USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=13 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 : amide:sc= -6.3! K(o=-8.7!,f=-4.6) USER MOD Set 1.2: A 144 HIS : no HD1:sc= -2.36 K(o=-8.7,f=-6.9!) USER MOD Single : A 104 LYS NZ :NH3+ 137:sc= -0.198 (180deg=-0.707) USER MOD Single : A 105 ASN : amide:sc= 1.11 K(o=1.1,f=-1.4) USER MOD Single : A 108 LYS NZ :NH3+ -157:sc= -0.0935 (180deg=-0.472) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.588 K(o=0.59,f=-7!) USER MOD Single : A 113 LYS NZ :NH3+ -155:sc= -0.391 (180deg=-1.03) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 77:sc= 1.05 USER MOD Single : A 120 SER OG : rot 138:sc= 0.0492 USER MOD Single : A 124 ASN : amide:sc= 1.12 K(o=1.1,f=-1.6) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 129:sc= -3.03! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 148 GLN : amide:sc= -0.655 K(o=-0.66,f=-0.15) USER MOD Single : A 157 LYS NZ :NH3+ -121:sc= -0.0848 (180deg=-2.04!) USER MOD Single : A 158 MET CE :methyl -173:sc= -0.902 (180deg=-1.03) USER MOD Single : A 159 ASN : amide:sc= -0.508 K(o=-0.51,f=-5!) USER MOD Single : A 161 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.6!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.131 -1.717 4.797 1.00 0.29 N ATOM 141 CA VAL A 98 10.832 -3.151 4.723 1.00 0.33 C ATOM 142 C VAL A 98 9.348 -3.414 4.534 1.00 0.25 C ATOM 143 O VAL A 98 8.516 -3.035 5.360 1.00 0.27 O ATOM 144 CB VAL A 98 11.337 -3.948 5.941 1.00 0.49 C ATOM 145 CG1 VAL A 98 10.732 -5.345 5.950 1.00 0.47 C ATOM 146 CG2 VAL A 98 12.849 -4.048 5.925 1.00 0.71 C ATOM 0 HA VAL A 98 11.377 -3.502 3.847 1.00 0.33 H new ATOM 0 HB VAL A 98 11.028 -3.419 6.843 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.099 -5.895 6.817 1.00 0.47 H new ATOM 0 HG12 VAL A 98 9.646 -5.271 6.001 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.018 -5.871 5.039 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.185 -4.614 6.793 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.171 -4.554 5.015 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.280 -3.047 5.955 1.00 0.71 H new ATOM 156 N GLY A 99 9.017 -4.055 3.429 1.00 0.21 N ATOM 157 CA GLY A 99 7.649 -4.431 3.197 1.00 0.20 C ATOM 158 C GLY A 99 6.801 -3.254 2.770 1.00 0.15 C ATOM 159 O GLY A 99 5.594 -3.238 2.994 1.00 0.18 O ATOM 0 H GLY A 99 9.671 -4.320 2.692 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.611 -5.203 2.428 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.234 -4.866 4.106 1.00 0.20 H new ATOM 163 N ASN A 100 7.440 -2.254 2.178 1.00 0.13 N ATOM 164 CA ASN A 100 6.764 -1.001 1.864 1.00 0.14 C ATOM 165 C ASN A 100 6.138 -1.102 0.479 1.00 0.14 C ATOM 166 O ASN A 100 6.827 -1.384 -0.502 1.00 0.19 O ATOM 167 CB ASN A 100 7.790 0.139 1.899 1.00 0.21 C ATOM 168 CG ASN A 100 8.386 0.366 3.272 1.00 0.28 C ATOM 169 OD1 ASN A 100 9.000 1.400 3.518 1.00 0.63 O ATOM 170 ND2 ASN A 100 8.177 -0.567 4.193 1.00 0.20 N ATOM 0 H ASN A 100 8.423 -2.285 1.906 1.00 0.13 H new ATOM 0 HA ASN A 100 5.979 -0.802 2.594 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.592 -0.081 1.194 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.313 1.059 1.561 1.00 0.21 H new ATOM 0 HD21 ASN A 100 8.531 -0.437 5.141 1.00 0.20 H new ATOM 0 HD22 ASN A 100 7.662 -1.414 3.953 1.00 0.20 H new ATOM 177 N ILE A 101 4.835 -0.872 0.402 1.00 0.12 N ATOM 178 CA ILE A 101 4.115 -0.916 -0.866 1.00 0.13 C ATOM 179 C ILE A 101 3.153 0.256 -0.967 1.00 0.12 C ATOM 180 O ILE A 101 2.853 0.903 0.040 1.00 0.15 O ATOM 181 CB ILE A 101 3.331 -2.238 -1.053 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.238 -2.378 0.010 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.276 -3.431 -1.016 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.504 -3.702 -0.037 1.00 0.13 C ATOM 0 H ILE A 101 4.250 -0.651 1.208 1.00 0.12 H new ATOM 0 HA ILE A 101 4.863 -0.855 -1.656 1.00 0.13 H new ATOM 0 HB ILE A 101 2.850 -2.213 -2.031 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.686 -2.257 0.996 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.518 -1.569 -0.115 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.706 -4.351 -1.149 1.00 0.15 H new ATOM 0 HG22 ILE A 101 5.009 -3.339 -1.817 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.790 -3.458 -0.055 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.746 -3.726 0.746 1.00 0.13 H new ATOM 0 HD12 ILE A 101 1.025 -3.818 -1.009 1.00 0.13 H new ATOM 0 HD13 ILE A 101 2.212 -4.516 0.119 1.00 0.13 H new ATOM 196 N PHE A 102 2.669 0.531 -2.169 1.00 0.11 N ATOM 197 CA PHE A 102 1.658 1.558 -2.354 1.00 0.11 C ATOM 198 C PHE A 102 0.462 0.981 -3.107 1.00 0.09 C ATOM 199 O PHE A 102 0.611 0.075 -3.933 1.00 0.11 O ATOM 200 CB PHE A 102 2.242 2.789 -3.073 1.00 0.16 C ATOM 201 CG PHE A 102 1.863 2.926 -4.521 1.00 0.13 C ATOM 202 CD1 PHE A 102 2.645 2.346 -5.509 1.00 0.17 C ATOM 203 CD2 PHE A 102 0.726 3.622 -4.894 1.00 0.14 C ATOM 204 CE1 PHE A 102 2.304 2.459 -6.838 1.00 0.21 C ATOM 205 CE2 PHE A 102 0.379 3.741 -6.226 1.00 0.17 C ATOM 206 CZ PHE A 102 1.155 3.197 -7.193 1.00 0.20 C ATOM 0 H PHE A 102 2.959 0.060 -3.026 1.00 0.11 H new ATOM 0 HA PHE A 102 1.315 1.894 -1.375 1.00 0.11 H new ATOM 0 HB2 PHE A 102 1.920 3.686 -2.544 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.329 2.750 -3.001 1.00 0.16 H new ATOM 0 HD1 PHE A 102 3.534 1.798 -5.232 1.00 0.17 H new ATOM 0 HD2 PHE A 102 0.104 4.076 -4.137 1.00 0.14 H new ATOM 0 HE1 PHE A 102 2.908 1.989 -7.599 1.00 0.21 H new ATOM 0 HE2 PHE A 102 -0.520 4.273 -6.499 1.00 0.17 H new ATOM 0 HZ PHE A 102 0.895 3.328 -8.233 1.00 0.20 H new ATOM 216 N ILE A 103 -0.716 1.495 -2.796 1.00 0.08 N ATOM 217 CA ILE A 103 -1.955 1.019 -3.394 1.00 0.08 C ATOM 218 C ILE A 103 -2.678 2.167 -4.092 1.00 0.08 C ATOM 219 O ILE A 103 -2.747 3.272 -3.558 1.00 0.15 O ATOM 220 CB ILE A 103 -2.882 0.420 -2.320 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.145 -0.651 -1.518 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.135 -0.170 -2.954 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.449 -0.599 -0.043 1.00 0.09 C ATOM 0 H ILE A 103 -0.842 2.252 -2.124 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.704 0.247 -4.121 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.182 1.222 -1.645 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.414 -1.634 -1.904 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.072 -0.533 -1.666 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.774 -0.587 -2.176 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.676 0.612 -3.488 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.853 -0.958 -3.653 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -1.895 -1.385 0.471 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.155 0.372 0.355 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.518 -0.747 0.114 1.00 0.09 H new ATOM 235 N LYS A 104 -3.207 1.905 -5.279 1.00 0.13 N ATOM 236 CA LYS A 104 -3.907 2.928 -6.047 1.00 0.13 C ATOM 237 C LYS A 104 -5.375 2.553 -6.235 1.00 0.12 C ATOM 238 O LYS A 104 -5.714 1.370 -6.252 1.00 0.14 O ATOM 239 CB LYS A 104 -3.256 3.088 -7.423 1.00 0.19 C ATOM 240 CG LYS A 104 -3.262 4.522 -7.943 1.00 0.28 C ATOM 241 CD LYS A 104 -2.760 4.625 -9.378 1.00 0.39 C ATOM 242 CE LYS A 104 -3.827 4.219 -10.392 1.00 0.66 C ATOM 243 NZ LYS A 104 -5.082 5.009 -10.237 1.00 1.46 N ATOM 0 H LYS A 104 -3.165 0.992 -5.732 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.844 3.866 -5.495 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.226 2.734 -7.371 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.776 2.450 -8.137 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.275 4.921 -7.886 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -2.639 5.141 -7.298 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.442 5.648 -9.577 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.883 3.989 -9.501 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -3.437 4.354 -11.401 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -4.051 3.159 -10.276 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -5.435 5.288 -11.175 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -5.799 4.430 -9.755 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -4.889 5.861 -9.673 1.00 1.46 H new ATOM 257 N ASN A 105 -6.226 3.574 -6.359 1.00 0.12 N ATOM 258 CA ASN A 105 -7.636 3.413 -6.730 1.00 0.13 C ATOM 259 C ASN A 105 -8.460 2.844 -5.573 1.00 0.15 C ATOM 260 O ASN A 105 -9.367 2.042 -5.776 1.00 0.25 O ATOM 261 CB ASN A 105 -7.774 2.520 -7.970 1.00 0.16 C ATOM 262 CG