USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 ASN :FLIP amide:sc= -0.437 F(o=-3.9,f=-0.53) USER MOD Set 1.2: A 144 HIS :FLIP no HD1:sc= -0.0947 X(o=-1,f=-0.53) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 144:sc= 0.601 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 1.08 K(o=1.1,f=-1.1) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -35:sc= 0.328 USER MOD Single : A 112 ASN : amide:sc= -2.23! C(o=-2.2!,f=-8.9!) USER MOD Single : A 113 LYS NZ :NH3+ -155:sc= -0.396 (180deg=-0.939) USER MOD Single : A 118 THR OG1 : rot 77:sc= 0.787 USER MOD Single : A 124 ASN : amide:sc= 0.992 K(o=0.99,f=-1.5) USER MOD Single : A 127 SER OG : rot 1:sc= 0.31 USER MOD Single : A 128 CYS SG : rot -175:sc= -15.8! 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= -0.127 USER MOD Single : A 148 GLN : amide:sc= -0.926 X(o=-0.93,f=-1) USER MOD Single : A 157 LYS NZ :NH3+ -127:sc= -0.181 (180deg=-0.806) USER MOD Single : A 158 MET CE :methyl -174:sc= -0.789 (180deg=-0.937) USER MOD Single : A 159 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.2!) USER MOD Single : A 161 MET CE :methyl -138:sc= -0.206 (180deg=-0.976) USER MOD Single : A 164 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.1!) USER MOD Single : A 167 LYS NZ :NH3+ -110:sc= -0.661 (180deg=-2.54!) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.067 -1.475 4.607 1.00 0.29 N ATOM 141 CA VAL A 98 10.832 -2.922 4.474 1.00 0.33 C ATOM 142 C VAL A 98 9.353 -3.263 4.344 1.00 0.25 C ATOM 143 O VAL A 98 8.539 -2.926 5.204 1.00 0.27 O ATOM 144 CB VAL A 98 11.434 -3.752 5.622 1.00 0.49 C ATOM 145 CG1 VAL A 98 10.921 -5.187 5.566 1.00 0.47 C ATOM 146 CG2 VAL A 98 12.946 -3.748 5.543 1.00 0.71 C ATOM 0 HA VAL A 98 11.348 -3.192 3.552 1.00 0.33 H new ATOM 0 HB VAL A 98 11.127 -3.301 6.566 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.356 -5.761 6.384 1.00 0.47 H new ATOM 0 HG12 VAL A 98 9.835 -5.189 5.658 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.205 -5.638 4.615 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.355 -4.340 6.362 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.262 -4.178 4.592 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.312 -2.724 5.617 1.00 0.71 H new ATOM 156 N GLY A 99 9.014 -3.939 3.258 1.00 0.21 N ATOM 157 CA GLY A 99 7.649 -4.364 3.059 1.00 0.20 C ATOM 158 C GLY A 99 6.747 -3.216 2.664 1.00 0.15 C ATOM 159 O GLY A 99 5.542 -3.254 2.897 1.00 0.18 O ATOM 0 H GLY A 99 9.660 -4.200 2.513 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.618 -5.131 2.286 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.274 -4.820 3.976 1.00 0.20 H new ATOM 163 N ASN A 100 7.342 -2.183 2.089 1.00 0.13 N ATOM 164 CA ASN A 100 6.615 -0.963 1.757 1.00 0.14 C ATOM 165 C ASN A 100 5.985 -1.108 0.383 1.00 0.14 C ATOM 166 O ASN A 100 6.674 -1.383 -0.604 1.00 0.19 O ATOM 167 CB ASN A 100 7.597 0.223 1.760 1.00 0.21 C ATOM 168 CG ASN A 100 8.588 0.154 2.903 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.203 -0.500 3.991 1.00 0.63 O flip ATOM 170 ND2 ASN A 100 9.697 0.670 2.800 1.00 0.20 N flip ATOM 0 H ASN A 100 8.331 -2.163 1.841 1.00 0.13 H new ATOM 0 HA ASN A 100 5.830 -0.787 2.492 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.139 0.244 0.815 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.036 1.155 1.826 1.00 0.21 H new ATOM 0 HD21 ASN A 100 9.952 1.164 1.945 1.00 0.20 H new ATOM 0 HD22 ASN A 100 10.363 0.605 3.570 1.00 0.20 H new ATOM 177 N ILE A 101 4.679 -0.919 0.322 1.00 0.12 N ATOM 178 CA ILE A 101 3.949 -0.975 -0.935 1.00 0.13 C ATOM 179 C ILE A 101 2.967 0.182 -1.012 1.00 0.12 C ATOM 180 O ILE A 101 2.633 0.780 0.014 1.00 0.15 O ATOM 181 CB ILE A 101 3.186 -2.310 -1.105 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.176 -2.502 0.030 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.160 -3.477 -1.163 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.442 -3.825 -0.021 1.00 0.13 C ATOM 0 H ILE A 101 4.096 -0.723 1.136 1.00 0.12 H new ATOM 0 HA ILE A 101 4.679 -0.903 -1.741 1.00 0.13 H new ATOM 0 HB ILE A 101 2.637 -2.276 -2.046 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.697 -2.423 0.984 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.448 -1.692 -0.004 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.606 -4.408 -1.283 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.835 -3.346 -2.008 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.738 -3.515 -0.239 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.745 -3.887 0.815 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.892 -3.900 -0.959 1.00 0.13 H new ATOM 0 HD13 ILE A 101 2.160 -4.642 0.044 1.00 0.13 H new ATOM 196 N PHE A 102 2.502 0.491 -2.208 1.00 0.11 N ATOM 197 CA PHE A 102 1.501 1.528 -2.370 1.00 0.11 C ATOM 198 C PHE A 102 0.299 0.974 -3.126 1.00 0.09 C ATOM 199 O PHE A 102 0.443 0.125 -4.010 1.00 0.11 O ATOM 200 CB PHE A 102 2.098 2.767 -3.063 1.00 0.16 C ATOM 201 CG PHE A 102 1.660 2.987 -4.485 1.00 0.13 C ATOM 202 CD1 PHE A 102 0.536 3.752 -4.761 1.00 0.14 C ATOM 203 CD2 PHE A 102 2.375 2.447 -5.540 1.00 0.17 C ATOM 204 CE1 PHE A 102 0.131 3.969 -6.061 1.00 0.17 C ATOM 205 CE2 PHE A 102 1.977 2.663 -6.845 1.00 0.21 C ATOM 206 CZ PHE A 102 0.854 3.424 -7.106 1.00 0.20 C ATOM 0 H PHE A 102 2.798 0.043 -3.075 1.00 0.11 H new ATOM 0 HA PHE A 102 1.160 1.851 -1.386 1.00 0.11 H new ATOM 0 HB2 PHE A 102 1.836 3.650 -2.480 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.185 2.684 -3.045 1.00 0.16 H new ATOM 0 HD1 PHE A 102 -0.029 4.183 -3.947 1.00 0.14 H new ATOM 0 HD2 PHE A 102 3.253 1.851 -5.341 1.00 0.17 H new ATOM 0 HE1 PHE A 102 -0.748 4.563 -6.262 1.00 0.17 H new ATOM 0 HE2 PHE A 102 2.543 2.237 -7.660 1.00 0.21 H new ATOM 0 HZ PHE A 102 0.541 3.593 -8.126 1.00 0.20 H new ATOM 216 N ILE A 103 -0.878 1.438 -2.746 1.00 0.08 N ATOM 217 CA ILE A 103 -2.123 0.970 -3.332 1.00 0.08 C ATOM 218 C ILE A 103 -2.853 2.124 -4.004 1.00 0.08 C ATOM 219 O ILE A 103 -3.021 3.186 -3.409 1.00 0.15 O ATOM 220 CB ILE A 103 -3.039 0.361 -2.256 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.300 -0.717 -1.465 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.293 -0.222 -2.888 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.546 -0.631 0.018 1.00 0.09 C ATOM 0 H ILE A 103 -0.999 2.148 -2.024 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.879 0.206 -4.070 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.331 1.157 -1.571 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.610 -1.699 -1.823 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.230 -0.631 -1.656 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.928 -0.648 -2.111 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.837 0.565 -3.410 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -4.014 -1.002 -3.597 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -1.994 -1.423 0.525 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.211 0.338 0.387 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.611 -0.746 0.217 1.00 0.09 H new ATOM 235 N LYS A 104 -3.282 1.915 -5.237 1.00 0.13 N ATOM 236 CA LYS A 104 -3.965 2.951 -5.996 1.00 0.13 C ATOM 237 C LYS A 104 -5.441 2.610 -6.166 1.00 0.12 C ATOM 238 O LYS A 104 -5.809 1.435 -6.155 1.00 0.14 O ATOM 239 CB LYS A 104 -3.325 3.089 -7.378 1.00 0.19 C ATOM 240 CG LYS A 104 -3.480 4.473 -7.996 1.00 0.28 C ATOM 241 CD LYS A 104 -2.740 4.601 -9.326 1.00 0.39 C ATOM 242 CE LYS A 104 -3.469 3.899 -10.467 1.00 0.66 C ATOM 243 NZ LYS A 104 -2.765 4.078 -11.764 