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 109 SER OG : rot -97:sc= 1.23 USER MOD Set 1.2: A 164 ASN : amide:sc= 0.399 K(o=1.6,f=1.1) USER MOD Set 2.1: A 100 ASN :FLIP amide:sc= -2.52 F(o=-8.9!,f=-4.9) USER MOD Set 2.2: A 144 HIS : no HE2:sc= -2.38 K(o=-4.9,f=-6.8!) USER MOD Single : A 104 LYS NZ :NH3+ 167:sc= -0.0147 (180deg=-0.159) USER MOD Single : A 105 ASN : amide:sc= 1.2 K(o=1.2,f=-1.1) USER MOD Single : A 108 LYS NZ :NH3+ 163:sc= -0.0604 (180deg=-0.44) USER MOD Single : A 112 ASN : amide:sc= 1.04 K(o=1,f=-5.3!) USER MOD Single : A 113 LYS NZ :NH3+ -133:sc= -0.26 (180deg=-1.08) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 120 SER OG : rot 148:sc= 0.119 USER MOD Single : A 124 ASN : amide:sc= 1.25 K(o=1.2,f=-0.98) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 127:sc= -3.45! 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 USER MOD Single : A 148 GLN : amide:sc= -0.666 X(o=-0.67,f=-0.73) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl -171:sc= -0.63 (180deg=-0.929) USER MOD Single : A 159 ASN : amide:sc= -0.352 K(o=-0.35,f=-5!) USER MOD Single : A 161 MET CE :methyl -110:sc= -0.181 (180deg=-0.464) USER MOD Single : A 167 LYS NZ :NH3+ -152:sc= 1.22 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.034 -1.498 4.737 1.00 0.29 N ATOM 141 CA VAL A 98 10.836 -2.945 4.570 1.00 0.33 C ATOM 142 C VAL A 98 9.366 -3.315 4.460 1.00 0.25 C ATOM 143 O VAL A 98 8.552 -2.967 5.313 1.00 0.27 O ATOM 144 CB VAL A 98 11.487 -3.786 5.684 1.00 0.49 C ATOM 145 CG1 VAL A 98 10.997 -5.226 5.618 1.00 0.47 C ATOM 146 CG2 VAL A 98 12.994 -3.752 5.558 1.00 0.71 C ATOM 0 HA VAL A 98 11.338 -3.184 3.633 1.00 0.33 H new ATOM 0 HB VAL A 98 11.202 -3.359 6.646 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.467 -5.807 6.412 1.00 0.47 H new ATOM 0 HG12 VAL A 98 9.915 -5.248 5.744 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.259 -5.655 4.651 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.439 -4.351 6.352 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.287 -4.158 4.590 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.343 -2.723 5.641 1.00 0.71 H new ATOM 156 N GLY A 99 9.031 -4.028 3.396 1.00 0.21 N ATOM 157 CA GLY A 99 7.663 -4.442 3.203 1.00 0.20 C ATOM 158 C GLY A 99 6.787 -3.279 2.800 1.00 0.15 C ATOM 159 O GLY A 99 5.581 -3.287 3.025 1.00 0.18 O ATOM 0 H GLY A 99 9.680 -4.325 2.667 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.620 -5.215 2.436 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.282 -4.885 4.123 1.00 0.20 H new ATOM 163 N ASN A 100 7.409 -2.265 2.219 1.00 0.13 N ATOM 164 CA ASN A 100 6.719 -1.022 1.897 1.00 0.14 C ATOM 165 C ASN A 100 6.103 -1.146 0.509 1.00 0.14 C ATOM 166 O ASN A 100 6.804 -1.453 -0.460 1.00 0.19 O ATOM 167 CB ASN A 100 7.740 0.127 1.938 1.00 0.21 C ATOM 168 CG ASN A 100 8.299 0.387 3.321 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.064 -0.529 4.254 1.00 0.63 O flip ATOM 170 ND2 ASN A 100 8.911 1.427 3.560 1.00 0.20 N flip ATOM 0 H ASN A 100 8.395 -2.277 1.959 1.00 0.13 H new ATOM 0 HA ASN A 100 5.925 -0.820 2.616 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.562 -0.103 1.260 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.267 1.037 1.569 1.00 0.21 H new ATOM 0 HD21 ASN A 100 9.072 2.107 2.816 1.00 0.20 H new ATOM 0 HD22 ASN A 100 9.258 1.610 4.502 1.00 0.20 H new ATOM 177 N ILE A 101 4.800 -0.921 0.415 1.00 0.12 N ATOM 178 CA ILE A 101 4.091 -0.986 -0.860 1.00 0.13 C ATOM 179 C ILE A 101 3.128 0.185 -0.991 1.00 0.12 C ATOM 180 O ILE A 101 2.803 0.833 0.006 1.00 0.15 O ATOM 181 CB ILE A 101 3.305 -2.308 -1.024 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.234 -2.439 0.061 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.251 -3.500 -0.995 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.470 -3.745 0.017 1.00 0.13 C ATOM 0 H ILE A 101 4.207 -0.690 1.212 1.00 0.12 H new ATOM 0 HA ILE A 101 4.846 -0.939 -1.645 1.00 0.13 H new ATOM 0 HB ILE A 101 2.806 -2.292 -1.993 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.707 -2.339 1.038 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.529 -1.614 -0.037 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.680 -4.421 -1.112 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.970 -3.414 -1.809 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.781 -3.520 -0.043 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.730 -3.761 0.817 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.966 -3.840 -0.945 1.00 0.13 H new ATOM 0 HD13 ILE A 101 2.163 -4.576 0.147 1.00 0.13 H new ATOM 196 N PHE A 102 2.666 0.450 -2.205 1.00 0.11 N ATOM 197 CA PHE A 102 1.674 1.491 -2.414 1.00 0.11 C ATOM 198 C PHE A 102 0.463 0.923 -3.147 1.00 0.09 C ATOM 199 O PHE A 102 0.591 0.038 -3.998 1.00 0.11 O ATOM 200 CB PHE A 102 2.283 2.695 -3.159 1.00 0.16 C ATOM 201 CG PHE A 102 1.845 2.870 -4.589 1.00 0.13 C ATOM 202 CD1 PHE A 102 0.738 3.648 -4.893 1.00 0.14 C ATOM 203 CD2 PHE A 102 2.552 2.283 -5.628 1.00 0.17 C ATOM 204 CE1 PHE A 102 0.338 3.830 -6.200 1.00 0.17 C ATOM 205 CE2 PHE A 102 2.159 2.466 -6.938 1.00 0.21 C ATOM 206 CZ PHE A 102 1.050 3.239 -7.226 1.00 0.20 C ATOM 0 H PHE A 102 2.960 -0.037 -3.052 1.00 0.11 H new ATOM 0 HA PHE A 102 1.338 1.855 -1.443 1.00 0.11 H new ATOM 0 HB2 PHE A 102 2.034 3.602 -2.609 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.369 2.599 -3.140 1.00 0.16 H new ATOM 0 HD1 PHE A 102 0.182 4.118 -4.095 1.00 0.14 H new ATOM 0 HD2 PHE A 102 3.419 1.677 -5.410 1.00 0.17 H new ATOM 0 HE1 PHE A 102 -0.530 4.433 -6.421 1.00 0.17 H new ATOM 0 HE2 PHE A 102 2.718 2.005 -7.739 1.00 0.21 H new ATOM 0 HZ PHE A 102 0.741 3.381 -8.251 1.00 0.20 H new ATOM 216 N ILE A 103 -0.709 1.420 -2.781 1.00 0.08 N ATOM 217 CA ILE A 103 -1.969 0.966 -3.350 1.00 0.08 C ATOM 218 C ILE A 103 -2.676 2.129 -4.037 1.00 0.08 C ATOM 219 O ILE A 103 -2.688 3.243 -3.519 1.00 0.15 O ATOM 220 CB ILE A 103 -2.893 0.402 -2.254 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.177 -0.679 -1.446 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.167 -0.165 -2.866 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.538 -0.658 0.018 1.00 0.09 C ATOM 0 H ILE A 103 -0.813 2.152 -2.078 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.750 0.180 -4.073 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.159 1.220 -1.584 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.422 -1.657 -1.861 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.100 -0.549 -1.551 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.806 -0.558 -2.076 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.696 0.624 -3.402 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.912 -0.967 -3.559 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -1.997 -1.449 0.537 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.268 0.308 0.446 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.610 -0.817 0.131 1.00 0.09 H new ATOM 235 N LYS A 104 -3.259 1.869 -5.196 1.00 0.13 N ATOM 236 CA LYS A 104 -3.954 2.902 -5.952 1.00 0.13 C ATOM 237 C LYS A 104 -5.420 2.533 -6.139 1.00 0.12 C ATOM 238 O LYS A 104 -5.770 1.354 -6.112 1.00 0.14 O ATOM 239 CB LYS A 104 -3.304 3.060 -7.325 1.00 0.19 C ATOM 240 CG LYS A 104 -3.446 4.453 -7.929 1.00 0.28 C ATOM 241 CD LYS A 104 -2.602 4.619 -9.191 1.00 0.39 C ATOM 242 CE LYS A 104 -3.191 3.888 -10.395 1.00 0.66 C ATOM 243 NZ LYS A 104 -4.480 4.488 -10.842 1.00 1.46 N ATOM 0 H LYS A 104 -3.265 0.949 -5.636 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.888 3.838 -5.397 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.244 2.819 -7.242 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.744 2.334 -8.008 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.493 4.640 -8.166 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -3.148 5.199 -7.193 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.510 5.680 -9.425 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.595 4.246 -9.002 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -2.476 3.912 -11.218 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -3.349 2.840 -10.140 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -4.732 4.112 -11.778 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -5.229 4.250 -10.161 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -4.380 5.522 -10.899 1.00 1.46 H new ATOM 257 N ASN A 105 -6.259 3.553 -6.311 1.00 0.12 N ATOM 258 CA ASN A 105 -7.665 3.385 -6.693 1.00 0.13 C ATOM 259 C ASN A 105 -8.498 2.827 -5.543 1.00 0.15 C ATOM 260 O ASN A 105 -9.451 2.075 -5.756 