ASN A 105 -9.105 2.713 -8.683 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.667 3.808 -8.697 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.618 1.649 -9.274 1.00 0.34 N ATOM 0 H ASN A 105 -5.955 4.545 -6.204 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.026 4.403 -6.966 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -6.960 2.737 -8.662 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.672 1.476 -7.675 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.510 1.718 -9.764 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.122 0.758 -9.241 1.00 0.34 H new ATOM 271 N LEU A 106 -8.152 3.284 -4.361 1.00 0.14 N ATOM 272 CA LEU A 106 -8.902 2.860 -3.183 1.00 0.17 C ATOM 273 C LEU A 106 -10.227 3.599 -3.073 1.00 0.22 C ATOM 274 O LEU A 106 -10.402 4.682 -3.638 1.00 0.26 O ATOM 275 CB LEU A 106 -8.080 3.080 -1.912 1.00 0.16 C ATOM 276 CG LEU A 106 -6.983 2.045 -1.675 1.00 0.14 C ATOM 277 CD1 LEU A 106 -5.927 2.591 -0.739 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.580 0.776 -1.091 1.00 0.16 C ATOM 0 H LEU A 106 -7.390 3.933 -4.166 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.110 1.796 -3.294 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.624 4.069 -1.957 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.754 3.078 -1.055 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.516 1.815 -2.633 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.154 1.838 -0.583 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.480 3.484 -1.176 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.384 2.845 0.217 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -6.789 0.044 -0.926 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.066 1.005 -0.143 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.314 0.366 -1.785 1.00 0.16 H new ATOM 290 N ASP A 107 -11.155 3.000 -2.341 1.00 0.27 N ATOM 291 CA ASP A 107 -12.471 3.583 -2.134 1.00 0.32 C ATOM 292 C ASP A 107 -12.443 4.570 -0.970 1.00 0.30 C ATOM 293 O ASP A 107 -11.646 4.428 -0.042 1.00 0.26 O ATOM 294 CB ASP A 107 -13.503 2.480 -1.877 1.00 0.37 C ATOM 295 CG ASP A 107 -14.893 3.028 -1.617 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.632 3.283 -2.588 1.00 0.62 O ATOM 297 OD2 ASP A 107 -15.248 3.208 -0.436 1.00 0.71 O ATOM 0 H ASP A 107 -11.018 2.102 -1.877 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.757 4.125 -3.035 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.536 1.811 -2.737 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.186 1.884 -1.021 1.00 0.37 H new ATOM 302 N LYS A 108 -13.319 5.564 -1.036 1.00 0.38 N ATOM 303 CA LYS A 108 -13.384 6.627 -0.031 1.00 0.43 C ATOM 304 C LYS A 108 -13.640 6.091 1.379 1.00 0.36 C ATOM 305 O LYS A 108 -13.202 6.691 2.360 1.00 0.46 O ATOM 306 CB LYS A 108 -14.466 7.653 -0.390 1.00 0.55 C ATOM 307 CG LYS A 108 -15.858 7.064 -0.582 1.00 0.57 C ATOM 308 CD LYS A 108 -16.933 8.121 -0.427 1.00 0.90 C ATOM 309 CE LYS A 108 -18.273 7.637 -0.963 1.00 1.21 C ATOM 310 NZ LYS A 108 -18.228 7.411 -2.432 1.00 2.20 N ATOM 0 H LYS A 108 -14.005 5.660 -1.785 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.406 7.108 -0.032 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.510 8.406 0.397 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.173 8.166 -1.306 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -15.930 6.612 -1.571 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -16.021 6.268 0.145 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -17.035 8.386 0.625 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -16.634 9.026 -0.956 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.553 6.711 -0.461 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -19.044 8.371 -0.731 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -19.191 7.467 -2.822 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -17.632 8.138 -2.877 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -17.830 6.470 -2.626 1.00 2.20 H new ATOM 324 N SER A 109 -14.344 4.974 1.481 1.00 0.31 N ATOM 325 CA SER A 109 -14.702 4.420 2.779 1.00 0.40 C ATOM 326 C SER A 109 -13.571 3.585 3.382 1.00 0.34 C ATOM 327 O SER A 109 -13.688 3.101 4.507 1.00 0.43 O ATOM 328 CB SER A 109 -15.969 3.578 2.655 1.00 0.56 C ATOM 329 OG SER A 109 -17.041 4.349 2.138 1.00 1.41 O ATOM 0 H SER A 109 -14.678 4.434 0.683 1.00 0.31 H new ATOM 0 HA SER A 109 -14.883 5.257 3.454 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.781 2.725 2.002 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.242 3.178 3.632 1.00 0.56 H new ATOM 0 HG SER A 109 -17.842 3.789 2.066 1.00 1.41 H new ATOM 335 N ILE A 110 -12.481 3.407 2.643 1.00 0.23 N ATOM 336 CA ILE A 110 -11.362 2.619 3.140 1.00 0.20 C ATOM 337 C ILE A 110 -10.585 3.388 4.206 1.00 0.20 C ATOM 338 O ILE A 110 -10.200 4.541 4.006 1.00 0.26 O ATOM 339 CB ILE A 110 -10.418 2.183 1.992 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.141 1.199 1.068 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.141 1.554 2.539 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.495 -0.113 1.739 1.00 0.23 C ATOM 0 H ILE A 110 -12.350 3.793 1.708 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.775 1.718 3.594 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.138 3.070 1.423 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.053 1.665 0.696 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.511 0.996 0.202 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.498 1.258 1.711 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.618 2.278 3.164 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.394 0.676 3.134 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.005 -0.761 1.026 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.585 -0.601 2.086 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.151 0.078 2.588 1.00 0.23 H new ATOM 354 N ASP A 111 -10.395 2.748 5.351 1.00 0.17 N ATOM 355 CA ASP A 111 -9.653 3.334 6.461 1.00 0.18 C ATOM 356 C ASP A 111 -8.359 2.553 6.662 1.00 0.14 C ATOM 357 O ASP A 111 -8.099 1.590 5.938 1.00 0.13 O ATOM 358 CB ASP A 111 -10.501 3.292 7.740 1.00 0.23 C ATOM 359 CG ASP A 111 -9.997 4.213 8.834 1.00 1.01 C ATOM 360 OD1 ASP A 111 -9.116 3.795 9.612 1.00 1.59 O ATOM 361 OD2 ASP A 111 -10.470 5.366 8.916 1.00 1.23 O ATOM 0 H ASP A 111 -10.749 1.810 5.538 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.418 4.374 6.236 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.528 3.562 7.494 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.522 2.270 8.118 1.00 0.23 H new ATOM 366 N ASN A 112 -7.573 2.927 7.663 1.00 0.15 N ATOM 367 CA ASN A 112 -6.297 2.273 7.913 1.00 0.13 C ATOM 368 C ASN A 112 -6.555 0.888 8.445 1.00 0.11 C ATOM 369 O ASN A 112 -5.810 -0.048 8.177 1.00 0.12 O ATOM 370 CB ASN A 112 -5.458 3.051 8.926 1.00 0.16 C ATOM 371 CG ASN A 112 -5.045 4.418 8.422 1.00 0.19 C ATOM 372 OD1 ASN A 112 -4.930 4.642 7.222 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.804 5.340 9.337 1.00 0.55 N ATOM 0 H ASN A 112 -7.797 3.679 8.314 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.743 2.230 6.975 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.026 3.166 9.849 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.566 2.475 9.171 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.511 6.275 9.054 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -4.910 5.117 10.327 1.00 0.55 H new ATOM 380 N LYS A 113 -7.647 0.771 9.180 1.00 0.12 N ATOM 381 CA LYS A 113 -8.067 -0.469 9.749 1.00 0.12 C ATOM 382 C LYS A 113 -8.459 -1.409 8.641 1.00 0.11 C ATOM 383 O LYS A 113 -8.080 -2.564 8.619 1.00 0.11 O ATOM 384 CB LYS A 113 -9.294 -0.189 10.565 1.00 0.15 C ATOM 385 CG LYS A 113 -9.457 -1.026 11.824 1.00 0.28 C ATOM 386 CD LYS A 113 -9.233 -2.522 11.608 1.00 0.54 C ATOM 387 CE LYS A 113 -10.504 -3.284 11.218 1.00 1.63 C ATOM 388 NZ LYS A 113 -11.659 -2.951 12.096 1.00 2.58 N ATOM 0 H LYS A 113 -8.266 1.553 9.393 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.270 -0.907 10.350 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.286 0.863 10.850 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.170 -0.342 9.934 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.756 -0.669 12.579 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.460 -0.873 12.223 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -8.484 -2.660 10.828 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -8.826 -2.955 12.522 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -10.759 -3.053 10.184 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -10.311 -4.356 11.267 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -12.335 -3.742 12.096 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -11.321 -2.785 13.066 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -12.129 -2.094 11.741 1.00 2.58 H new ATOM 402 N ALA A 114 -9.254 -0.872 7.738 1.00 0.11 N ATOM 403 CA ALA A 114 -9.773 -1.626 6.610 1.00 0.12 C ATOM 404 C ALA A 114 -8.642 -2.123 5.723 1.00 0.11 C ATOM 405 O ALA A 114 -8.628 -3.282 5.298 1.00 0.13 O ATOM 406 CB ALA A 114 -10.722 -0.750 5.810 1.00 0.15 C ATOM 0 H ALA A 114 -9.560 0.101 7.764 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.312 -2.495 6.987 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.112 -1.315 4.963 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.548 -0.433 6.446 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.187 0.127 5.446 1.00 0.15 H new ATOM 412 N LEU A 115 -7.689 -1.243 5.462 1.00 0.09 N ATOM 413 CA LEU A 115 -6.521 -1.599 4.680 1.00 0.09 C ATOM 414 C LEU A 115 -5.709 -2.640 5.446 1.00 0.08 C ATOM 415 O LEU A 115 -5.312 -3.668 4.893 1.00 0.09 O ATOM 416 CB LEU A 115 -5.686 -0.338 4.410 1.00 0.10 C ATOM 417 CG LEU A 115 -4.737 -0.397 3.208 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.084 0.956 2.981 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.672 -1.453 3.407 1.00 0.11 C ATOM 0 H LEU A 115 -7.704 -0.275 5.782 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.820 -2.024 3.722 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.368 0.500 4.267 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.097 -0.120 5.301 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.326 -0.662 2.330 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.413 0.897 2.124 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.853 1.704 2.789 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.516 1.239 3.867 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -3.013 -1.473 2.539 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.091 -1.220 4.299 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.144 -2.428 3.526 1.00 0.11 H new ATOM 431 N TYR A 116 -5.499 -2.380 6.729 1.00 0.08 N ATOM 432 CA TYR A 116 -4.781 -3.300 7.591 1.00 0.09 C ATOM 433 C TYR A 116 -5.480 -4.645 7.649 1.00 0.10 C ATOM 434 O TYR A 116 -4.855 -5.673 7.428 1.00 0.11 O ATOM 435 CB TYR A 116 -4.643 -2.719 9.004 1.00 0.10 C ATOM 436 CG TYR A 116 -4.010 -3.671 9.998 1.00 0.13 C ATOM 437 CD1 TYR A 116 -4.788 -4.563 10.716 1.00 0.18 C ATOM 438 CD2 TYR A 116 -2.639 -3.667 10.223 1.00 0.19 C ATOM 439 CE1 TYR A 116 -4.220 -5.427 11.635 1.00 0.23 C ATOM 440 CE2 TYR A 116 -2.065 -4.523 11.139 1.00 0.24 C ATOM 441 CZ TYR A 116 -2.836 -5.434 11.796 1.00 0.23 C ATOM 442 OH TYR A 116 -2.290 -6.258 12.757 1.00 0.30 O ATOM 0 H TYR A 116 -5.820 -1.532 7.196 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.786 -3.445 7.171 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.045 -1.809 8.956 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.630 -2.433 9.367 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -5.856 -4.585 10.556 1.00 0.18 H new ATOM 0 HD2 TYR A 116 -2.012 -2.982 9.671 1.00 0.19 H new ATOM 0 HE1 TYR A 116 -4.842 -6.088 12.221 1.00 0.23 H new ATOM 0 HE2 TYR A 116 -1.004 -4.471 11.336 1.00 0.24 H new ATOM 0 HH TYR A 116 -1.315 -6.160 12.756 1.00 0.30 H new ATOM 452 N ASP A 117 -6.782 -4.634 7.901 1.00 0.10 N ATOM 453 CA ASP A 117 -7.531 -5.870 8.095 1.00 0.12 C ATOM 454 C ASP A 117 -7.396 -6.779 6.882 1.00 0.12 C ATOM 455 O ASP A 117 -7.255 -7.995 7.015 1.00 0.15 O ATOM 456 CB ASP A 117 -9.010 -5.568 8.337 1.00 0.16 C ATOM 457 CG ASP A 117 -9.753 -6.765 8.900 1.00 0.27 C ATOM 458 OD1 ASP A 117 -9.555 -7.097 10.086 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.543 -7.383 8.156 1.00 0.40 O ATOM 0 H ASP A 117 -7.342 -3.785 7.976 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.118 -6.376 8.968 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.100 -4.729 9.027 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.475 -5.261 7.400 1.00 0.16 H new ATOM 464 N THR A 118 -7.404 -6.176 5.705 1.00 0.11 N ATOM 465 CA THR A 118 -7.323 -6.931 4.472 1.00 0.11 C ATOM 466 C THR A 118 -5.889 -7.414 4.200 1.00 0.10 C ATOM 467 O THR A 118 -5.655 -8.610 4.018 1.00 0.12 O ATOM 468 CB THR A 118 -7.822 -6.078 3.290 1.00 0.13 C ATOM 469 OG1 THR A 118 -9.089 -5.488 3.619 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.972 -6.926 2.036 1.00 0.17 C ATOM 0 H THR A 118 -7.466 -5.166 5.580 1.00 0.11 H new ATOM 0 HA THR A 118 -7.961 -7.809 4.579 1.00 0.11 H new ATOM 0 HB THR A 118 -7.088 -5.296 3.098 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.949 -4.726 4.219 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.325 -6.302 1.215 1.00 0.17 H new ATOM 0 HG22 THR A 118 -7.007 -7.360 1.773 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.691 -7.724 2.220 1.00 0.17 H new ATOM 478 N PHE A 119 -4.932 -6.488 4.207 1.00 0.08 N ATOM 479 CA PHE A 119 -3.545 -6.805 3.861 1.00 0.08 C ATOM 480 C PHE A 119 -2.848 -7.631 4.952 1.00 0.08 C ATOM 481 O PHE A 119 -1.937 -8.402 4.663 1.00 0.09 O ATOM 482 CB PHE A 119 -2.752 -5.535 3.524 1.00 0.08 C ATOM 483 CG PHE A 119 -3.169 -4.878 2.223 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.472 -4.422 2.029 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.264 -4.734 1.184 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.849 -3.846 0.834 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.640 -4.159 -0.014 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.940 -3.625 -0.142 1.00 0.09 C ATOM 0 H PHE A 119 -5.091 -5.510 4.449 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.574 -7.428 2.967 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.871 -4.818 4.336 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.692 -5.784 3.471 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.195 -4.521 2.825 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.248 -5.077 1.313 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.881 -3.569 0.676 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -1.948 -4.119 -0.842 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.207 -3.044 -1.013 1.00 0.09 H new ATOM 498 N SER A 120 -3.278 -7.469 6.200 1.00 0.09 N ATOM 499 CA SER A 120 -2.666 -8.166 7.337 1.00 0.09 C ATOM 500 C SER A 120 -2.710 -9.684 7.148 1.00 0.08 C ATOM 501 O SER A 120 -1.860 -10.404 7.668 1.00 0.09 O ATOM 502 CB SER A 120 -3.351 -7.771 8.653 1.00 0.13 C ATOM 503 OG SER A 120 -2.725 -8.373 9.774 1.00 0.19 O ATOM 0 H SER A 120 -4.053 -6.857 6.455 1.00 0.09 H new ATOM 0 HA SER A 120 -1.620 -7.862 7.385 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.329 -6.687 8.763 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.400 -8.067 8.620 1.00 0.13 H new ATOM 0 HG SER A 120 -2.657 -7.719 10.501 1.00 0.19 H new ATOM 509 N ALA A 121 -3.714 -10.170 6.427 1.00 0.09 N ATOM 510 CA ALA A 121 -3.827 -11.598 6.131 1.00 0.11 C ATOM 511 C ALA A 121 -2.582 -12.121 5.406 1.00 0.11 C ATOM 512 O ALA A 121 -2.292 -13.318 5.434 1.00 0.13 O ATOM 513 CB ALA A 121 -5.071 -11.864 5.299 1.00 0.14 C ATOM 0 H ALA A 121 -4.463 -9.598 6.036 1.00 0.09 H new ATOM 0 HA ALA A 121 -3.909 -12.131 7.078 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.144 -12.930 5.085 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -5.954 -11.543 5.852 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -5.008 -11.309 4.363 1.00 0.14 H new ATOM 519 N PHE A 122 -1.848 -11.219 4.765 1.00 0.08 N ATOM 520 CA PHE A 122 -0.640 -11.579 4.029 1.00 0.09 C ATOM 521 C PHE A 122 0.582 -11.499 4.939 1.00 0.10 C ATOM 522 O PHE A 122 1.625 -12.099 4.663 1.00 0.18 O ATOM 523 CB PHE A 122 -0.470 -10.643 2.832 1.00 0.09 C ATOM 524 CG PHE A 122 -1.725 -10.498 2.026 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.341 -11.608 1.478 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.271 -9.250 1.794 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.479 -11.478 0.714 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.413 -9.113 1.033 1.00 0.12 C ATOM 529 CZ PHE A 122 -4.077 -10.232 0.583 1.00 0.13 C ATOM 0 H PHE A 122 -2.070 -10.224 4.740 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.735 -12.604 3.671 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.155 -9.661 3.186 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.326 -11.021 2.191 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.924 -12.589 1.651 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.799 -8.373 2.213 