 -9.708 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -2.960 0.585 -8.460 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -1.845 -2.141 -10.678 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.633 0.871 -7.925 1.00 0.18 H new ATOM 0 HE1 PHE A 169 0.495 -2.458 -11.365 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.702 0.556 -8.603 1.00 0.23 H new ATOM 0 HZ PHE A 169 2.273 -1.041 -10.355 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.739 -2.608 -6.354 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.735 -2.740 -5.313 1.00 0.10 C ATOM 1264 C VAL A 170 0.598 -3.093 -5.945 1.00 0.11 C ATOM 1265 O VAL A 170 0.696 -4.050 -6.715 1.00 0.13 O ATOM 1266 CB VAL A 170 -1.087 -3.826 -4.266 1.00 0.10 C ATOM 1267 CG1 VAL A 170 -0.047 -3.857 -3.154 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.474 -3.610 -3.682 1.00 0.09 C ATOM 0 H VAL A 170 -1.940 -3.469 -6.862 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.690 -1.783 -4.793 1.00 0.10 H new ATOM 0 HB VAL A 170 -1.085 -4.788 -4.779 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.312 -4.626 -2.429 1.00 0.11 H new ATOM 0 HG12 VAL A 170 0.932 -4.080 -3.578 1.00 0.11 H new ATOM 0 HG13 VAL A 170 -0.015 -2.887 -2.658 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.687 -4.390 -2.951 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.516 -2.636 -3.195 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.215 -3.649 -4.480 1.00 0.09 H new ATOM 1278 N GLY A 171 1.606 -2.305 -5.642 1.00 0.12 N ATOM 1279 CA GLY A 171 2.925 -2.563 -6.164 1.00 0.14 C ATOM 1280 C GLY A 171 3.993 -2.118 -5.202 1.00 0.14 C ATOM 1281 O GLY A 171 3.686 -1.700 -4.083 1.00 0.18 O ATOM 0 H GLY A 171 1.536 -1.485 -5.040 1.00 0.12 H new ATOM 0 HA2 GLY A 171 3.036 -3.628 -6.366 1.00 0.14 H new ATOM 0 HA3 GLY A 171 3.050 -2.044 -7.114 1.00 0.14 H new ATOM 1285 N ARG A 172 5.242 -2.201 -5.631 1.00 0.18 N ATOM 1286 CA ARG A 172 6.358 -1.769 -4.803 1.00 0.19 C ATOM 1287 C ARG A 172 6.196 -0.289 -4.496 1.00 0.22 C ATOM 1288 O ARG A 172 5.785 0.476 -5.370 1.00 0.36 O ATOM 1289 CB ARG A 172 7.702 -2.004 -5.516 1.00 0.23 C ATOM 1290 CG ARG A 172 7.938 -3.436 -5.989 1.00 0.32 C ATOM 1291 CD ARG A 172 8.189 -4.403 -4.843 1.00 0.39 C ATOM 1292 NE ARG A 172 8.070 -5.789 -5.284 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.808 -6.793 -4.825 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.770 -6.574 -3.935 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.586 -8.021 -5.273 1.00 1.93 N ATOM 0 H ARG A 172 5.509 -2.563 -6.546 1.00 0.18 H new ATOM 0 HA ARG A 172 6.358 -2.351 -3.881 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.761 -1.338 -6.377 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.509 -1.723 -4.840 1.00 0.23 H new ATOM 0 HG2 ARG A 172 7.072 -3.773 -6.559 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.792 -3.454 -6.666 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.185 -4.234 -4.433 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.477 -4.212 -4.040 1.00 0.39 H new ATOM 0 HE ARG A 172 7.370 -6.002 -5.995 1.00 1.03 H new ATOM 0 HH11 ARG A 172 9.947 -5.628 -3.598 1.00 1.34 H new ATOM 0 HH12 ARG A 172 10.331 -7.352 -3.589 1.00 1.34 H new ATOM 0 HH21 ARG A 172 7.854 -8.187 -5.964 1.00 1.93 H new ATOM 0 HH22 ARG A 172 9.147 -8.799 -4.927 1.00 1.93 H new