1.00 0.25 O ATOM 261 CB ASN A 105 -7.790 2.478 -7.920 1.00 0.16 C ATOM 262 CG ASN A 105 -9.037 2.778 -8.728 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.434 3.936 -8.863 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.669 1.745 -9.257 1.00 0.34 N ATOM 0 H ASN A 105 -5.983 4.527 -6.189 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.053 4.373 -6.942 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -6.911 2.602 -8.552 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.808 1.436 -7.600 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.519 1.891 -9.801 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.306 0.801 -9.121 1.00 0.34 H new ATOM 271 N LEU A 106 -8.156 3.223 -4.325 1.00 0.14 N ATOM 272 CA LEU A 106 -8.906 2.804 -3.150 1.00 0.17 C ATOM 273 C LEU A 106 -10.230 3.545 -3.056 1.00 0.22 C ATOM 274 O LEU A 106 -10.412 4.605 -3.661 1.00 0.26 O ATOM 275 CB LEU A 106 -8.090 3.029 -1.877 1.00 0.16 C ATOM 276 CG LEU A 106 -6.999 1.989 -1.631 1.00 0.14 C ATOM 277 CD1 LEU A 106 -5.948 2.526 -0.686 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.608 0.721 -1.056 1.00 0.16 C ATOM 0 H LEU A 106 -7.364 3.834 -4.125 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.112 1.738 -3.251 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.629 4.016 -1.926 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.767 3.035 -1.023 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.523 1.761 -2.585 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.181 1.768 -0.526 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.492 3.417 -1.117 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.412 2.780 0.267 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -6.822 -0.015 -0.884 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.103 0.951 -0.112 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.336 0.316 -1.759 1.00 0.16 H new ATOM 290 N ASP A 107 -11.149 2.976 -2.294 1.00 0.27 N ATOM 291 CA ASP A 107 -12.472 3.553 -2.126 1.00 0.32 C ATOM 292 C ASP A 107 -12.480 4.483 -0.920 1.00 0.30 C ATOM 293 O ASP A 107 -11.651 4.341 -0.021 1.00 0.26 O ATOM 294 CB ASP A 107 -13.512 2.440 -1.950 1.00 0.37 C ATOM 295 CG ASP A 107 -14.937 2.955 -2.001 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.462 3.373 -0.950 1.00 0.71 O ATOM 297 OD2 ASP A 107 -15.535 2.947 -3.093 1.00 0.62 O ATOM 0 H ASP A 107 -11.001 2.108 -1.778 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.727 4.129 -3.015 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.373 1.692 -2.730 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.345 1.940 -0.996 1.00 0.37 H new ATOM 302 N LYS A 108 -13.411 5.430 -0.909 1.00 0.38 N ATOM 303 CA LYS A 108 -13.524 6.391 0.187 1.00 0.43 C ATOM 304 C LYS A 108 -13.801 5.687 1.515 1.00 0.36 C ATOM 305 O LYS A 108 -13.430 6.181 2.580 1.00 0.46 O ATOM 306 CB LYS A 108 -14.636 7.404 -0.092 1.00 0.55 C ATOM 307 CG LYS A 108 -16.017 6.782 -0.230 1.00 0.57 C ATOM 308 CD LYS A 108 -17.108 7.790 0.069 1.00 0.90 C ATOM 309 CE LYS A 108 -18.492 7.159 -0.010 1.00 1.21 C ATOM 310 NZ LYS A 108 -18.616 5.976 0.881 1.00 2.20 N ATOM 0 H LYS A 108 -14.102 5.555 -1.649 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.570 6.914 0.259 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.657 8.136 0.715 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.399 7.945 -1.008 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -16.144 6.395 -1.241 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -16.106 5.935 0.450 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -16.955 8.209 1.064 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -17.044 8.617 -0.638 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -19.244 7.899 0.263 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.697 6.861 -1.038 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -19.622 5.752 1.023 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -18.138 5.162 0.445 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -18.175 6.185 1.799 1.00 2.20 H new ATOM 324 N SER A 109 -14.459 4.537 1.437 1.00 0.31 N ATOM 325 CA SER A 109 -14.801 3.755 2.619 1.00 0.40 C ATOM 326 C SER A 109 -13.561 3.194 3.307 1.00 0.34 C ATOM 327 O SER A 109 -13.563 2.964 4.518 1.00 0.43 O ATOM 328 CB SER A 109 -15.729 2.606 2.222 1.00 0.56 C ATOM 329 OG SER A 109 -15.186 1.870 1.141 1.00 1.41 O ATOM 0 H SER A 109 -14.769 4.122 0.558 1.00 0.31 H new ATOM 0 HA SER A 109 -15.303 4.418 3.324 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.883 1.946 3.076 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.706 3.001 1.944 1.00 0.56 H new ATOM 0 HG SER A 109 -15.584 2.181 0.301 1.00 1.41 H new ATOM 335 N ILE A 110 -12.499 2.992 2.538 1.00 0.23 N ATOM 336 CA ILE A 110 -11.320 2.312 3.043 1.00 0.20 C ATOM 337 C ILE A 110 -10.566 3.180 4.043 1.00 0.20 C ATOM 338 O ILE A 110 -10.159 4.301 3.738 1.00 0.26 O ATOM 339 CB ILE A 110 -10.385 1.883 1.892 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.148 0.972 0.923 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.147 1.177 2.430 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.757 -0.245 1.588 1.00 0.23 C ATOM 0 H ILE A 110 -12.433 3.290 1.565 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.660 1.414 3.559 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.053 2.774 1.359 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -11.939 1.548 0.443 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.470 0.644 0.135 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.505 0.885 1.599 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.602 1.851 3.090 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.447 0.289 2.986 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.281 -0.843 0.842 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.968 -0.843 2.044 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.461 0.074 2.357 1.00 0.23 H new ATOM 354 N ASP A 111 -10.412 2.651 5.246 1.00 0.17 N ATOM 355 CA ASP A 111 -9.693 3.330 6.310 1.00 0.18 C ATOM 356 C ASP A 111 -8.407 2.561 6.590 1.00 0.14 C ATOM 357 O ASP A 111 -8.127 1.571 5.911 1.00 0.13 O ATOM 358 CB ASP A 111 -10.570 3.397 7.566 1.00 0.23 C ATOM 359 CG ASP A 111 -10.082 4.405 8.587 1.00 1.01 C ATOM 360 OD1 ASP A 111 -9.243 4.041 9.435 1.00 1.59 O ATOM 361 OD2 ASP A 111 -10.528 5.567 8.538 1.00 1.23 O ATOM 0 H ASP A 111 -10.782 1.738 5.512 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.448 4.350 6.013 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.590 3.650 7.275 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.606 2.411 8.028 1.00 0.23 H new ATOM 366 N ASN A 112 -7.645 2.970 7.595 1.00 0.15 N ATOM 367 CA ASN A 112 -6.372 2.321 7.881 1.00 0.13 C ATOM 368 C ASN A 112 -6.634 0.936 8.418 1.00 0.11 C ATOM 369 O ASN A 112 -5.888 -0.002 8.156 1.00 0.12 O ATOM 370 CB ASN A 112 -5.550 3.110 8.900 1.00 0.16 C ATOM 371 CG ASN A 112 -5.147 4.485 8.399 1.00 0.19 C ATOM 372 OD1 ASN A 112 -5.054 4.721 7.195 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.887 5.402 9.318 1.00 0.55 N ATOM 0 H ASN A 112 -7.882 3.740 8.220 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.801 2.272 6.954 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.127 3.219 9.818 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.653 2.544 9.152 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.599 6.339 9.036 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -4.975 5.171 10.308 1.00 0.55 H new ATOM 380 N LYS A 113 -7.735 0.819 9.140 1.00 0.12 N ATOM 381 CA LYS A 113 -8.152 -0.421 9.715 1.00 0.12 C ATOM 382 C LYS A 113 -8.503 -1.381 8.611 1.00 0.11 C ATOM 383 O LYS A 113 -8.088 -2.523 8.605 1.00 0.11 O ATOM 384 CB LYS A 113 -9.404 -0.156 10.500 1.00 0.15 C ATOM 385 CG LYS A 113 -9.570 -0.973 11.776 1.00 0.28 C ATOM 386 CD LYS A 113 -9.247 -2.461 11.617 1.00 0.54 C ATOM 387 CE LYS A 113 -10.455 -3.310 11.218 1.00 1.63 C ATOM 388 NZ LYS A 113 -11.618 -3.092 12.117 1.00 2.58 N ATOM 0 H LYS A 113 -8.362 1.598 9.338 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.361 -0.835 10.340 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.429 0.902 10.762 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.262 -0.345 9.855 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.925 -0.554 12.549 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.597 -0.871 12.128 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -8.467 -2.577 10.864 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -8.842 -2.839 12.556 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -10.741 -3.072 10.193 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -10.177 -4.364 11.235 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -12.016 -4.011 12.399 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -11.310 -2.573 12.964 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -12.344 -2.539 11.618 1.00 2.58 H new ATOM 402 N ALA A 114 -9.294 -0.874 7.687 1.00 0.11 N ATOM 403 CA ALA A 114 -9.780 -1.653 6.559 1.00 0.12 C ATOM 404 C ALA A 114 -8.626 -2.141 5.701 1.00 0.11 C ATOM 405 O ALA A 114 -8.611 -3.284 5.240 1.00 0.13 O ATOM 406 CB ALA A 114 -10.727 -0.808 5.727 1.00 0.15 C ATOM 0 H ALA A 114 -9.621 0.092 7.695 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.311 -2.525 6.941 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.090 -1.393 4.882 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.571 -0.496 6.342 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.201 0.073 5.359 1.00 0.15 H new ATOM 412 N LEU A 115 -7.657 -1.266 5.500 1.00 0.09 N ATOM 413 CA LEU A 115 -6.472 -1.610 4.743 1.00 0.09 C ATOM 414 C LEU A 115 -5.676 -2.656 5.521 1.00 0.08 C ATOM 415 O LEU A 115 -5.281 -3.687 4.974 1.00 0.09 O ATOM 416 CB LEU A 115 -5.636 -0.343 4.506 1.00 0.10 C ATOM 417 CG LEU A 115 -4.656 -0.384 3.328 1.00 0.11 C ATOM 418 CD1 LEU A 115 -3.935 0.943 3.190 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.647 -1.498 3.491 1.00 0.11 C ATOM 0 H LEU A 115 -7.670 -0.309 5.853 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.744 -2.027 3.773 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.318 0.493 4.354 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.071 -0.132 5.414 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.235 -0.574 2.424 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.243 0.896 2.349 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.662 1.736 3.017 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.380 1.152 4.105 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -2.967 -1.500 2.639 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.079 -1.343 4.409 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.167 -2.455 3.543 1.00 0.11 H new ATOM 431 N TYR A 116 -5.485 -2.398 6.809 1.00 0.08 N ATOM 432 CA TYR A 116 -4.809 -3.339 7.684 1.00 0.09 C ATOM 433 C TYR A 116 -5.545 -4.668 7.716 1.00 0.10 C ATOM 434 O TYR A 116 -4.934 -5.713 7.550 1.00 0.11 O ATOM 435 CB TYR A 116 -4.683 -2.769 9.106 1.00 0.10 C ATOM 436 CG TYR A 116 -4.154 -3.768 10.116 1.00 0.13 C ATOM 437 CD1 TYR A 116 -2.790 -3.892 10.358 1.00 0.19 C ATOM 438 CD2 TYR A 116 -5.021 -4.574 10.840 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.308 -4.788 11.291 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.547 -5.477 11.776 1.00 0.23 C ATOM 441 CZ TYR A 116 -3.178 -5.628 11.941 1.00 0.23 C ATOM 442 OH TYR A 116 -2.709 -6.473 12.926 1.00 0.30 O ATOM 0 H TYR A 116 -5.791 -1.541 7.269 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.807 -3.506 7.288 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.022 -1.903 9.084 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.660 -2.416 9.435 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -2.095 -3.276 9.806 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -6.085 -4.495 10.670 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -1.251 -4.828 11.509 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -5.236 -6.058 12.372 1.00 0.23 H new ATOM 0 HH TYR A 116 -3.453 -7.000 13.287 1.00 0.30 H new ATOM 452 N ASP A 117 -6.860 -4.620 7.883 1.00 0.10 N ATOM 453 CA ASP A 117 -7.659 -5.833 8.004 1.00 0.12 C ATOM 454 C ASP A 117 -7.450 -6.739 6.804 1.00 0.12 C ATOM 455 O ASP A 117 -7.310 -7.956 6.945 1.00 0.15 O ATOM 456 CB ASP A 117 -9.144 -5.474 8.104 1.00 0.16 C ATOM 457 CG ASP A 117 -10.031 -6.696 8.247 1.00 0.27 C ATOM 458 OD1 ASP A 117 -10.453 -7.254 7.212 1.00 0.40 O ATOM 459 OD2 ASP A 117 -10.303 -7.107 9.398 1.00 0.36 O ATOM 0 H ASP A 117 -7.396 -3.754 7.938 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.342 -6.357 8.906 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.298 -4.816 8.959 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.440 -4.917 7.215 1.00 0.16 H new ATOM 464 N THR A 118 -7.404 -6.137 5.631 1.00 0.11 N ATOM 465 CA THR A 118 -7.280 -6.889 4.401 1.00 0.11 C ATOM 466 C THR A 118 -5.843 -7.374 4.166 1.00 0.10 C ATOM 467 O THR A 118 -5.608 -8.568 3.966 1.00 0.12 O ATOM 468 CB THR A 118 -7.737 -6.026 3.213 1.00 0.13 C ATOM 469 OG1 THR A 118 -8.968 -5.365 3.541 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.934 -6.881 1.974 1.00 0.17 C ATOM 0 H THR A 118 -7.451 -5.126 5.506 1.00 0.11 H new ATOM 0 HA THR A 118 -7.917 -7.769 4.488 1.00 0.11 H new ATOM 0 HB THR A 118 -6.966 -5.284 3.006 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.781 -4.586 4.105 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.257 -6.251 1.145 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.994 -7.368 1.715 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.692 -7.638 2.171 1.00 0.17 H new ATOM 478 N PHE A 119 -4.886 -6.450 4.202 1.00 0.08 N ATOM 479 CA PHE A 119 -3.495 -6.770 3.879 1.00 0.08 C ATOM 480 C PHE A 119 -2.810 -7.584 4.984 1.00 0.08 C ATOM 481 O PHE A 119 -1.913 -8.372 4.704 1.00 0.09 O ATOM 482 CB PHE A 119 -2.701 -5.505 3.528 1.00 0.08 C ATOM 483 CG PHE A 119 -3.121 -4.879 2.213 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.398 -4.364 2.061 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.243 -4.793 1.133 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.793 -3.783 0.874 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.637 -4.211 -0.052 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.913 -3.707 -0.183 1.00 0.09 C ATOM 0 H PHE A 119 -5.046 -5.474 4.451 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.512 -7.407 2.994 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.825 -4.773 4.327 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.640 -5.751 3.483 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.095 -4.418 2.884 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.242 -5.187 1.227 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.793 -3.387 0.773 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -1.945 -4.150 -0.879 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.222 -3.253 -1.113 1.00 0.09 H new ATOM 498 N SER A 120 -3.236 -7.400 6.235 1.00 0.09 N ATOM 499 CA SER A 120 -2.634 -8.108 7.371 1.00 0.09 C ATOM 500 C SER A 120 -2.731 -9.622 7.191 1.00 0.08 C ATOM 501 O SER A 120 -1.918 -10.372 7.731 1.00 0.09 O ATOM 502 CB SER A 120 -3.274 -7.691 8.698 1.00 0.13 C ATOM 503 OG SER A 120 -2.650 -8.337 9.794 1.00 0.19 O ATOM 0 H SER A 120 -3.995 -6.768 6.489 1.00 0.09 H new ATOM 0 HA SER A 120 -1.581 -7.829 7.401 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.197 -6.610 8.818 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.336 -7.936 8.685 1.00 0.13 H new ATOM 0 HG SER A 120 -2.667 -7.745 10.575 1.00 0.19 H new ATOM 509 N ALA A 121 -3.746 -10.066 6.460 1.00 0.09 N ATOM 510 CA ALA A 121 -3.916 -11.483 6.150 1.00 0.11 C ATOM 511 C ALA A 121 -2.679 -12.054 5.446 1.00 0.11 C ATOM 512 O ALA A 121 -2.459 -13.264 5.446 1.00 0.13 O ATOM 513 CB ALA A 121 -5.151 -11.679 5.286 1.00 0.14 C ATOM 0 H ALA A 121 -4.469 -9.462 6.068 1.00 0.09 H new ATOM 0 HA ALA A 121 -4.043 -12.023 7.088 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.272 -12.738 5.059 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -6.030 -11.320 5.821 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -5.038 -11.119 4.358 1.00 0.14 H new ATOM 519 N PHE A 122 -1.884 -11.175 4.842 1.00 0.08 N ATOM 520 CA PHE A 122 -0.673 -11.581 4.134 1.00 0.09 C ATOM 521 C PHE A 122 0.543 -11.514 5.054 1.00 0.10 C ATOM 522 O PHE A 122 1.563 -12.157 4.797 1.00 0.18 O ATOM 523 CB PHE A 122 -0.460 -10.680 2.917 1.00 0.09 C ATOM 524 CG PHE A 122 -1.683 -10.573 2.063 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.257 -11.700 1.507 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.236 -9.337 1.792 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.365 -11.598 0.691 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.345 -9.227 0.981 1.00 0.12 C ATOM 529 CZ PHE A 122 -3.989 -10.389 0.537 1.00 0.13 C ATOM 0 H PHE A 122 -2.058 -10.170 4.829 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.794 -12.613 3.804 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.167 -9.685 3.252 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.364 -11.071 2.319 