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.904 -12.339 0.220 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.786 -8.129 0.790 1.00 0.12 H new ATOM 0 HZ PHE A 122 -5.054 -10.141 0.132 1.00 0.13 H new ATOM 539 N GLY A 123 0.438 -10.754 6.025 1.00 0.09 N ATOM 540 CA GLY A 123 1.509 -10.584 6.978 1.00 0.10 C ATOM 541 C GLY A 123 1.215 -9.439 7.919 1.00 0.09 C ATOM 542 O GLY A 123 0.353 -8.608 7.630 1.00 0.11 O ATOM 0 H GLY A 123 -0.420 -10.257 6.264 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.644 -11.503 7.548 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.444 -10.396 6.451 1.00 0.10 H new ATOM 546 N ASN A 124 1.907 -9.394 9.044 1.00 0.13 N ATOM 547 CA ASN A 124 1.707 -8.322 10.009 1.00 0.14 C ATOM 548 C ASN A 124 2.131 -6.993 9.406 1.00 0.11 C ATOM 549 O ASN A 124 3.090 -6.918 8.643 1.00 0.14 O ATOM 550 CB ASN A 124 2.491 -8.597 11.295 1.00 0.18 C ATOM 551 CG ASN A 124 2.276 -7.528 12.353 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.214 -6.908 12.426 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.282 -7.308 13.182 1.00 0.25 N ATOM 0 H ASN A 124 2.610 -10.083 9.313 1.00 0.13 H new ATOM 0 HA ASN A 124 0.647 -8.275 10.260 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.193 -9.565 11.697 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.554 -8.662 11.061 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.194 -6.604 13.915 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.146 -7.843 13.089 1.00 0.25 H new ATOM 560 N ILE A 125 1.396 -5.956 9.735 1.00 0.11 N ATOM 561 CA ILE A 125 1.663 -4.628 9.220 1.00 0.10 C ATOM 562 C ILE A 125 2.108 -3.710 10.351 1.00 0.11 C ATOM 563 O ILE A 125 1.502 -3.702 11.425 1.00 0.14 O ATOM 564 CB ILE A 125 0.407 -4.045 8.543 1.00 0.11 C ATOM 565 CG1 ILE A 125 -0.043 -4.946 7.390 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.662 -2.628 8.051 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.336 -4.503 6.739 1.00 0.11 C ATOM 0 H ILE A 125 0.596 -6.006 10.366 1.00 0.11 H new ATOM 0 HA ILE A 125 2.459 -4.701 8.479 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.392 -4.004 9.283 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.742 -4.974 6.635 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.164 -5.963 7.762 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.240 -2.240 7.577 1.00 0.14 H new ATOM 0 HG22 ILE A 125 0.931 -1.993 8.895 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.477 -2.635 7.328 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.591 -5.189 5.931 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.135 -4.502 7.480 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.215 -3.498 6.336 1.00 0.11 H new ATOM 579 N LEU A 126 3.163 -2.939 10.117 1.00 0.13 N ATOM 580 CA LEU A 126 3.689 -2.056 11.145 1.00 0.15 C ATOM 581 C LEU A 126 2.978 -0.720 11.055 1.00 0.16 C ATOM 582 O LEU A 126 2.488 -0.186 12.049 1.00 0.24 O ATOM 583 CB LEU A 126 5.206 -1.819 11.000 1.00 0.19 C ATOM 584 CG LEU A 126 6.112 -3.052 10.832 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.494 -4.309 11.423 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.480 -3.242 9.373 1.00 0.54 C ATOM 0 H LEU A 126 3.667 -2.908 9.230 1.00 0.13 H new ATOM 0 HA LEU A 126 3.518 -2.535 12.109 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.363 -1.169 10.140 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.545 -1.271 11.879 1.00 0.19 H new ATOM 0 HG LEU A 126 7.026 -2.868 11.396 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.172 -5.150 11.279 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.320 -4.162 12.489 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.547 -4.517 10.926 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.121 -4.118 9.270 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.574 -3.385 8.785 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.010 -2.360 9.014 1.00 0.54 H new ATOM 598 N SER A 127 2.905 -0.205 9.839 1.00 0.14 N ATOM 599 CA SER A 127 2.334 1.102 9.592 1.00 0.17 C ATOM 600 C SER A 127 1.572 1.118 8.270 1.00 0.19 C ATOM 601 O SER A 127 2.174 1.142 7.197 1.00 0.37 O ATOM 602 CB SER A 127 3.448 2.150 9.567 1.00 0.19 C ATOM 603 OG SER A 127 4.181 2.145 10.782 1.00 0.76 O ATOM 0 H SER A 127 3.239 -0.681 9.001 1.00 0.14 H new ATOM 0 HA SER A 127 1.633 1.335 10.393 1.00 0.17 H new ATOM 0 HB2 SER A 127 4.120 1.951 8.732 1.00 0.19 H new ATOM 0 HB3 SER A 127 3.018 3.138 9.402 1.00 0.19 H new ATOM 0 HG SER A 127 4.888 2.822 10.740 1.00 0.76 H new ATOM 609 N CYS A 128 0.254 1.052 8.353 1.00 0.18 N ATOM 610 CA CYS A 128 -0.592 1.186 7.176 1.00 0.17 C ATOM 611 C CYS A 128 -1.191 2.582 7.131 1.00 0.16 C ATOM 612 O CYS A 128 -1.389 3.212 8.174 1.00 0.28 O ATOM 613 CB CYS A 128 -1.700 0.133 7.185 1.00 0.21 C ATOM 614 SG CYS A 128 -2.515 -0.062 8.787 1.00 0.72 S ATOM 0 H CYS A 128 -0.256 0.906 9.224 1.00 0.18 H new ATOM 0 HA CYS A 128 0.018 1.030 6.286 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.448 0.401 6.439 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.278 -0.826 6.884 1.00 0.21 H new ATOM 0 HG CYS A 128 -3.803 0.022 8.632 1.00 0.72 H new ATOM 620 N LYS A 129 -1.465 3.072 5.933 1.00 0.13 N ATOM 621 CA LYS A 129 -2.005 4.410 5.774 1.00 0.14 C ATOM 622 C LYS A 129 -2.894 4.505 4.541 1.00 0.12 C ATOM 623 O LYS A 129 -2.527 4.057 3.457 1.00 0.12 O ATOM 624 CB LYS A 129 -0.862 5.427 5.673 1.00 0.18 C ATOM 625 CG LYS A 129 -1.323 6.857 5.422 1.00 0.23 C ATOM 626 CD LYS A 129 -1.964 7.485 6.651 1.00 0.36 C ATOM 627 CE LYS A 129 -2.377 8.928 6.377 1.00 0.47 C ATOM 628 NZ LYS A 129 -2.917 9.597 7.588 1.00 1.00 N ATOM 0 H LYS A 129 -1.323 2.564 5.060 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.615 4.634 6.649 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.283 5.400 6.596 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.192 5.126 4.868 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.471 7.461 5.112 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -2.037 6.866 4.599 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.837 6.903 6.947 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -1.263 7.456 7.486 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -1.517 9.487 6.009 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -3.129 8.945 5.589 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -3.184 10.575 7.355 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -3.754 9.080 7.926 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -2.191 9.605 8.333 1.00 1.00 H new ATOM 642 N VAL A 130 -4.066 5.085 4.734 1.00 0.15 N ATOM 643 CA VAL A 130 -4.968 5.424 3.656 1.00 0.17 C ATOM 644 C VAL A 130 -5.067 6.929 3.625 1.00 0.20 C ATOM 645 O VAL A 130 -5.616 7.542 4.540 1.00 0.24 O ATOM 646 CB VAL A 130 -6.387 4.840 3.839 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.275 5.216 2.657 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.341 3.331 4.013 1.00 0.21 C ATOM 0 H VAL A 130 -4.419 5.335 5.658 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.573 5.002 2.732 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.814 5.269 4.746 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.271 4.797 2.802 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.345 6.301 2.585 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.845 4.819 1.738 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.354 2.948 4.140 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -5.889 2.877 3.131 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.747 3.084 4.893 1.00 0.21 H new ATOM 658 N VAL A 131 -4.511 7.521 2.603 1.00 0.21 N ATOM 659 CA VAL A 131 -4.444 8.960 2.523 1.00 0.27 C ATOM 660 C VAL A 131 -5.804 9.499 2.110 1.00 0.33 C ATOM 661 O VAL A 131 -6.299 9.201 1.023 1.00 0.33 O ATOM 662 CB VAL A 131 -3.331 9.362 1.547 1.00 0.28 C ATOM 663 CG1 VAL A 131 -3.021 10.845 1.643 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.098 8.523 1.853 1.00 0.25 C ATOM 0 H VAL A 131 -4.096 7.030 1.811 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.199 9.393 3.493 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.659 9.176 0.524 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.228 11.097 0.939 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -3.916 11.420 1.404 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.696 11.084 2.656 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.294 8.794 1.169 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.779 8.706 2.879 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.337 7.467 1.731 1.00 0.25 H new ATOM 766 N GLY A 