1.00 1.46 N ATOM 0 H LYS A 104 -3.169 1.033 -5.737 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.876 3.889 -5.449 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.264 2.853 -7.301 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.768 2.351 -8.048 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.538 4.683 -8.150 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -3.104 5.223 -7.300 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.618 5.656 -9.571 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.740 4.180 -9.224 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -3.555 2.836 -10.244 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -4.483 4.291 -10.546 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -3.291 3.587 -12.515 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -2.705 5.091 -11.989 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -1.806 3.681 -11.696 1.00 1.46 H new ATOM 257 N ASN A 105 -6.267 3.647 -6.304 1.00 0.12 N ATOM 258 CA ASN A 105 -7.673 3.505 -6.699 1.00 0.13 C ATOM 259 C ASN A 105 -8.524 2.908 -5.574 1.00 0.15 C ATOM 260 O ASN A 105 -9.495 2.193 -5.826 1.00 0.25 O ATOM 261 CB ASN A 105 -7.789 2.645 -7.963 1.00 0.16 C ATOM 262 CG ASN A 105 -9.043 2.957 -8.760 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.483 4.108 -8.826 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.633 1.936 -9.357 1.00 0.34 N ATOM 0 H ASN A 105 -5.981 4.613 -6.145 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.056 4.504 -6.909 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -6.913 2.806 -8.591 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.792 1.591 -7.684 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.485 2.084 -9.898 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.236 1.000 -9.277 1.00 0.34 H new ATOM 271 N LEU A 106 -8.177 3.231 -4.339 1.00 0.14 N ATOM 272 CA LEU A 106 -8.927 2.751 -3.183 1.00 0.17 C ATOM 273 C LEU A 106 -10.268 3.451 -3.062 1.00 0.22 C ATOM 274 O LEU A 106 -10.452 4.565 -3.560 1.00 0.26 O ATOM 275 CB LEU A 106 -8.126 2.954 -1.897 1.00 0.16 C ATOM 276 CG LEU A 106 -7.084 1.877 -1.617 1.00 0.14 C ATOM 277 CD1 LEU A 106 -6.050 2.376 -0.632 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.758 0.632 -1.069 1.00 0.16 C ATOM 0 H LEU A 106 -7.380 3.824 -4.108 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.105 1.686 -3.332 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.625 3.921 -1.946 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.819 2.997 -1.057 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.582 1.633 -2.553 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.316 1.592 -0.446 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.549 3.252 -1.043 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.539 2.644 0.304 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -7.006 -0.132 -0.872 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.277 0.877 -0.143 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.475 0.256 -1.798 1.00 0.16 H new ATOM 290 N ASP A 107 -11.207 2.785 -2.409 1.00 0.27 N ATOM 291 CA ASP A 107 -12.509 3.368 -2.150 1.00 0.32 C ATOM 292 C ASP A 107 -12.402 4.393 -1.033 1.00 0.30 C ATOM 293 O ASP A 107 -11.593 4.243 -0.121 1.00 0.26 O ATOM 294 CB ASP A 107 -13.521 2.286 -1.777 1.00 0.37 C ATOM 295 CG ASP A 107 -14.901 2.853 -1.534 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.649 3.039 -2.510 1.00 0.62 O ATOM 297 OD2 ASP A 107 -15.246 3.116 -0.366 1.00 0.71 O ATOM 0 H ASP A 107 -11.089 1.838 -2.049 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.856 3.862 -3.057 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.570 1.546 -2.576 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.181 