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.834 -12.672 1.713 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.795 -8.448 2.219 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.739 -12.470 0.175 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.714 -8.254 0.691 1.00 0.12 H new ATOM 0 HZ PHE A 122 -4.965 -10.332 0.079 1.00 0.13 H new ATOM 539 N GLY A 123 0.423 -10.738 6.123 1.00 0.09 N ATOM 540 CA GLY A 123 1.508 -10.585 7.068 1.00 0.10 C ATOM 541 C GLY A 123 1.256 -9.440 8.027 1.00 0.09 C ATOM 542 O GLY A 123 0.357 -8.626 7.806 1.00 0.11 O ATOM 0 H GLY A 123 -0.417 -10.207 6.353 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.634 -11.510 7.630 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.439 -10.410 6.529 1.00 0.10 H new ATOM 546 N ASN A 124 2.030 -9.385 9.098 1.00 0.13 N ATOM 547 CA ASN A 124 1.900 -8.316 10.080 1.00 0.14 C ATOM 548 C ASN A 124 2.288 -6.977 9.466 1.00 0.11 C ATOM 549 O ASN A 124 3.243 -6.885 8.695 1.00 0.14 O ATOM 550 CB ASN A 124 2.775 -8.603 11.305 1.00 0.18 C ATOM 551 CG ASN A 124 2.621 -7.550 12.392 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.551 -6.965 12.562 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.689 -7.303 13.137 1.00 0.25 N ATOM 0 H ASN A 124 2.757 -10.068 9.312 1.00 0.13 H new ATOM 0 HA ASN A 124 0.858 -8.268 10.396 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.516 -9.580 11.712 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.820 -8.653 10.997 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.642 -6.608 13.882 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.558 -7.808 12.966 1.00 0.25 H new ATOM 560 N ILE A 125 1.539 -5.946 9.807 1.00 0.11 N ATOM 561 CA ILE A 125 1.779 -4.614 9.286 1.00 0.10 C ATOM 562 C ILE A 125 2.266 -3.698 10.403 1.00 0.11 C ATOM 563 O ILE A 125 1.723 -3.723 11.507 1.00 0.14 O ATOM 564 CB ILE A 125 0.492 -4.033 8.663 1.00 0.11 C ATOM 565 CG1 ILE A 125 0.014 -4.919 7.511 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.713 -2.605 8.186 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.305 -4.477 6.914 1.00 0.11 C ATOM 0 H ILE A 125 0.750 -6.007 10.450 1.00 0.11 H new ATOM 0 HA ILE A 125 2.544 -4.680 8.512 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.281 -4.013 9.431 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.773 -4.925 6.729 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.084 -5.944 7.868 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.209 -2.220 7.751 1.00 0.14 H new ATOM 0 HG22 ILE A 125 1.005 -1.980 9.030 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.502 -2.591 7.434 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.581 -5.151 6.103 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.078 -4.498 7.683 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.207 -3.463 6.526 1.00 0.11 H new ATOM 579 N LEU A 126 3.289 -2.900 10.125 1.00 0.13 N ATOM 580 CA LEU A 126 3.830 -1.994 11.130 1.00 0.15 C ATOM 581 C LEU A 126 3.080 -0.673 11.055 1.00 0.16 C ATOM 582 O LEU A 126 2.692 -0.097 12.072 1.00 0.24 O ATOM 583 CB LEU A 126 5.338 -1.727 10.933 1.00 0.19 C ATOM 584 CG LEU A 126 6.268 -2.941 10.737 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.696 -4.213 11.340 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.600 -3.120 9.265 1.00 0.54 C ATOM 0 H LEU A 126 3.758 -2.861 9.220 1.00 0.13 H new ATOM 0 HA LEU A 126 3.704 -2.466 12.104 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.451 -1.076 10.066 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.694 -1.170 11.799 1.00 0.19 H new ATOM 0 HG LEU A 126 7.193 -2.737 11.277 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.389 -5.038 11.175 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.547 -4.073 12.411 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.741 -4.442 10.868 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.257 -3.981 9.142 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.681 -3.282 8.702 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.100 -2.226 8.893 1.00 0.54 H new ATOM 598 N SER A 127 2.871 -0.214 9.828 1.00 0.14 N ATOM 599 CA SER A 127 2.197 1.046 9.573 1.00 0.17 C ATOM 600 C SER A 127 1.409 0.974 8.267 1.00 0.19 C ATOM 601 O SER A 127 1.991 0.832 7.193 1.00 0.37 O ATOM 602 CB SER A 127 3.221 2.182 9.491 1.00 0.19 C ATOM 603 OG SER A 127 3.942 2.318 10.705 1.00 0.76 O ATOM 0 H SER A 127 3.165 -0.706 8.984 1.00 0.14 H new ATOM 0 HA SER A 127 1.506 1.240 10.394 1.00 0.17 H new ATOM 0 HB2 SER A 127 3.916 1.989 8.673 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.711 3.118 9.262 1.00 0.19 H new ATOM 0 HG SER A 127 4.589 3.050 10.621 1.00 0.76 H new ATOM 609 N CYS A 128 0.096 1.042 8.360 1.00 0.18 N ATOM 610 CA CYS A 128 -0.748 1.104 7.179 1.00 0.17 C ATOM 611 C CYS A 128 -1.385 2.479 7.085 1.00 0.16 C ATOM 612 O CYS A 128 -1.783 3.055 8.100 1.00 0.28 O ATOM 613 CB CYS A 128 -1.825 0.021 7.224 1.00 0.21 C ATOM 614 SG CYS A 128 -2.669 -0.098 8.816 1.00 0.72 S ATOM 0 H CYS A 128 -0.413 1.056 9.244 1.00 0.18 H new ATOM 0 HA CYS A 128 -0.133 0.930 6.296 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.562 0.221 6.446 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.370 -0.942 6.991 1.00 0.21 H new ATOM 0 HG CYS A 128 -3.954 -0.021 8.633 1.00 0.72 H new ATOM 620 N LYS A 129 -1.464 3.012 5.882 1.00 0.13 N ATOM 621 CA LYS A 129 -1.980 4.351 5.695 1.00 0.14 C ATOM 622 C LYS A 129 -2.889 4.428 4.478 1.00 0.12 C ATOM 623 O LYS A 129 -2.522 4.005 3.388 1.00 0.12 O ATOM 624 CB LYS A 129 -0.819 5.338 5.541 1.00 0.18 C ATOM 625 CG LYS A 129 -1.245 6.797 5.433 1.00 0.23 C ATOM 626 CD LYS A 129 -1.682 7.365 6.775 1.00 0.36 C ATOM 627 CE LYS A 129 -2.006 8.850 6.666 1.00 0.47 C ATOM 628 NZ LYS A 129 -2.412 9.431 7.975 1.00 1.00 N ATOM 0 H LYS A 129 -1.179 2.540 5.024 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.569 4.613 6.574 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.150 5.230 6.395 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.247 5.072 4.652 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.417 7.388 5.042 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -2.064 6.883 4.719 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.558 6.824 7.134 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -0.892 7.216 7.511 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -1.135 9.384 6.287 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -2.808 8.994 5.942 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -2.623 10.442 7.855 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -3.259 8.939 8.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -1.638 9.318 8.660 1.00 1.00 H new ATOM 642 N VAL A 130 -4.074 4.964 4.686 1.00 0.15 N ATOM 643 CA VAL A 130 -4.968 5.320 3.607 1.00 0.17 C ATOM 644 C VAL A 130 -5.093 6.816 3.643 1.00 0.20 C ATOM 645 O VAL A 130 -5.679 7.374 4.571 1.00 0.24 O ATOM 646 CB VAL A 130 -6.387 4.716 3.734 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.237 5.114 2.530 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.340 3.206 3.869 1.00 0.21 C ATOM 0 H VAL A 130 -4.445 5.166 5.615 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.552 4.928 2.679 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.841 5.116 4.641 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.233 4.684 2.630 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.314 6.200 2.482 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.771 4.743 1.617 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.354 2.817 3.956 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -5.861 2.777 2.989 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.771 2.938 4.759 1.00 0.21 H new ATOM 658 N VAL A 131 -4.521 7.466 2.672 1.00 0.21 N ATOM 659 CA VAL A 131 -4.504 8.901 2.669 1.00 0.27 C ATOM 660 C VAL A 131 -5.888 9.394 2.300 1.00 0.33 C ATOM 661 O VAL A 131 -6.375 9.155 1.196 1.00 0.33 O ATOM 662 CB VAL A 131 -3.421 9.392 1.707 1.00 0.28 C ATOM 663 CG1 VAL A 131 -3.189 10.886 1.853 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.146 8.611 1.988 1.00 0.25 C ATOM 0 H VAL A 131 -4.061 7.028 1.874 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.258 9.301 3.653 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.741 9.223 0.679 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.414 11.204 1.156 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -4.114 11.421 1.636 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.873 11.107 2.872 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.358 8.945 1.312 