139 -7.434 8.122 -2.779 1.00 0.27 N ATOM 767 CA GLY A 139 -7.358 7.053 -3.748 1.00 0.26 C ATOM 768 C GLY A 139 -6.153 6.160 -3.562 1.00 0.21 C ATOM 769 O GLY A 139 -6.097 5.074 -4.124 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.263 6.448 -3.683 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.332 7.482 -4.750 1.00 0.26 H new ATOM 773 N TYR A 140 -5.190 6.594 -2.773 1.00 0.19 N ATOM 774 CA TYR A 140 -3.957 5.840 -2.633 1.00 0.15 C ATOM 775 C TYR A 140 -3.589 5.621 -1.172 1.00 0.13 C ATOM 776 O TYR A 140 -3.890 6.446 -0.304 1.00 0.16 O ATOM 777 CB TYR A 140 -2.812 6.525 -3.392 1.00 0.19 C ATOM 778 CG TYR A 140 -2.639 7.996 -3.082 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.395 8.956 -3.746 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.712 8.423 -2.139 1.00 0.31 C ATOM 781 CE1 TYR A 140 -3.232 10.301 -3.476 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.544 9.767 -1.865 1.00 0.39 C ATOM 783 CZ TYR A 140 -2.304 10.701 -2.536 1.00 0.41 C ATOM 784 OH TYR A 140 -2.137 12.041 -2.266 1.00 0.49 O ATOM 0 H TYR A 140 -5.234 7.453 -2.225 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.123 4.857 -3.074 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -1.881 6.007 -3.162 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -2.984 6.411 -4.462 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.120 8.645 -4.484 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -1.114 7.694 -1.613 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.828 11.036 -3.998 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.821 10.084 -1.129 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.446 12.153 -1.580 1.00 0.49 H new ATOM 794 N GLY A 141 -2.951 4.490 -0.916 1.00 0.11 N ATOM 795 CA GLY A 141 -2.537 4.141 0.425 1.00 0.11 C ATOM 796 C GLY A 141 -1.194 3.446 0.424 1.00 0.10 C ATOM 797 O GLY A 141 -0.648 3.158 -0.641 1.00 0.12 O ATOM 0 H GLY A 141 -2.710 3.798 -1.626 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.482 5.042 1.036 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.284 3.491 0.881 1.00 0.11 H new ATOM 801 N PHE A 142 -0.658 3.178 1.605 1.00 0.10 N ATOM 802 CA PHE A 142 0.655 2.556 1.727 1.00 0.10 C ATOM 803 C PHE A 142 0.648 1.506 2.833 1.00 0.10 C ATOM 804 O PHE A 142 -0.020 1.682 3.855 1.00 0.14 O ATOM 805 CB PHE A 142 1.723 3.610 2.043 1.00 0.12 C ATOM 806 CG PHE A 142 1.736 4.782 1.098 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.266 4.660 -0.181 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.212 6.004 1.485 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.272 5.737 -1.047 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.215 7.082 0.622 1.00 0.25 C ATOM 811 CZ PHE A 142 1.772 6.947 -0.646 1.00 0.22 C ATOM 0 H PHE A 142 -1.112 3.381 2.495 1.00 0.10 H new ATOM 0 HA PHE A 142 0.889 2.078 0.776 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.565 3.978 3.057 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.703 3.134 2.026 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.677 3.714 -0.501 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.795 6.115 2.475 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.672 5.624 -2.044 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.787 8.025 0.930 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.810 7.796 -1.313 1.00 0.22 H new ATOM 821 N VAL A 143 1.377 0.412 2.629 1.00 0.08 N ATOM 822 CA VAL A 143 1.519 -0.602 3.668 1.00 0.08 C ATOM 823 C VAL A 143 2.976 -0.767 4.075 1.00 0.08 C ATOM 824 O VAL A 143 3.870 -0.792 3.228 1.00 0.09 O ATOM 825 CB VAL A 143 0.992 -1.984 3.220 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.039 -2.991 4.368 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.415 -1.870 2.676 1.00 0.10 C ATOM 0 H VAL A 143 1.874 0.207 1.762 1.00 0.08 H new ATOM 0 HA VAL A 143 0.924 -0.249 4.510 1.00 0.08 H new ATOM 0 HB VAL A 143 1.643 -2.346 2.425 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.662 -3.954 4.023 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.068 -3.105 4.710 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.421 -2.633 5.191 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.766 -2.854 2.367 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.074 -1.477 3.450 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.420 -1.197 1.819 1.00 0.10 H new ATOM 837 N HIS A 144 3.206 -0.838 5.373 1.00 0.09 N ATOM 838 CA HIS A 144 4.483 -1.284 5.900 1.00 0.10 C ATOM 839 C HIS A 144 4.330 -2.698 6.422 1.00 0.10 C ATOM 840 O HIS A 144 3.724 -2.903 7.471 1.00 0.11 O ATOM 841 CB HIS A 144 4.942 -0.383 7.041 1.00 0.12 C ATOM 842 CG HIS A 144 5.958 0.625 6.637 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.859 1.178 7.517 1.00 0.18 N ATOM 844 CD2 HIS A 144 6.220 1.172 5.435 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.628 2.032 6.875 1.00 0.21 C ATOM 846 NE2 HIS A 144 7.258 2.052 5.612 1.00 0.21 N ATOM 0 H HIS A 144 2.520 -0.591 6.086 1.00 0.09 H new ATOM 0 HA HIS A 144 5.225 -1.246 5.103 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.076 0.133 7.455 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.355 -1.002 7.837 1.00 0.12 H new ATOM 0 HD2 HIS A 144 5.710 0.959 4.507 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.426 2.616 7.310 1.00 0.21 H new ATOM 0 HE2 HIS A 144 7.676 2.629 4.882 1.00 0.21 H new ATOM 855 N PHE A 145 4.862 -3.668 5.708 1.00 0.10 N ATOM 856 CA PHE A 145 4.749 -5.049 6.136 1.00 0.10 C ATOM 857 C PHE A 145 5.904 -5.447 7.027 1.00 0.13 C ATOM 858 O PHE A 145 7.060 -5.124 6.755 1.00 0.17 O ATOM 859 CB PHE A 145 4.653 -6.001 4.946 1.00 0.10 C ATOM 860 CG PHE A 145 3.250 -6.249 4.489 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.402 -7.058 5.219 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.775 -5.658 3.330 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.106 -7.278 4.802 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.479 -5.873 2.908 1.00 0.10 C ATOM 865 CZ PHE A 145 0.654 -6.731 3.638 1.00 0.10 C ATOM 0 H PHE A 145 5.373 -3.529 4.836 1.00 0.10 H new ATOM 0 HA PHE A 145 3.826 -5.127 6.711 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.229 -5.592 4.116 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.112 -6.952 5.214 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.757 -7.524 6.126 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.427 -5.021 2.750 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.445 -7.887 5.401 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.106 -5.382 2.021 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.339 -6.961 3.282 1.00 0.10 H new ATOM 875 N GLU A 146 5.552 -6.133 8.103 1.00 0.13 N ATOM 876 CA GLU A 146 6.514 -6.679 9.066 1.00 0.17 C ATOM 877 C GLU A 146 7.634 -7.401 8.338 1.00 0.19 C ATOM 878 O GLU A 146 8.816 -7.249 8.653 1.00 0.22 O ATOM 879 CB GLU A 146 5.792 -7.658 9.994 1.00 0.22 C ATOM 880 CG GLU A 146 6.677 -8.330 11.029 1.00 0.30 C ATOM 881 CD GLU A 146 5.920 -9.375 11.822 1.00 0.37 C ATOM 882 OE1 GLU A 146 5.810 -10.523 11.343 1.00 0.57 O ATOM 883 OE2 GLU A 146 5.461 -9.062 12.944 1.00 0.38 O ATOM 0 H GLU A 146 4.580 -6.332 8.341 1.00 0.13 H new ATOM 0 HA GLU A 146 6.943 -5.863 9.648 1.00 0.17 H new ATOM 0 HB2 GLU A 146 4.994 -7.125 10.511 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.318 -8.429 9.387 1.00 0.22 H new ATOM 0 HG2 GLU A 146 7.528 -8.796 10.532 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.078 -7.578 11.708 1.00 0.30 H new ATOM 890 N THR A 147 7.232 -8.181 7.360 1.00 0.22 N ATOM 891 CA THR A 147 8.157 -8.933 6.543 1.00 0.26 C ATOM 892 C THR A 147 8.124 -8.452 5.096 1.00 0.23 C ATOM 893 O THR A 147 7.063 -8.130 4.556 1.00 0.21 O ATOM 894 CB THR A 147 7.846 -10.440 6.601 1.00 0.33 C ATOM 895 OG1 THR A 147 6.434 -10.659 6.466 1.00 0.40 O ATOM 896 CG2 THR A 147 8.334 -11.050 7.902 1.00 0.35 C ATOM 0 H THR A 147 6.252 -8.312 7.108 1.00 0.22 H new ATOM 0 HA THR A 147 9.157 -8.767 6.943 1.00 0.26 H new ATOM 0 HB THR A 147 8.370 -10.922 5.776 1.00 0.33 H new ATOM 0 HG1 THR A 147 6.247 -11.620 6.502 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.101 -12.115 7.915 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.412 -10.914 7.986 1.00 0.35 H new ATOM 0 HG23 THR A 147 7.840 -10.560 8.741 1.00 0.35 H new ATOM 904 N GLN A 148 9.297 -8.409 4.482 1.00 0.24 N ATOM 905 CA GLN A 148 9.452 -7.956 3.105 1.00 0.23 C ATOM 906 C GLN A 148 8.649 -8.833 2.145 1.00 0.21 C ATOM 907 O GLN A 148 8.035 -8.331 1.200 1.00 0.21 O ATOM 908 CB GLN A 148 10.937 -7.992 2.732 1.00 0.28 C ATOM 909 CG GLN A 148 11.254 -7.445 1.352 1.00 0.31 C ATOM 910 CD GLN A 148 10.963 -5.965 1.226 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.818 -5.125 1.496 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.751 -5.638 0.823 1.00 0.38 N ATOM 0 H GLN A 148 10.172 -8.688 4.925 1.00 0.24 H new ATOM 0 HA GLN A 148 9.073 -6.937 3.023 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.498 -7.422 3.472 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.288 -9.022 2.790 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.306 -7.624 1.128 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.672 -7.989 0.608 1.00 0.31 H new ATOM 0 HE21 GLN A 148 9.071 -6.367 0.609 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.494 -4.656 0.725 1.00 0.38 H new ATOM 921 N GLU A 149 8.650 -10.137 2.396 1.00 0.22 N ATOM 922 CA GLU A 149 7.944 -11.086 1.540 1.00 0.22 C ATOM 923 C GLU A 149 6.425 -10.914 1.635 1.00 0.18 C ATOM 924 O GLU A 149 5.711 -11.121 0.652 1.00 0.17 O ATOM 925 CB GLU A 149 8.355 -12.527 1.844 1.00 0.28 C ATOM 926 CG GLU A 149 8.055 -12.968 3.254 1.00 0.35 C ATOM 927 CD GLU A 149 8.290 -14.445 3.460 1.00 0.47 C ATOM 928 OE1 GLU A 149 9.463 -14.875 3.423 1.00 0.62 O ATOM 929 OE2 GLU A 149 7.303 -15.188 3.637 1.00 0.74 O ATOM 0 H GLU A 149 9.133 -10.563 3.187 1.00 0.22 H new ATOM 0 HA GLU A 149 8.234 -10.867 0.512 1.00 0.22 H new ATOM 0 HB2 GLU A 149 7.843 -13.194 1.150 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.424 -12.635 1.661 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.678 -12.404 3.948 1.00 0.35 H new ATOM 0 HG3 GLU A 149 7.018 -12.732 3.492 1.00 0.35 H new ATOM 936 N ALA A 150 5.931 -10.532 2.811 1.00 0.17 N ATOM 937 CA ALA A 150 4.497 -10.328 3.005 1.00 0.15 C ATOM 938 C ALA A 150 3.993 -9.210 2.104 1.00 0.13 C ATOM 939 O ALA A 150 2.870 -9.256 1.599 1.00 0.13 O ATOM 940 CB ALA A 150 4.195 -10.008 4.457 1.00 0.18 C ATOM 0 H ALA A 150 6.499 -10.358 3.640 1.00 0.17 H new ATOM 0 HA ALA A 150 3.981 -11.250 2.739 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.122 -9.859 4.581 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.522 -10.835 5.087 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.723 -9.100 4.747 1.00 0.18 H new ATOM 946 N ALA A 151 4.842 -8.212 1.905 1.00 0.13 N ATOM 947 CA ALA A 151 4.534 -7.097 1.024 1.00 0.13 C ATOM 948 C ALA A 151 4.323 -7.585 -0.399 1.00 0.12 C ATOM 949 O ALA A 151 3.346 -7.221 -1.052 1.00 0.13 O ATOM 950 CB ALA A 151 5.653 -6.077 1.073 1.00 0.16 C ATOM 0 H ALA A 151 5.759 -8.153 2.348 1.00 0.13 H new ATOM 0 HA ALA A 151 3.612 -6.626 1.363 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.416 -5.244 0.411 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.765 -5.709 2.093 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.584 -6.543 0.751 1.00 0.16 H new ATOM 956 N GLU A 152 5.243 -8.413 -0.867 1.00 0.13 N ATOM 957 CA GLU A 152 5.139 -9.007 -2.189 1.00 0.14 C ATOM 958 C GLU A 152 3.857 -9.824 -2.319 1.00 0.12 C ATOM 959 O GLU A 152 3.192 -9.773 -3.352 1.00 0.15 O ATOM 960 CB GLU A 152 6.364 -9.876 -2.466 1.00 0.18 C ATOM 961 CG GLU A 152 7.669 -9.117 -2.309 1.00 0.26 C ATOM 962 CD GLU A 152 8.876 -9.922 -2.730 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.087 -10.089 -3.950 1.00 0.95 O ATOM 964 OE2 GLU A 152 9.639 -10.359 -1.849 1.00 1.42 O ATOM 0 H GLU A 152 6.075 -8.690 -0.347 1.00 0.13 H new ATOM 0 HA GLU A 152 5.101 -8.207 -2.929 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.360 -10.729 -1.787 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.300 -10.275 -3.478 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.625 -8.203 -2.901 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.785 -8.817 -1.268 1.00 0.26 H new ATOM 971 N ARG A 153 3.500 -10.555 -1.259 1.00 0.10 N ATOM 972 CA ARG A 153 2.247 -11.307 -1.237 1.00 0.12 C ATOM 973 C ARG A 153 1.055 -10.375 -1.432 1.00 0.11 C ATOM 974 O ARG A 153 0.124 -10.685 -2.175 1.00 0.16 O ATOM 975 CB ARG A 153 2.064 -12.063 0.079 1.00 0.16 C ATOM 976 CG ARG A 153 3.076 -13.167 0.334 1.00 0.21 C ATOM 977 CD ARG A 153 2.741 -13.908 1.622 1.00 0.26 C ATOM 978 NE ARG A 153 3.696 -14.968 1.931 1.00 0.38 N ATOM 979 CZ ARG A 153 3.411 -16.029 2.689 1.00 0.80 C ATOM 980 NH1 ARG A 153 2.179 -16.215 3.149 1.00 1.48 N ATOM 981 NH2 ARG A 153 4.359 -16.913 2.976 1.00 0.84 N ATOM 0 H ARG A 153 4.059 -10.640 -0.410 1.00 0.10 H new ATOM 0 HA ARG A 153 2.297 -12.026 -2.055 1.00 0.12 H new ATOM 0 HB2 ARG A 153 2.114 -11.348 0.901 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.064 -12.497 0.095 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.081 -13.865 -0.503 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.078 -12.742 0.401 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.715 -13.197 2.448 1.00 0.26 H new ATOM 0 HD3 ARG A 153 1.743 -14.338 1.539 1.00 0.26 H new ATOM 0 HE ARG A 153 4.637 -14.893 1.545 1.00 0.38 H new ATOM 0 HH11 ARG A 153 1.444 -15.545 2.923 1.00 1.48 H new ATOM 0 HH12 ARG A 153 1.968 -17.028 3.728 1.00 1.48 H new ATOM 0 HH21 ARG A 153 5.305 -16.781 2.617 1.00 0.84 H new ATOM 0 HH22 ARG A 153 4.142 -17.724 3.555 1.00 0.84 H new ATOM 995 N ALA A 154 1.082 -9.235 -0.753 1.00 0.09 N ATOM 996 CA ALA A 154 0.016 -8.249 -0.874 1.00 0.09 C ATOM 997 C ALA A 154 -0.049 -7.700 -2.291 1.00 0.09 C ATOM 998 O ALA A 154 -1.129 -7.478 -2.833 1.00 0.10 O ATOM 999 CB ALA A 154 0.212 -7.120 0.126 1.00 0.10 C ATOM 0 H ALA A 154 1.831 -8.971 -0.113 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.930 -8.743 -0.653 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.595 -6.395 0.019 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.204 -7.525 1.138 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.168 -6.630 -0.061 1.00 0.10 H new ATOM 1005 N ILE A 155 1.117 -7.496 -2.889 1.00 0.09 N ATOM 1006 CA ILE A 155 1.209 -6.994 -4.251 1.00 0.10 C ATOM 1007 C ILE A 155 0.545 -7.951 -5.235 1.00 0.11 C ATOM 1008 O ILE A 155 -0.296 -7.544 -6.030 1.00 0.14 O ATOM 1009 CB ILE A 155 2.676 -6.759 -4.661 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.291 -5.672 -3.782 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.771 -6.379 -6.133 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.765 -5.451 -4.028 1.00 0.15 C ATOM 0 H ILE A 155 2.019 -7.673 -2.447 1.00 0.09 H new ATOM 0 HA ILE A 155 0.682 -6.040 -4.280 1.00 0.10 H new ATOM 0 HB ILE A 155 3.233 -7.685 -4.518 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.759 -4.736 -3.952 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.142 -5.937 -2.735 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.815 -6.218 -6.401 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.360 -7.183 -6.744 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.206 -5.464 -6.310 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.130 -4.665 -3.367 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.309 -6.374 -3.829 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.920 -5.154 -5.065 1.00 0.15 H new ATOM 1024 N GLU A 156 0.921 -9.220 -5.181 1.00 0.11 N ATOM 1025 CA GLU A 156 0.341 -10.218 -6.072 1.00 0.13 C ATOM 1026 C GLU A 156 -1.147 -10.407 -5.820 1.00 0.12 C ATOM 1027 O GLU A 156 -1.946 -10.483 -6.755 1.00 0.15 O ATOM 1028 CB GLU A 156 1.049 -11.576 -5.958 1.00 0.17 C ATOM 1029 CG GLU A 156 1.546 -11.934 -4.567 1.00 0.21 C ATOM 1030 CD GLU A 156 2.014 -13.365 -4.474 1.00 0.62 C ATOM 1031 OE1 GLU A 156 1.169 -14.278 -4.553 1.00 1.08 O ATOM 1032 OE2 GLU A 156 3.231 -13.585 -4.321 1.00 0.63 O ATOM 0 H GLU A 156 1.621 -9.583 -4.534 1.00 0.11 H new ATOM 0 HA GLU A 156 0.483 -9.833 -7.082 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.363 -12.354 -6.292 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.897 -11.584 -6.642 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.365 -11.268 -4.294 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.747 -11.768 -3.845 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.509 -10.472 -4.558 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.847 -10.869 -4.173 1.00 0.10 C ATOM 1041 C LYS A 157 -3.859 -9.723 -4.256 1.00 0.08 C ATOM 1042 O LYS A 157 -4.993 -9.927 -4.687 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.816 -11.438 -2.757 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.637 -12.707 -2.602 1.00 0.17 C ATOM 1045 CD LYS A 157 -5.086 -12.518 -3.050 1.00 0.21 C ATOM 1046 CE LYS A 157 -5.983 -11.948 -1.953 1.00 0.29 C ATOM 1047 NZ LYS A 157 -6.056 -12.841 -0.769 1.00 1.16 N ATOM 0 H LYS A 157 -0.892 -10.254 -3.776 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.178 -11.628 -4.882 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.783 -11.646 -2.479 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.188 -10.685 -2.062 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.180 -13.506 -3.185 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.620 -13.023 -1.559 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.109 -11.852 -3.913 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.487 -13.477 -3.377 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.605 -10.972 -1.647 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -6.986 -11.791 -2.351 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -7.045 -13.116 -0.602 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -5.484 -13.693 -0.941 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.690 -12.341 0.066 1.00 1.16 H new ATOM 1061 N MET A 158 -3.460 -8.526 -3.865 1.00 0.07 N ATOM 1062 CA MET A 158 -4.407 -7.416 -3.791 1.00 0.08 C ATOM 1063 C MET A 158 -4.477 -6.635 -5.088 1.00 0.09 C ATOM 1064 O MET A 158 -5.454 -5.928 -5.334 1.00 0.13 O ATOM 1065 CB MET A 158 -4.066 -6.472 -2.641 1.00 0.09 C ATOM 1066 CG MET A 158 -4.263 -7.095 -1.278 1.00 0.10 C ATOM 1067 SD MET A 158 -5.943 -7.705 -1.035 1.00 0.35 S ATOM 1068 CE MET A 158 -6.881 -6.195 -1.244 1.00 0.18 C ATOM 0 H MET A 158 -2.504 -8.294 -3.597 1.00 0.07 H new ATOM 0 HA MET A 158 -5.386 -7.860 -3.610 1.00 0.08 H new ATOM 0 HB2 MET A 158 -3.029 -6.150 -2.739 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.686 -5.579 -2.718 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.559 -7.918 -1.153 1.00 0.10 H new ATOM 0 HG3 MET A 158 -4.032 -6.358 -0.508 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.927 -6.380 -1.001 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.485 -5.426 -0.581 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.803 -5.858 -2.278 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.450 -6.746 -5.914 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.455 -6.060 -7.192 1.00 0.10 C ATOM 1080 C ASN A 159 -4.571 -6.635 -8.064 1.00 0.13 C ATOM 1081 O ASN A 159 -4.625 -7.846 -8.290 1.00 0.16 O ATOM 1082 CB ASN A 159 -2.098 -6.221 -7.889 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.965 -5.428 -9.181 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.928 -5.220 -9.918 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.755 -4.973 -9.463 1.00 0.38 N ATOM 0 H ASN A 159 -2.613 -7.297 -5.725 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.631 -4.996 -7.032 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.310 -5.911 -7.202 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.936 -7.277 -8.105 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.599 -4.432 -10.313 1.00 0.38 H new ATOM 0 HD22 ASN A 159 0.022 -5.164 -8.830 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.464 -5.775 -8.529 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.536 -6.222 -9.393 1.00 0.19 C ATOM 1094 C GLY A 160 -7.725 -6.773 -8.625 1.00 0.22 C ATOM 1095 O GLY A 160 -8.472 -7.605 -9.141 1.00 0.29 O ATOM 0 H GLY A 160 -5.466 -4.776 -8.324 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.866 -5.389 -10.014 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -6.157 -6.991 -10.066 1.00 0.19 H new ATOM 1099 N MET A 161 -7.896 -6.320 -7.391 1.00 0.22 N ATOM 1100 CA MET A 161 -9.034 -6.722 -6.576 1.00 0.27 C ATOM 1101 C MET A 161 -9.954 -5.540 -6.313 1.00 0.24 C ATOM 1102 O MET A 161 -9.520 -4.393 -6.359 1.00 0.23 O ATOM 1103 CB MET A 161 -8.552 -7.314 -5.259 1.00 0.32 C ATOM 1104 CG MET A 161 -8.416 -8.823 -5.305 1.00 0.68 C ATOM 1105 SD MET A 161 -10.005 -9.640 -5.546 1.00 1.18 S ATOM 1106 CE MET A 161 -9.492 -11.102 -6.437 1.00 1.04 C ATOM 0 H MET A 161 -7.258 -5.671 -6.931 1.00 0.22 H new ATOM 0 HA MET A 161 -9.596 -7.480 -7.122 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.588 -6.875 -5.000 1.00 0.32 H new ATOM 0 HB3 MET A 161 -9.249 -7.041 -4.467 1.00 0.32 H new ATOM 0 HG2 MET A 161 -7.740 -9.101 -6.113 1.00 0.68 H new ATOM 0 HG3 MET A 161 -7.965 -9.174 -4.377 1.00 0.68 H new ATOM 0 HE1 MET A 161 -10.364 -11.716 -6.662 1.00 1.04 H new ATOM 0 HE2 MET A 161 -9.005 -10.809 -7.367 1.00 1.04 H new ATOM 0 HE3 MET A 161 -8.794 -11.674 -5.826 1.00 1.04 H new ATOM 1116 N LEU A 162 -11.216 -5.824 -6.018 1.00 0.26 N ATOM 1117 CA LEU A 162 -12.193 -4.783 -5.765 1.00 0.26 C ATOM 1118 C LEU A 162 -12.305 -4.548 -4.288 1.00 0.28 C ATOM 1119 O LEU A 162 -12.803 -5.399 -3.554 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.587 -5.148 -6.284 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.825 -4.994 -7.782 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -15.288 -5.226 -8.087 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.429 -3.613 -8.246 1.00 0.34 C ATOM 0 H LEU A 162 -11.584 -6.773 -5.949 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.847 -3.893 -6.290 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.790 -6.184 -6.013 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.317 -4.532 -5.759 1.00 0.31 H new ATOM 0 HG LEU A 162 -13.215 -5.728 -8.308 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -15.458 -5.116 -9.158 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -15.569 -6.232 -7.776 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.892 -4.497 -7.547 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.607 -3.524 -9.318 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -14.022 -2.867 -7.717 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.372 -3.449 -8.039 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.847 -3.411 -3.837 1.00 0.25 N ATOM 1136 CA LEU A 163 -12.048 -3.060 -2.465 1.00 0.33 C ATOM 1137 C LEU A 163 -13.264 -2.158 -2.342 1.00 0.45 C ATOM 1138 O LEU A 163 -13.206 -0.973 -2.673 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.805 -2.407 -1.860 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.721 -3.388 -1.408 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.516 -2.641 -0.861 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.278 -4.339 -0.357 1.00 0.34 C ATOM 0 H LEU A 163 -11.340 -2.723 -4.394 1.00 0.25 H new ATOM 0 HA LEU A 163 -12.228 -3.973 -1.897 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.376 -1.726 -2.595 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -11.109 -1.803 -1.005 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.399 -3.970 -2.272 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.757 -3.357 -0.545 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.105 -1.995 -1.637 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.820 -2.035 -0.008 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.497 -5.032 -0.043 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.623 -3.767 0.504 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -11.112 -4.899 -0.779 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.381 -2.768 -1.940 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.657 -2.075 -1.716 1.00 0.42 C ATOM 1156 C ASN A 164 -16.397 -1.750 -3.006 1.00 0.45 C ATOM 1157 O ASN A 164 -17.623 -1.653 -3.011 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.471 -0.802 -0.887 1.00 0.49 C ATOM 1159 CG ASN A 164 -15.294 -1.083 0.590 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -15.740 -2.112 1.101 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -14.657 -0.161 1.289 1.00 1.07 N ATOM 0 H ASN A 164 -14.428 -3.770 -1.758 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.274 -2.777 -1.155 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.601 -0.258 -1.255 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.335 -0.153 -1.027 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.518 -0.286 2.292 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.304 0.676 0.826 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.650 -1.625 -4.086 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.197 -1.226 -5.392 1.00 0.44 C ATOM 1170 C ASP A 165 -15.095 -0.925 -6.403 1.00 0.43 C ATOM 1171 O ASP A 165 -15.304 -1.015 -7.612 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.089 0.017 -5.250 1.00 0.55 C ATOM 1173 CG ASP A 165 -17.651 0.504 -6.573 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.479 -0.215 -7.177 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -17.254 1.599 -7.027 1.00 0.85 O ATOM 0 H ASP A 165 -14.644 -1.795 -4.095 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.786 -2.068 -5.756 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -17.913 -0.211 -4.574 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -16.512 