1.766 -0.881 1.00 0.37 H new ATOM 302 N LYS A 108 -13.216 5.433 -1.117 1.00 0.38 N ATOM 303 CA LYS A 108 -13.173 6.526 -0.153 1.00 0.43 C ATOM 304 C LYS A 108 -13.462 6.041 1.269 1.00 0.36 C ATOM 305 O LYS A 108 -12.940 6.589 2.237 1.00 0.46 O ATOM 306 CB LYS A 108 -14.180 7.614 -0.532 1.00 0.55 C ATOM 307 CG LYS A 108 -15.624 7.153 -0.422 1.00 0.57 C ATOM 308 CD LYS A 108 -16.592 8.315 -0.454 1.00 0.90 C ATOM 309 CE LYS A 108 -18.035 7.835 -0.429 1.00 1.21 C ATOM 310 NZ LYS A 108 -18.994 8.966 -0.372 1.00 2.20 N ATOM 0 H LYS A 108 -13.919 5.545 -1.847 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.163 6.936 -0.177 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.031 8.480 0.113 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -13.986 7.941 -1.554 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -15.850 6.470 -1.241 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -15.757 6.595 0.505 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -16.409 8.967 0.400 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -16.420 8.909 -1.351 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.233 7.235 -1.317 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.187 7.187 0.434 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -19.966 8.597 -0.356 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -18.822 9.524 0.489 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -18.867 9.571 -1.208 1.00 2.20 H new ATOM 324 N SER A 109 -14.290 5.014 1.388 1.00 0.31 N ATOM 325 CA SER A 109 -14.704 4.506 2.687 1.00 0.40 C ATOM 326 C SER A 109 -13.623 3.621 3.314 1.00 0.34 C ATOM 327 O SER A 109 -13.775 3.159 4.449 1.00 0.43 O ATOM 328 CB SER A 109 -16.017 3.731 2.544 1.00 0.56 C ATOM 329 OG SER A 109 -16.539 3.345 3.806 1.00 1.41 O ATOM 0 H SER A 109 -14.691 4.513 0.595 1.00 0.31 H new ATOM 0 HA SER A 109 -14.858 5.355 3.353 1.00 0.40 H new ATOM 0 HB2 SER A 109 -16.748 4.347 2.021 1.00 0.56 H new ATOM 0 HB3 SER A 109 -15.851 2.844 1.932 1.00 0.56 H new ATOM 0 HG SER A 109 -15.801 3.128 4.413 1.00 1.41 H new ATOM 335 N ILE A 110 -12.543 3.376 2.578 1.00 0.23 N ATOM 336 CA ILE A 110 -11.446 2.567 3.093 1.00 0.20 C ATOM 337 C ILE A 110 -10.656 3.347 4.140 1.00 0.20 C ATOM 338 O ILE A 110 -10.231 4.474 3.901 1.00 0.26 O ATOM 339 CB ILE A 110 -10.507 2.093 1.957 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.247 1.111 1.043 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.243 1.452 2.521 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.650 -0.177 1.732 1.00 0.23 C ATOM 0 H ILE A 110 -12.405 3.724 1.629 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.878 1.682 3.560 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.206 2.963 1.373 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.140 1.597 0.650 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.612 0.873 0.190 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.602 1.128 1.701 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.709 2.178 3.134 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.513 0.591 3.132 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.169 -0.822 1.023 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.760 -0.686 2.101 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.312 0.049 2.568 1.00 0.23 H new ATOM 354 N ASP A 111 -10.488 2.739 5.305 1.00 0.17 N ATOM 355 CA ASP A 111 -9.780 3.369 6.410 1.00 0.18 C ATOM 356 C ASP A 111 -8.456 2.643 6.640 1.00 0.14 C ATOM 357 O ASP A 111 -8.140 1.691 5.923 1.00 0.13 O ATOM 358 CB ASP A 111 -10.646 3.315 7.675 1.00 0.23 C ATOM 359 CG ASP A 111 -10.189 4.274 8.757 1.00 1.01 C ATOM 360 OD1 ASP A 111 -9.330 3.888 9.577 1.00 1.59 O ATOM 361 OD2 ASP A 111 -10.699 5.411 8.798 1.00 1.23 O ATOM 0 H ASP A 111 -10.836 1.802 5.510 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.576 4.413 6.171 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.678 3.543 7.410 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.635 2.300 8.071 1.00 0.23 H new ATOM 366 N ASN A 112 -7.707 3.054 7.654 1.00 0.15 N ATOM 367 CA ASN A 112 -6.412 2.443 7.934 1.00 0.13 C ATOM 368 C ASN A 112 -6.644 1.062 8.498 1.00 0.11 C ATOM 369 O ASN A 112 -5.867 0.136 8.270 1.00 0.12 O ATOM 370 CB ASN A 112 -5.582 3.261 8.932 1.00 0.16 C ATOM 371 CG ASN A 112 -5.085 4.585 8.367 1.00 0.19 C ATOM 372 OD1 ASN A 112 -4.161 4.610 7.565 1.00 0.60 O ATOM 373 ND2 ASN A 112 -5.631 5.700 8.831 1.00 0.55 N ATOM 0 H ASN A 112 -7.970 3.803 8.294 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.851 2.401 7.001 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.184 3.457 9.819 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.726 2.668 9.253 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -5.282 6.607 8.520 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -6.400 5.652 9.499 1.00 0.55 H new ATOM 380 N LYS A 113 -7.748 0.937 9.216 1.00 0.12 N ATOM 381 CA LYS A 113 -8.178 -0.307 9.772 1.00 0.12 C ATOM 382 C LYS A 113 -8.524 -1.246 8.649 1.00 0.11 C ATOM 383 O LYS A 113 -8.117 -2.389 8.627 1.00 0.11 O ATOM 384 CB LYS A 113 -9.437 -0.035 10.546 1.00 0.15 C ATOM 385 CG LYS A 113 -9.632 -0.856 11.815 1.00 0.28 C ATOM 386 CD LYS A 113 -9.397 -2.355 11.635 1.00 0.54 C ATOM 387 CE LYS A 113 -10.633 -3.122 11.155 1.00 1.63 C ATOM 388 NZ LYS A 113 -11.870 -2.722 11.876 1.00 2.58 N ATOM 0 H LYS A 113 -8.371 1.717 9.424 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.401 -0.740 10.401 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.454 1.021 10.814 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.289 -0.211 9.889 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.954 -0.483 12.583 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.646 -0.700 12.182 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -8.589 -2.503 10.919 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -9.064 -2.777 12.583 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -10.769 -2.953 10.087 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -10.468 -4.191 11.290 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -12.556 -3.503 11.848 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -11.639 -2.500 12.865 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -12.282 -1.883 11.420 1.00 2.58 H new ATOM 402 N ALA A 114 -9.298 -0.714 7.723 1.00 0.11 N ATOM 403 CA ALA A 114 -9.794 -1.470 6.582 1.00 0.12 C ATOM 404 C ALA A 114 -8.648 -1.975 5.720 1.00 0.11 C ATOM 405 O ALA A 114 -8.639 -3.128 5.278 1.00 0.13 O ATOM 406 CB ALA A 114 -10.717 -0.591 5.758 1.00 0.15 C ATOM 0 H ALA A 114 -9.604 0.259 7.738 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.344 -2.336 6.951 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.089 -1.155 4.903 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.557 -0.268 6.373 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.169 0.282 5.405 1.00 0.15 H new ATOM 412 N LEU A 115 -7.683 -1.103 5.490 1.00 0.09 N ATOM 413 CA LEU A 115 -6.510 -1.453 4.714 1.00 0.09 C ATOM 414 C LEU A 115 -5.693 -2.495 5.477 1.00 0.08 C ATOM 415 O LEU A 115 -5.291 -3.518 4.915 1.00 0.09 O ATOM 416 CB LEU A 115 -5.690 -0.183 4.451 1.00 0.10 C ATOM 417 CG LEU A 115 -4.768 -0.210 3.228 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.109 1.145 3.034 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.714 -1.286 3.359 1.00 0.11 C ATOM 0 H LEU A 115 -7.690 -0.142 5.832 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.798 -1.883 3.755 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.381 