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.836 8.780 3.019 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.329 7.548 1.834 1.00 0.25 H new ATOM 766 N GLY A 139 -7.441 8.286 -2.706 1.00 0.27 N ATOM 767 CA GLY A 139 -7.348 7.286 -3.748 1.00 0.26 C ATOM 768 C GLY A 139 -6.217 6.299 -3.551 1.00 0.21 C ATOM 769 O GLY A 139 -6.245 5.206 -4.109 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.290 6.739 -3.799 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.218 7.786 -4.708 1.00 0.26 H new ATOM 773 N TYR A 140 -5.227 6.661 -2.759 1.00 0.19 N ATOM 774 CA TYR A 140 -4.038 5.830 -2.629 1.00 0.15 C ATOM 775 C TYR A 140 -3.709 5.536 -1.172 1.00 0.13 C ATOM 776 O TYR A 140 -4.075 6.293 -0.268 1.00 0.16 O ATOM 777 CB TYR A 140 -2.845 6.494 -3.328 1.00 0.19 C ATOM 778 CG TYR A 140 -2.537 7.892 -2.839 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.264 8.990 -3.291 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.518 8.112 -1.923 1.00 0.31 C ATOM 781 CE1 TYR A 140 -2.978 10.266 -2.842 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.229 9.383 -1.470 1.00 0.39 C ATOM 783 CZ TYR A 140 -1.960 10.455 -1.931 1.00 0.41 C ATOM 784 OH TYR A 140 -1.670 11.720 -1.478 1.00 0.49 O ATOM 0 H TYR A 140 -5.217 7.514 -2.200 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.247 4.876 -3.114 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -1.963 5.870 -3.187 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -3.041 6.531 -4.400 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.063 8.843 -4.003 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -0.942 7.275 -1.559 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.548 11.109 -3.202 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.433 9.536 -0.757 1.00 0.39 H new ATOM 0 HH TYR A 140 -0.927 11.677 -0.841 1.00 0.49 H new ATOM 794 N GLY A 141 -3.020 4.425 -0.961 1.00 0.11 N ATOM 795 CA GLY A 141 -2.640 4.013 0.372 1.00 0.11 C ATOM 796 C GLY A 141 -1.280 3.352 0.382 1.00 0.10 C ATOM 797 O GLY A 141 -0.717 3.077 -0.676 1.00 0.12 O ATOM 0 H GLY A 141 -2.714 3.794 -1.702 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.629 4.880 1.032 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.385 3.321 0.766 1.00 0.11 H new ATOM 801 N PHE A 142 -0.750 3.099 1.569 1.00 0.10 N ATOM 802 CA PHE A 142 0.580 2.516 1.713 1.00 0.10 C ATOM 803 C PHE A 142 0.592 1.479 2.835 1.00 0.10 C ATOM 804 O PHE A 142 -0.023 1.689 3.883 1.00 0.14 O ATOM 805 CB PHE A 142 1.612 3.608 2.023 1.00 0.12 C ATOM 806 CG PHE A 142 1.632 4.743 1.031 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.206 4.574 -0.216 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.080 5.978 1.348 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.232 5.609 -1.131 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.105 7.016 0.435 1.00 0.25 C ATOM 811 CZ PHE A 142 1.682 6.831 -0.805 1.00 0.22 C ATOM 0 H PHE A 142 -1.222 3.289 2.453 1.00 0.10 H new ATOM 0 HA PHE A 142 0.839 2.030 0.772 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.409 4.012 3.015 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.603 3.155 2.059 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.640 3.620 -0.478 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.627 6.129 2.317 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.683 5.461 -2.101 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.673 7.972 0.692 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.703 7.641 -1.519 1.00 0.22 H new ATOM 821 N VAL A 143 1.266 0.353 2.612 1.00 0.08 N ATOM 822 CA VAL A 143 1.440 -0.649 3.662 1.00 0.08 C ATOM 823 C VAL A 143 2.899 -0.781 4.056 1.00 0.08 C ATOM 824 O VAL A 143 3.791 -0.795 3.206 1.00 0.09 O ATOM 825 CB VAL A 143 0.945 -2.048 3.236 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.045 -3.049 4.389 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.474 -1.975 2.723 1.00 0.10 C ATOM 0 H VAL A 143 1.698 0.112 1.720 1.00 0.08 H new ATOM 0 HA VAL A 143 0.842 -0.297 4.503 1.00 0.08 H new ATOM 0 HB VAL A 143 1.591 -2.398 2.431 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.689 -4.024 4.056 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.083 -3.132 4.710 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.434 -2.705 5.224 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.806 -2.970 2.427 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.126 -1.594 3.509 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.516 -1.308 1.862 1.00 0.10 H new ATOM 837 N HIS A 144 3.136 -0.848 5.351 1.00 0.09 N ATOM 838 CA HIS A 144 4.419 -1.270 5.870 1.00 0.10 C ATOM 839 C HIS A 144 4.298 -2.685 6.399 1.00 0.10 C ATOM 840 O HIS A 144 3.717 -2.899 7.458 1.00 0.11 O ATOM 841 CB HIS A 144 4.867 -0.347 6.999 1.00 0.12 C ATOM 842 CG HIS A 144 5.809 0.715 6.562 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.677 1.349 7.418 1.00 0.18 N ATOM 844 CD2 HIS A 144 6.034 1.238 5.343 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.401 2.215 6.744 1.00 0.21 C ATOM 846 NE2 HIS A 144 7.026 2.177 5.482 1.00 0.21 N ATOM 0 H HIS A 144 2.449 -0.613 6.068 1.00 0.09 H new ATOM 0 HA HIS A 144 5.157 -1.229 5.069 1.00 0.10 H new ATOM 0 HB2 HIS A 144 3.989 0.119 7.445 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.342 -0.944 7.778 1.00 0.12 H new ATOM 0 HD1 HIS A 144 6.748 1.175 8.420 1.00 0.18 H new ATOM 0 HD2 HIS A 144 5.529 0.970 4.427 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.172 2.850 7.155 1.00 0.21 H new ATOM 855 N PHE A 145 4.836 -3.646 5.676 1.00 0.10 N ATOM 856 CA PHE A 145 4.784 -5.026 6.122 1.00 0.10 C ATOM 857 C PHE A 145 5.990 -5.367 6.964 1.00 0.13 C ATOM 858 O PHE A 145 7.112 -4.973 6.653 1.00 0.17 O ATOM 859 CB PHE A 145 4.683 -5.995 4.949 1.00 0.10 C ATOM 860 CG PHE A 145 3.277 -6.276 4.520 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.452 -7.079 5.285 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.776 -5.724 3.352 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.154 -7.329 4.894 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.478 -5.971 2.957 1.00 0.10 C ATOM 865 CZ PHE A 145 0.677 -6.820 3.723 1.00 0.10 C ATOM 0 H PHE A 145 5.310 -3.501 4.785 1.00 0.10 H new ATOM 0 HA PHE A 145 3.885 -5.131 6.729 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.237 -5.587 4.103 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.165 -6.934 5.222 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.828 -7.515 6.199 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.409 -5.094 2.745 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.511 -7.931 5.519 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.084 -5.511 2.062 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.318 -7.073 3.388 1.00 0.10 H new ATOM 875 N GLU A 146 5.726 -6.086 8.039 1.00 0.13 N ATOM 876 CA GLU A 146 6.769 -6.535 8.962 1.00 0.17 C ATOM 877 C GLU A 146 7.924 -7.162 8.199 1.00 0.19 C ATOM 878 O GLU A 146 9.096 -6.869 8.449 1.00 0.22 O ATOM 879 CB GLU A 146 6.197 -7.557 9.943 1.00 0.22 C ATOM 880 CG GLU A 146 7.191 -8.023 10.993 1.00 0.30 C ATOM 881 CD GLU A 146 6.635 -9.128 11.858 1.00 0.37 C ATOM 882 OE1 GLU A 146 5.963 -8.819 12.866 1.00 0.38 O ATOM 883 OE2 GLU A 146 6.869 -10.311 11.539 1.00 0.57 O ATOM 0 H GLU A 146 4.785 -6.379 8.303 1.00 0.13 H new ATOM 0 HA GLU A 146 7.135 -5.668 9.511 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.332 -7.122 10.443 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.840 -8.422 9.385 1.00 0.22 H new ATOM 0 HG2 GLU A 146 8.099 -8.372 10.501 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.474 -7.179 11.622 1.00 0.30 H new ATOM 890 N THR A 147 7.571 -8.016 7.263 1.00 0.22 N ATOM 891 CA THR A 147 8.546 -8.691 6.428 1.00 0.26 C ATOM 892 C THR A 147 8.421 -8.249 4.974 1.00 0.23 C ATOM 893 O THR A 147 7.330 -7.925 4.497 1.00 0.21 O ATOM 894 CB THR A 147 8.401 -10.222 6.508 1.00 0.33 C ATOM 895 OG1 THR A 147 7.034 -10.603 6.311 1.00 0.40 O ATOM 896 CG2 THR A 147 8.892 -10.753 7.843 1.00 0.35 C ATOM 0 H THR A 147 6.603 -8.263 7.058 1.00 0.22 H new ATOM 0 HA THR A 147 9.530 -8.414 6.806 1.00 0.26 H new ATOM 0 HB THR A 147 9.015 -10.655 5.719 1.00 0.33 H new ATOM 0 HG1 THR A 147 6.956 -11.579 6.362 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.776 -11.837 7.868 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.944 -10.497 7.972 1.00 0.35 H new ATOM 0 HG23 THR A 147 8.309 -10.307 8.649 1.00 0.35 H new ATOM 904 N GLN A 148 9.548 -8.242 4.279 1.00 0.24 N ATOM 905 CA GLN A 148 9.600 -7.835 2.883 1.00 0.23 C ATOM 906 C GLN A 148 8.779 -8.782 2.003 1.00 0.21 C ATOM 