0.820 -4.790 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.917 -0.590 -5.907 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.846 -0.096 -6.760 1.00 0.27 C ATOM 1182 C ARG A 166 -11.714 -1.103 -6.849 1.00 0.24 C ATOM 1183 O ARG A 166 -11.306 -1.681 -5.843 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.312 1.234 -6.232 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.359 2.328 -6.160 1.00 0.27 C ATOM 1186 CD ARG A 166 -12.750 3.640 -5.706 1.00 0.27 C ATOM 1187 NE ARG A 166 -13.750 4.697 -5.583 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.457 5.995 -5.547 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.191 6.389 -5.606 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.428 6.894 -5.439 1.00 0.70 N ATOM 0 H ARG A 166 -13.676 -0.650 -4.918 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.257 0.055 -7.758 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -11.894 1.078 -5.238 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.495 1.567 -6.872 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -13.821 2.458 -7.139 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.150 2.033 -5.470 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.255 3.496 -4.745 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -11.983 3.948 -6.417 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.731 4.425 -5.521 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -11.445 5.698 -5.679 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -11.964 7.383 -5.579 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.400 6.590 -5.383 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.202 7.888 -5.412 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.225 -1.311 -8.061 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.145 -2.253 -8.300 1.00 0.20 C ATOM 1206 C LYS A 167 -8.819 -1.586 -7.978 1.00 0.17 C ATOM 1207 O LYS A 167 -8.435 -0.616 -8.627 1.00 0.22 O ATOM 1208 CB LYS A 167 -10.170 -2.717 -9.760 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.364 -3.982 -10.017 1.00 0.40 C ATOM 1210 CD LYS A 167 -9.596 -4.528 -11.420 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.673 -5.608 -11.440 1.00 0.53 C ATOM 1212 NZ LYS A 167 -10.796 -6.233 -12.781 1.00 1.00 N ATOM 0 H LYS A 167 -11.562 -0.837 -8.899 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.271 -3.126 -7.659 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -11.204 -2.889 -10.059 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.784 -1.917 -10.392 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.303 -3.771 -9.880 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -9.635 -4.741 -9.283 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -9.887 -3.713 -12.083 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -8.664 -4.938 -11.809 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -10.435 -6.374 -10.702 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -11.630 -5.174 -11.151 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -11.537 -6.962 -12.757 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.048 -5.506 -13.481 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -9.890 -6.669 -13.045 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.105 -2.116 -7.004 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.923 -1.442 -6.505 1.00 0.12 C ATOM 1228 C VAL A 168 -5.655 -2.033 -7.081 1.00 0.11 C ATOM 1229 O VAL A 168 -5.565 -3.230 -7.365 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.827 -1.476 -4.961 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.882 -0.585 -4.329 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.944 -2.900 -4.435 1.00 0.13 C ATOM 0 H VAL A 168 -8.320 -3.002 -6.547 1.00 0.13 H new ATOM 0 HA VAL A 168 -7.023 -0.406 -6.827 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.846 -1.092 -4.683 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.792 -0.628 -3.244 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.739 0.442 -4.665 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.873 -0.929 -4.624 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.873 -2.893 -3.347 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.904 -3.320 -4.733 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -6.138 -3.507 -4.847 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.680 -1.165 -7.255 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.392 -1.542 -7.777 1.00 0.12 C ATOM 1244 C PHE A 169 -2.385 -1.545 -6.645 1.00 0.10 C ATOM 1245 O PHE A 169 -2.173 -0.525 -5.998 1.00 0.12 O ATOM 1246 CB PHE A 169 -2.978 -0.553 -8.875 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.551 -0.674 -9.333 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.209 -1.570 -10.332 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.552 0.091 -8.757 1.00 0.18 C ATOM 1250 CE1 PHE A 169 0.101 -1.696 -10.753 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.761 -0.031 -9.172 1.00 0.23 C ATOM 1252 CZ PHE A 169 1.086 -0.874 -10.187 1.00 0.26 C ATOM 0 H PHE A 169 -4.764 -0.172 -7.035 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.436 -2.540 -8.212 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.633 -0.693 -9.735 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.142 0.461 -8.511 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -1.976 -2.178 -10.788 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.801 0.792 -7.974 1.00 0.18 H new ATOM 0 HE1 PHE A 169 0.364 -2.420 -11.510 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.533 0.547 -8.687 1.00 0.23 H new ATOM 0 HZ PHE A 169 2.100 -0.911 -10.557 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.785 -2.691 -6.393 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.768 -2.788 -5.365 1.00 0.10 C ATOM 1264 C VAL A 170 0.558 -3.112 -6.019 1.00 0.11 C ATOM 1265 O VAL A 170 0.666 -4.077 -6.777 1.00 0.13 O ATOM 1266 CB VAL A 170 -1.088 -3.871 -4.307 1.00 0.10 C ATOM 1267 CG1 VAL A 170 -0.055 -3.859 -3.194 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.482 -3.694 -3.731 1.00 0.09 C ATOM 0 H VAL A 170 -1.982 -3.564 -6.883 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.731 -1.830 -4.847 1.00 0.10 H new ATOM 0 HB VAL A 170 -1.052 -4.838 -4.809 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.300 -4.628 -2.462 1.00 0.11 H new ATOM 0 HG12 VAL A 170 0.932 -4.057 -3.612 1.00 0.11 H new ATOM 0 HG13 VAL A 170 -0.055 -2.883 -2.709 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.672 -4.472 -2.992 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.558 -2.716 -3.256 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.218 -3.767 -4.531 1.00 0.09 H new ATOM 1278 N GLY A 171 1.549 -2.289 -5.746 1.00 0.12 N ATOM 1279 CA GLY A 171 2.854 -2.486 -6.325 1.00 0.14 C ATOM 1280 C GLY A 171 3.948 -2.076 -5.378 1.00 0.14 C ATOM 1281 O GLY A 171 3.686 -1.783 -4.208 1.00 0.18 O ATOM 0 H GLY A 171 1.473 -1.481 -5.128 1.00 0.12 H new ATOM 0 HA2 GLY A 171 2.979 -3.535 -6.594 1.00 0.14 H new ATOM 0 HA3 GLY A 171 2.935 -1.909 -7.246 1.00 0.14 H new ATOM 1285 N ARG A 172 5.167 -2.032 -5.879 1.00 0.18 N ATOM 1286 CA ARG A 172 6.306 -1.661 -5.061 1.00 0.19 C ATOM 1287 C ARG A 172 6.215 -0.178 -4.728 1.00 0.22 C ATOM 1288 O ARG A 172 5.738 0.613 -5.545 1.00 0.36 O ATOM 1289 CB ARG A 172 7.616 -1.967 -5.793 1.00 0.23 C ATOM 1290 CG ARG A 172 7.744 -3.405 -6.280 1.00 0.32 C ATOM 1291 CD ARG A 172 8.029 -4.380 -5.151 1.00 0.39 C ATOM 1292 NE ARG A 172 7.869 -5.763 -5.589 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.433 -6.802 -4.988 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.273 -6.610 -3.980 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.157 -8.031 -5.400 1.00 1.93 N ATOM 0 H ARG A 172 5.395 -2.249 -6.849 1.00 0.18 H new ATOM 0 HA ARG A 172 6.294 -2.242 -4.139 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.705 -1.297 -6.648 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.450 -1.746 -5.127 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.823 -3.697 -6.784 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.544 -3.465 -7.018 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.044 -4.228 -4.784 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.356 -4.181 -4.317 1.00 0.39 H new ATOM 0 HE ARG A 172 7.288 -5.941 -6.408 1.00 1.03 H new ATOM 0 HH11 ARG A 172 9.486 -5.663 -3.667 1.00 1.34 H new ATOM 0 HH12 ARG A 172 9.707 -7.409 -3.518 1.00 1.34 H new ATOM 0 HH21 ARG A 172 7.512 -8.176 -6.177 1.00 1.93 H new ATOM 0 HH22 ARG A 172 8.589 -8.832 -4.940 1.00 1.93 H new