0.653 4.340 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.082 0.020 5.333 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.378 -0.438 2.354 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.457 1.111 2.161 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.876 1.905 2.884 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.521 1.393 3.917 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -3.076 -1.280 2.475 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.109 -1.096 4.245 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.197 -2.259 3.451 1.00 0.11 H new ATOM 431 N TYR A 116 -5.483 -2.248 6.765 1.00 0.08 N ATOM 432 CA TYR A 116 -4.789 -3.197 7.622 1.00 0.09 C ATOM 433 C TYR A 116 -5.538 -4.521 7.674 1.00 0.10 C ATOM 434 O TYR A 116 -4.940 -5.576 7.505 1.00 0.11 O ATOM 435 CB TYR A 116 -4.622 -2.639 9.042 1.00 0.10 C ATOM 436 CG TYR A 116 -4.100 -3.665 10.029 1.00 0.13 C ATOM 437 CD1 TYR A 116 -2.736 -3.890 10.174 1.00 0.19 C ATOM 438 CD2 TYR A 116 -4.971 -4.388 10.830 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.258 -4.809 11.089 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.500 -5.312 11.747 1.00 0.23 C ATOM 441 CZ TYR A 116 -3.143 -5.580 11.806 1.00 0.23 C ATOM 442 OH TYR A 116 -2.668 -6.432 12.785 1.00 0.30 O ATOM 0 H TYR A 116 -5.785 -1.396 7.238 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.800 -3.365 7.196 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -3.938 -1.791 9.014 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.583 -2.263 9.393 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -2.038 -3.338 9.562 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -6.035 -4.228 10.737 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -1.195 -4.921 11.240 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -5.185 -5.819 12.410 1.00 0.23 H new ATOM 0 HH TYR A 116 -3.419 -6.905 13.200 1.00 0.30 H new ATOM 452 N ASP A 117 -6.852 -4.453 7.865 1.00 0.10 N ATOM 453 CA ASP A 117 -7.671 -5.651 8.028 1.00 0.12 C ATOM 454 C ASP A 117 -7.512 -6.587 6.840 1.00 0.12 C ATOM 455 O ASP A 117 -7.445 -7.807 7.001 1.00 0.15 O ATOM 456 CB ASP A 117 -9.144 -5.255 8.170 1.00 0.16 C ATOM 457 CG ASP A 117 -10.051 -6.447 8.395 1.00 0.27 C ATOM 458 OD1 ASP A 117 -10.099 -6.957 9.534 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.734 -6.871 7.441 1.00 0.40 O ATOM 0 H ASP A 117 -7.374 -3.578 7.911 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.339 -6.171 8.926 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.250 -4.560 9.003 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.462 -4.726 7.271 1.00 0.16 H new ATOM 464 N THR A 118 -7.438 -6.010 5.654 1.00 0.11 N ATOM 465 CA THR A 118 -7.312 -6.792 4.440 1.00 0.11 C ATOM 466 C THR A 118 -5.877 -7.300 4.226 1.00 0.10 C ATOM 467 O THR A 118 -5.650 -8.499 4.062 1.00 0.12 O ATOM 468 CB THR A 118 -7.752 -5.948 3.229 1.00 0.13 C ATOM 469 OG1 THR A 118 -9.038 -5.365 3.491 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.825 -6.796 1.969 1.00 0.17 C ATOM 0 H THR A 118 -7.463 -5.001 5.507 1.00 0.11 H new ATOM 0 HA THR A 118 -7.958 -7.664 4.541 1.00 0.11 H new ATOM 0 HB THR A 118 -7.013 -5.162 3.072 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.934 -4.602 4.098 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.138 -6.175 1.130 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.844 -7.221 1.759 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.546 -7.601 2.113 1.00 0.17 H new ATOM 478 N PHE A 119 -4.913 -6.384 4.242 1.00 0.08 N ATOM 479 CA PHE A 119 -3.522 -6.716 3.921 1.00 0.08 C ATOM 480 C PHE A 119 -2.839 -7.534 5.025 1.00 0.08 C ATOM 481 O PHE A 119 -1.930 -8.313 4.747 1.00 0.09 O ATOM 482 CB PHE A 119 -2.721 -5.457 