907 O GLN A 148 8.133 -8.346 1.048 1.00 0.21 O ATOM 908 CB GLN A 148 11.062 -7.808 2.419 1.00 0.28 C ATOM 909 CG GLN A 148 11.279 -7.193 1.047 1.00 0.31 C ATOM 910 CD GLN A 148 10.781 -5.764 0.965 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.507 -4.814 1.253 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.532 -5.605 0.578 1.00 0.38 N ATOM 0 H GLN A 148 10.451 -8.518 4.666 1.00 0.24 H new ATOM 0 HA GLN A 148 9.169 -6.838 2.790 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.651 -7.252 3.149 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.446 -8.828 2.410 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.342 -7.218 0.805 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.767 -7.796 0.297 1.00 0.31 H new ATOM 0 HE21 GLN A 148 8.962 -6.419 0.348 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.135 -4.668 0.509 1.00 0.38 H new ATOM 921 N GLU A 149 8.795 -10.068 2.345 1.00 0.22 N ATOM 922 CA GLU A 149 8.111 -11.088 1.553 1.00 0.22 C ATOM 923 C GLU A 149 6.585 -10.947 1.643 1.00 0.18 C ATOM 924 O GLU A 149 5.876 -11.184 0.664 1.00 0.17 O ATOM 925 CB GLU A 149 8.552 -12.489 1.990 1.00 0.28 C ATOM 926 CG GLU A 149 7.939 -12.935 3.294 1.00 0.35 C ATOM 927 CD GLU A 149 8.357 -14.330 3.704 1.00 0.47 C ATOM 928 OE1 GLU A 149 8.122 -15.279 2.926 1.00 0.74 O ATOM 929 OE2 GLU A 149 8.925 -14.491 4.802 1.00 0.62 O ATOM 0 H GLU A 149 9.276 -10.430 3.168 1.00 0.22 H new ATOM 0 HA GLU A 149 8.391 -10.941 0.510 1.00 0.22 H new ATOM 0 HB2 GLU A 149 8.288 -13.204 1.211 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.638 -12.506 2.084 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.221 -12.233 4.079 1.00 0.35 H new ATOM 0 HG3 GLU A 149 6.853 -12.899 3.208 1.00 0.35 H new ATOM 936 N ALA A 150 6.085 -10.546 2.813 1.00 0.17 N ATOM 937 CA ALA A 150 4.646 -10.383 3.021 1.00 0.15 C ATOM 938 C ALA A 150 4.096 -9.284 2.124 1.00 0.13 C ATOM 939 O ALA A 150 2.973 -9.375 1.622 1.00 0.13 O ATOM 940 CB ALA A 150 4.356 -10.074 4.481 1.00 0.18 C ATOM 0 H ALA A 150 6.655 -10.328 3.630 1.00 0.17 H new ATOM 0 HA ALA A 150 4.151 -11.318 2.758 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.282 -9.955 4.621 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.715 -10.893 5.104 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.863 -9.152 4.765 1.00 0.18 H new ATOM 946 N ALA A 151 4.906 -8.257 1.913 1.00 0.13 N ATOM 947 CA ALA A 151 4.537 -7.154 1.042 1.00 0.13 C ATOM 948 C ALA A 151 4.339 -7.642 -0.381 1.00 0.12 C ATOM 949 O ALA A 151 3.377 -7.271 -1.051 1.00 0.13 O ATOM 950 CB ALA A 151 5.610 -6.083 1.084 1.00 0.16 C ATOM 0 H ALA A 151 5.829 -8.166 2.337 1.00 0.13 H new ATOM 0 HA ALA A 151 3.596 -6.730 1.394 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.327 -5.259 0.429 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.717 -5.715 2.104 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.558 -6.504 0.749 1.00 0.16 H new ATOM 956 N GLU A 152 5.255 -8.488 -0.826 1.00 0.13 N ATOM 957 CA GLU A 152 5.206 -9.039 -2.168 1.00 0.14 C ATOM 958 C GLU A 152 3.924 -9.843 -2.378 1.00 0.12 C ATOM 959 O GLU A 152 3.330 -9.803 -3.455 1.00 0.15 O ATOM 960 CB GLU A 152 6.444 -9.900 -2.416 1.00 0.18 C ATOM 961 CG GLU A 152 7.744 -9.143 -2.182 1.00 0.26 C ATOM 962 CD GLU A 152 8.972 -9.919 -2.610 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.341 -9.838 -3.804 1.00 0.95 O ATOM 964 OE2 GLU A 152 9.584 -10.597 -1.759 1.00 1.42 O ATOM 0 H GLU A 152 6.048 -8.809 -0.270 1.00 0.13 H new ATOM 0 HA GLU A 152 5.201 -8.221 -2.888 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.413 -10.771 -1.761 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.424 -10.271 -3.441 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.710 -8.199 -2.727 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.828 -8.897 -1.123 1.00 0.26 H new ATOM 971 N ARG A 153 3.495 -10.555 -1.337 1.00 0.10 N ATOM 972 CA ARG A 153 2.243 -11.305 -1.380 1.00 0.12 C ATOM 973 C ARG A 153 1.059 -10.363 -1.561 1.00 0.11 C ATOM 974 O ARG A 153 0.173 -10.611 -2.377 1.00 0.16 O ATOM 975 CB ARG A 153 2.032 -12.106 -0.099 1.00 0.16 C ATOM 976 CG ARG A 153 3.173 -13.040 0.253 1.00 0.21 C ATOM 977 CD ARG A 153 2.926 -13.721 1.586 1.00 0.26 C ATOM 978 NE ARG A 153 4.094 -14.461 2.053 1.00 0.38 N ATOM 979 CZ ARG A 153 4.283 -14.822 3.321 1.00 0.80 C ATOM 980 NH1 ARG A 153 3.393 -14.493 4.249 1.00 1.48 N ATOM 981 NH2 ARG A 153 5.369 -15.499 3.663 1.00 0.84 N ATOM 0 H ARG A 153 3.998 -10.628 -0.453 1.00 0.10 H new ATOM 0 HA ARG A 153 2.308 -11.989 -2.226 1.00 0.12 H new ATOM 0 HB2 ARG A 153 1.879 -11.412 0.727 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.118 -12.691 -0.198 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.287 -13.792 -0.528 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.107 -12.480 0.294 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.652 -12.972 2.329 1.00 0.26 H new ATOM 0 HD3 ARG A 153 2.080 -14.402 1.493 1.00 0.26 H new ATOM 0 HE ARG A 153 4.806 -14.716 1.369 1.00 0.38 H new ATOM 0 HH11 ARG A 153 2.561 -13.962 3.992 1.00 1.48 H new ATOM 0 HH12 ARG A 153 3.541 -14.771 5.219 1.00 1.48 H new ATOM 0 HH21 ARG A 153 6.061 -15.744 2.955 1.00 0.84 H new ATOM 0 HH22 ARG A 153 5.513 -15.775 4.634 1.00 0.84 H new ATOM 995 N ALA A 154 1.050 -9.284 -0.785 1.00 0.09 N ATOM 996 CA ALA A 154 -0.013 -8.291 -0.864 1.00 0.09 C ATOM 997 C ALA A 154 -0.092 -7.704 -2.266 1.00 0.09 C ATOM 998 O ALA A 154 -1.178 -7.469 -2.793 1.00 0.10 O ATOM 999 CB ALA A 154 0.212 -7.189 0.161 1.00 0.10 C ATOM 0 H ALA A 154 1.769 -9.076 -0.093 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.960 -8.782 -0.642 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.591 -6.455 0.089 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.221 -7.620 1.162 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.167 -6.701 -0.033 1.00 0.10 H new ATOM 1005 N ILE A 155 1.071 -7.490 -2.866 1.00 0.09 N ATOM 1006 CA ILE A 155 1.161 -6.948 -4.213 1.00 0.10 C ATOM 1007 C ILE A 155 0.462 -7.850 -5.226 1.00 0.11 C ATOM 1008 O ILE A 155 -0.408 -7.401 -5.967 1.00 0.14 O ATOM 1009 CB ILE A 155 2.636 -6.751 -4.623 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.275 -5.672 -3.750 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.749 -6.393 -6.098 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.761 -5.509 -3.966 1.00 0.15 C ATOM 0 H ILE A 155 1.974 -7.686 -2.434 1.00 0.09 H new ATOM 0 HA ILE A 155 0.657 -5.981 -4.209 1.00 0.10 H new ATOM 0 HB ILE A 155 3.170 -7.689 -4.471 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.783 -4.720 -3.948 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.095 -5.912 -2.702 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.798 -6.260 -6.361 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.323 -7.195 -6.701 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.206 -5.467 -6.290 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.140 -4.725 -3.310 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.267 -6.448 -3.739 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.950 -5.237 -5.004 1.00 0.15 H new ATOM 1024 N GLU A 156 0.838 -9.118 -5.251 1.00 0.11 N ATOM 1025 CA GLU A 156 0.242 -10.067 -6.182 1.00 0.13 C ATOM 1026 C GLU A 156 -1.236 -10.303 -5.898 1.00 0.12 C ATOM 1027 O GLU A 156 -2.059 -10.371 -6.813 1.00 0.15 O ATOM 1028 CB GLU A 156 0.978 -11.414 -6.179 1.00 0.17 C ATOM 1029 CG GLU A 156 1.505 -11.870 -4.826 1.00 0.21 C ATOM 1030 CD GLU A 156 2.054 -13.274 -4.873 1.00 0.62 C ATOM 1031 OE1 GLU A 156 1.259 -14.233 -4.796 1.00 1.08 O ATOM 1032 OE2 GLU A 156 3.283 -13.426 -5.012 1.00 0.63 O ATOM 0 H GLU A 156 1.551 -9.515 -4.640 1.00 0.11 H new ATOM 0 HA GLU A 156 0.339 -9.613 -7.168 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.302 -12.178 -6.562 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.816 -11.352 -6.874 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.287 -11.187 -4.493 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.703 -11.820 -4.090 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.560 -10.433 -4.632 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.882 -10.858 -4.221 1.00 0.10 C ATOM 1041 C LYS A 157 -3.927 -9.742 -4.316 1.00 0.08 C ATOM 1042 O LYS A 157 -5.061 -9.985 -4.729 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.815 -11.390 -2.790 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.522 -12.723 -2.611 1.00 0.17 C ATOM 1045 CD LYS A 157 -4.989 -12.655 -3.015 1.00 0.21 C ATOM 1046 CE LYS A 157 -5.884 -12.135 -1.895 1.00 0.29 C ATOM 1047 NZ LYS A 157 -7.321 -12.388 -2.176 1.00 1.16 N ATOM 0 H LYS A 157 -0.919 -10.249 -3.860 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.201 -11.642 -4.908 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.770 -11.499 -2.499 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.259 -10.657 -2.116 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.017 -13.483 -3.208 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.448 -13.035 -1.569 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.092 -12.009 -3.887 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.326 -13.648 -3.313 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.607 -12.614 -0.956 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -5.721 -11.065 -1.767 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -7.898 -12.021 -1.393 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -7.592 -11.910 -3.059 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -7.481 -13.411 -2.273 1.00 1.16 H new ATOM 1061 N MET A 158 -3.545 -8.528 -3.959 1.00 0.07 N ATOM 1062 CA MET A 158 -4.503 -7.423 -3.886 1.00 0.08 C ATOM 1063 C MET A 158 -4.531 -6.592 -5.158 1.00 0.09 C ATOM 1064 O MET A 158 -5.468 -5.826 -5.371 1.00 0.13 O ATOM 1065 CB MET A 158 -4.202 -6.515 -2.692 1.00 0.09 C ATOM 1066 CG MET A 158 -4.348 -7.213 -1.355 1.00 0.10 C ATOM 1067 SD MET A 158 -5.994 -7.909 -1.117 1.00 0.35 S ATOM 1068 CE MET A 158 -6.996 -6.434 -1.252 1.00 0.18 C ATOM 0 H MET A 158 -2.587 -8.277 -3.716 1.00 0.07 H new ATOM 0 HA MET A 158 -5.485 -7.878 -3.760 1.00 0.08 H new ATOM 0 HB2 MET A 158 -3.186 -6.131 -2.784 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.872 -5.656 -2.720 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.606 -8.008 -1.281 1.00 0.10 H new ATOM 0 HG3 MET A 158 -4.137 -6.505 -0.554 1.00 0.10 H new ATOM 0 HE1 MET A 158 -8.023 -6.665 -0.970 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.602 -5.664 -0.588 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.974 -6.072 -2.280 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.517 -6.725 -5.997 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.483 -5.961 -7.234 1.00 0.10 C ATOM 1080 C ASN A 159 -4.609 -6.429 -8.158 1.00 0.13 C ATOM 1081 O ASN A 159 -4.705 -7.618 -8.475 1.00 0.16 O ATOM 1082 CB ASN A 159 -2.135 -6.126 -7.939 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.943 -5.173 -9.107 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.894 -4.763 -9.773 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.699 -4.807 -9.356 1.00 0.38 N ATOM 0 H ASN A 159 -2.719 -7.343 -5.849 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.620 -4.907 -6.994 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.334 -5.969 -7.216 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -2.044 -7.151 -8.298 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.500 -4.163 -10.122 1.00 0.38 H new ATOM 0 HD22 ASN A 159 0.063 -5.168 -8.782 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.451 -5.499 -8.580 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.543 -5.833 -9.473 1.00 0.19 C ATOM 1094 C GLY A 160 -7.730 -6.414 -8.734 1.00 0.22 C ATOM 1095 O GLY A 160 -8.594 -7.057 -9.335 1.00 0.29 O ATOM 0 H GLY A 160 -5.398 -4.514 -8.319 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.855 -4.939 -10.012 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -6.195 -6.549 -10.218 1.00 0.19 H new ATOM 1099 N MET A 161 -7.775 -6.187 -7.431 1.00 0.22 N ATOM 1100 CA MET A 161 -8.840 -6.720 -6.601 1.00 0.27 C ATOM 1101 C MET A 161 -9.824 -5.616 -6.222 1.00 0.24 C ATOM 1102 O MET A 161 -9.478 -4.436 -6.221 1.00 0.23 O ATOM 1103 CB MET A 161 -8.229 -7.371 -5.356 1.00 0.32 C ATOM 1104 CG MET A 161 -9.182 -8.216 -4.532 1.00 0.68 C ATOM 1105 SD MET A 161 -10.448 -9.043 -5.524 1.00 1.18 S ATOM 1106 CE MET A 161 -9.445 -10.099 -6.574 1.00 1.04 C ATOM 0 H MET A 161 -7.083 -5.635 -6.925 1.00 0.22 H new ATOM 0 HA MET A 161 -9.394 -7.476 -7.157 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.392 -7.996 -5.667 1.00 0.32 H new ATOM 0 HB3 MET A 161 -7.822 -6.586 -4.719 1.00 0.32 H new ATOM 0 HG2 MET A 161 -8.611 -8.967 -3.986 1.00 0.68 H new ATOM 0 HG3 MET A 161 -9.668 -7.583 -3.790 1.00 0.68 H new ATOM 0 HE1 MET A 161 -9.478 -9.730 -7.599 1.00 1.04 H new ATOM 0 HE2 MET A 161 -8.414 -10.092 -6.219 1.00 1.04 H new ATOM 0 HE3 MET A 161 -9.833 -11.117 -6.542 1.00 1.04 H new ATOM 1116 N LEU A 162 -11.044 -6.015 -5.902 1.00 0.26 N ATOM 1117 CA LEU A 162 -12.116 -5.082 -5.589 1.00 0.26 C ATOM 1118 C LEU A 162 -12.288 -4.993 -4.090 1.00 0.28 C ATOM 1119 O LEU A 162 -12.861 -5.891 -3.475 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.443 -5.535 -6.208 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.547 -5.447 -7.730 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -14.835 -6.093 -8.199 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.505 -4.002 -8.187 1.00 0.34 C ATOM 0 H LEU A 162 -11.320 -6.996 -5.852 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.847 -4.110 -6.002 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.623 -6.569 -5.912 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.244 -4.936 -5.775 1.00 0.31 H new ATOM 0 HG LEU A 162 -12.698 -5.975 -8.164 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -14.901 -6.026 -9.285 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -14.847 -7.141 -7.899 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.685 -5.578 -7.751 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.580 -3.962 -9.274 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -14.339 -3.456 -7.745 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.566 -3.548 -7.871 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.787 -3.931 -3.491 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.917 -3.774 -2.051 1.00 0.33 C ATOM 1137 C LEU A 163 -13.278 -3.213 -1.638 1.00 0.45 C ATOM 1138 O LEU A 163 -13.467 -2.855 -0.475 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.822 -2.870 -1.497 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.712 -3.596 -0.742 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.662 -2.611 -0.261 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.297 -4.369 0.429 1.00 0.34 C ATOM 0 H LEU A 163 -11.294 -3.175 -3.966 1.00 0.25 H new ATOM 0 HA LEU A 163 -11.820 -4.776 -1.632 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.377 -2.314 -2.323 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -11.278 -2.139 -0.829 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.231 -4.301 -1.420 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.879 -3.147 0.275 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.228 -2.095 -1.117 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -9.124 -1.883 0.405 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.497 -4.884 0.961 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.798 -3.678 1.107 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -11.016 -5.100 0.059 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.222 -3.171 -2.571 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.523 -2.549 -2.345 1.00 0.42 C ATOM 1156 C ASN A 164 -16.295 -2.524 -3.646 1.00 0.45 C ATOM 1157 O ASN A 164 -17.330 -3.165 -3.796 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.368 -1.119 -1.806 1.00 0.49 C ATOM 1159 CG ASN A 164 -16.080 -0.913 -0.486 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -17.270 -0.597 -0.448 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -15.344 -1.071 0.601 1.00 1.07 N ATOM 0 H ASN A 164 -14.108 -3.566 -3.504 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.064 -3.134 -1.601 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.309 -0.895 -1.682 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -15.759 -0.414 -2.539 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -15.758 -0.930 1.522 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.362 -1.334 0.518 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.743 -1.781 -4.575 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.278 -1.648 -5.920 1.00 0.44 C ATOM 1170 C ASP A 165 -15.246 -0.947 -6.808 1.00 0.43 C ATOM 1171 O ASP A 165 -15.571 -0.353 -7.833 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.602 -0.872 -5.898 1.00 0.55 C ATOM 1173 CG ASP A 165 -18.318 -0.879 -7.237 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.740 -1.967 -7.687 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -18.452 0.196 -7.854 1.00 0.85 O ATOM 0 H ASP A 165 -14.893 -1.239 -4.420 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.482 -2.638 -6.328 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.256 -1.303 -5.140 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -17.407 0.159 -5.602 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.982 -1.048 -6.406 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.886 -0.406 -7.112 1.00 0.27 C ATOM 1182 C ARG A 166 -11.699 -1.353 -7.143 1.00 0.24 C ATOM 1183 O ARG A 166 -11.364 -1.963 -6.122 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.459 0.896 -6.424 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.579 1.896 -6.192 1.00 0.27 C ATOM 1186 CD ARG A 166 -13.029 3.186 -5.610 1.00 0.27 C ATOM 1187 NE ARG A 166 -14.076 4.065 -5.087 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.932 5.382 -4.950 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.843 5.978 -5.412 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.888 6.104 -4.381 1.00 0.70 N ATOM 0 H ARG A 166 -13.693 -1.577 -5.583 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.223 -0.168 -8.121 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.007 0.650 -5.463 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.686 1.372 -7.028 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -14.090 2.103 -7.132 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.319 1.471 -5.514 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.328 2.948 -4.810 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.467 3.716 -6.379 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.965 3.646 -4.812 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -12.117 5.428 -5.872 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.731 6.986 -5.308 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.738 5.651 -4.046 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.773 7.112 -4.278 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.089 -1.494 -8.305 1.00 0.22 N ATOM 1205 CA LYS A 167 -9.897 -2.314 -8.451 1.00 0.20 C ATOM 1206 C LYS A 167 -8.684 -1.565 -7.924 1.00 0.17 C ATOM 1207 O LYS A 167 -8.367 -0.482 -8.407 1.00 0.22 O ATOM 1208 CB LYS A 167 -9.686 -2.672 -9.921 1.00 0.23 C ATOM 1209 CG LYS A 167 -10.023 -4.111 -10.267 1.00 0.40 C ATOM 1210 CD LYS A 167 -10.202 -4.285 -11.764 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.451 -5.735 -12.135 1.00 0.53 C ATOM 1212 NZ LYS A 167 -9.233 -6.567 -11.965 1.00 1.00 N ATOM 0 H LYS A 167 -11.401 -1.049 -9.168 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.027 -3.231 -7.876 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -10.296 -2.010 -10.535 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -8.645 -2.481 -10.184 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -9.229 -4.769 -9.914 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -10.936 -4.408 -9.751 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -11.038 -3.674 -12.104 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -9.313 -3.925 -12.281 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -11.254 -6.136 -11.516 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -10.788 -5.792 -13.170 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -9.264 -7.368 -12.628 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -8.389 -5.991 -12.158 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -9.191 -6.926 -10.990 1.00 1.00 H new ATOM 1226 N VAL A 168 -7.994 -2.147 -6.961 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.843 -1.486 -6.370 1.00 0.12 C ATOM 1228 C VAL A 168 -5.550 -2.050 -6.926 1.00 0.11 C ATOM 1229 O VAL A 168 -5.418 -3.253 -7.141 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.820 -1.593 -4.827 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.889 -0.710 -4.209 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.990 -3.036 -4.369 1.00 0.13 C ATOM 0 H VAL A 168 -8.206 -3.066 -6.574 1.00 0.13 H new ATOM 0 HA VAL A 168 -6.932 -0.432 -6.634 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.845 -1.245 -4.487 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.854 -0.802 -3.123 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.712 0.328 -4.491 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.870 -1.021 -4.568 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.969 -3.077 -3.280 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.944 -3.422 -4.729 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -6.179 -3.643 -4.770 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.605 -1.163 -7.165 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.329 -1.535 -7.739 1.00 0.12 C ATOM 1244 C PHE A 169 -2.267 -1.503 -6.656 1.00 0.10 C ATOM 1245 O PHE A 169 -2.021 -0.462 -6.054 1.00 0.12 O ATOM 1246 CB PHE A 169 -2.986 -0.568 -8.885 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.589 -0.689 -9.434 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.305 -1.552 -10.480 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.564 0.078 -8.906 1.00 0.18 C ATOM 1250 CE1 PHE A 169 -0.021 -1.648 -10.986 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.718 -0.014 -9.407 1.00 0.23 C ATOM 1252 CZ PHE A 169 0.992 -0.876 -10.447 1.00 0.26 C ATOM 0 H PHE A 169 -4.700 -0.167 -6.967 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.375 -2.545 -8.146 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.693 -0.730 -9.698 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.133 0.453 -8.533 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -2.094 -2.156 -10.904 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.771 0.757 -8.092 1.00 0.18 H new ATOM 0 HE1 PHE A 169 0.190 -2.325 -11.801 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.507 0.590 -8.984 1.00 0.23 H new ATOM 0 HZ PHE A 169 1.995 -0.948 -10.840 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.659 -2.648 -6.400 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.631 -2.746 -5.382 1.00 0.10 C ATOM 1264 C VAL A 170 0.696 -3.096 -6.036 1.00 0.11 C ATOM 1265 O VAL A 170 0.779 -4.048 -6.813 1.00 0.13 O ATOM 1266 CB VAL A 170 -0.962 -3.819 -4.315 1.00 0.10 C ATOM 1267 CG1 VAL A 170 0.058 -3.796 -3.192 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.363 -3.645 -3.751 1.00 0.09 C ATOM 0 H VAL A 170 -1.860 -3.523 -6.884 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.575 -1.780 -4.881 1.00 0.10 H new ATOM 0 HB VAL A 170 -0.920 -4.788 -4.813 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.195 -4.558 -2.455 1.00 0.11 H new ATOM 0 HG12 VAL A 170 1.050 -3.998 -3.597 1.00 0.11 H new ATOM 0 HG13 VAL A 170 0.053 -2.815 -2.716 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.554 -4.418 -3.006 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.448 -2.663 -3.285 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.093 -3.729 -4.557 1.00 0.09 H new ATOM 1278 N GLY A 171 1.717 -2.311 -5.739 1.00 0.12 N ATOM 1279 CA GLY A 171 3.033 -2.555 -6.292 1.00 0.14 C ATOM 1280 C GLY A 171 4.126 -2.114 -5.347 1.00 0.14 C ATOM 1281 O GLY A 171 3.845 -1.738 -4.205 1.00 0.18 O ATOM 0 H GLY A 171 1.658 -1.502 -5.120 1.00 0.12 H new ATOM 0 HA2 GLY A 171 3.146 -3.617 -6.508 1.00 0.14 H new ATOM 0 HA3 GLY A 171 3.134 -2.024 -7.239 1.00 0.14 H new ATOM 1285 N ARG A 172 5.371 -2.153 -5.814 1.00 0.18 N ATOM 1286 CA ARG A 172 6.497 -1.703 -5.010 1.00 0.19 C ATOM 1287 C ARG A 172 6.326 -0.236 -4.644 1.00 0.22 C ATOM 1288 O ARG A 172 5.846 0.565 -5.449 1.00 0.36 O ATOM 1289 CB ARG A 172 7.827 -1.910 -5.743 1.00 0.23 C ATOM 1290 CG ARG A 172 8.286 -3.362 -5.828 1.00 0.32 C ATOM 1291 CD ARG A 172 8.409 -3.999 -4.449 1.00 0.39 C ATOM 1292 NE ARG A 172 9.408 -5.065 -4.407 1.00 1.03 N ATOM 1293 CZ ARG A 172 9.127 -6.366 -4.494 1.00 1.26 C ATOM 1294 NH1 ARG A 172 7.899 -6.771 -4.804 1.00 1.34 N ATOM 1295 NH2 ARG A 172 10.089 -7.263 -4.317 1.00 1.93 N ATOM 0 H ARG A 172 5.622 -2.491 -6.743 1.00 0.18 H new ATOM 0 HA ARG A 172 6.518 -2.302 -4.099 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.736 -1.512 -6.754 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.599 -1.328 -5.240 1.00 0.23 H new ATOM 0 HG2 ARG A 172 7.578 -3.932 -6.430 1.00 0.32 H new ATOM 0 HG3 ARG A 172 9.248 -3.410 -6.337 1.00 0.32 H new ATOM 0 HD2 ARG A 172 8.672 -3.232 -3.721 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.441 -4.402 -4.152 1.00 0.39 H new ATOM 0 HE ARG A 172 10.386 -4.796 -4.304 1.00 1.03 H new ATOM 0 HH11 ARG A 172 7.164 -6.085 -4.977 1.00 1.34 H new ATOM 0 HH12 ARG A 172 7.692 -7.768 -4.869 1.00 1.34 H new ATOM 0 HH21 ARG A 172 11.041 -6.957 -4.115 1.00 1.93 H new ATOM 0 HH22 ARG A 172 9.877 -8.258 -4.383 1.00 1.93 H new