3.560 1.00 0.08 C ATOM 483 CG PHE A 119 -3.137 -4.841 2.241 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.419 -4.327 2.048 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.243 -4.780 1.184 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.784 -3.776 0.839 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.608 -4.228 -0.026 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.925 -3.688 -0.168 1.00 0.09 C ATOM 0 H PHE A 119 -5.067 -5.403 4.474 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.544 -7.359 3.041 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.842 -4.718 4.352 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.661 -5.709 3.518 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.135 -4.361 2.856 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.244 -5.171 1.310 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.791 -3.408 0.708 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -1.912 -4.204 -0.851 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.219 -3.211 -1.091 1.00 0.09 H new ATOM 498 N SER A 120 -3.276 -7.358 6.271 1.00 0.09 N ATOM 499 CA SER A 120 -2.681 -8.065 7.413 1.00 0.09 C ATOM 500 C SER A 120 -2.759 -9.579 7.215 1.00 0.08 C ATOM 501 O SER A 120 -1.932 -10.327 7.737 1.00 0.09 O ATOM 502 CB SER A 120 -3.360 -7.657 8.728 1.00 0.13 C ATOM 503 OG SER A 120 -2.673 -8.182 9.851 1.00 0.19 O ATOM 0 H SER A 120 -4.041 -6.731 6.520 1.00 0.09 H new ATOM 0 HA SER A 120 -1.630 -7.781 7.472 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.397 -6.570 8.798 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.391 -8.012 8.732 1.00 0.13 H new ATOM 0 HG SER A 120 -2.709 -7.536 10.587 1.00 0.19 H new ATOM 509 N ALA A 121 -3.771 -10.024 6.473 1.00 0.09 N ATOM 510 CA ALA A 121 -3.939 -11.439 6.153 1.00 0.11 C ATOM 511 C ALA A 121 -2.703 -12.010 5.452 1.00 0.11 C ATOM 512 O ALA A 121 -2.473 -13.221 5.468 1.00 0.13 O ATOM 513 CB ALA A 121 -5.164 -11.629 5.270 1.00 0.14 C ATOM 0 H ALA A 121 -4.492 -9.419 6.080 1.00 0.09 H new ATOM 0 HA ALA A 121 -4.073 -11.979 7.091 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.283 -12.687 5.035 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -6.050 -11.272 5.795 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -5.038 -11.064 4.346 1.00 0.14 H new ATOM 519 N PHE A 122 -1.912 -11.139 4.838 1.00 0.08 N ATOM 520 CA PHE A 122 -0.716 -11.559 4.120 1.00 0.09 C ATOM 521 C PHE A 122 0.489 -11.576 5.046 1.00 0.10 C ATOM 522 O PHE A 122 1.391 -12.402 4.898 1.00 0.18 O ATOM 523 CB PHE A 122 -0.467 -10.628 2.932 1.00 0.09 C ATOM 524 CG PHE A 122 -1.673 -10.497 2.057 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.160 -11.585 1.354 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.297 -9.274 1.909 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.249 -11.455 0.519 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.389 -9.139 1.079 1.00 0.12 C ATOM 529 CZ PHE A 122 -3.952 -10.282 0.492 1.00 0.13 C ATOM 0 H PHE A 122 -2.079 -10.133 4.823 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.870 -12.572 3.748 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.177 -9.643 3.298 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.368 -11.008 2.343 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.681 -12.547 1.461 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.926 -8.415 2.449 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.547 -12.278 -0.113 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.807 -8.163 0.882 1.00 0.12 H new ATOM 0 HZ PHE A 122 -4.925 -10.236 0.026 1.00 0.13 H new ATOM 539 N GLY A 123 0.485 -10.675 6.014 1.00 0.09 N ATOM 540 CA GLY A 123 1.566 -10.598 6.969 1.00 0.10 C ATOM 541 C GLY A 123 1.330 -9.502 7.981 1.00 0.09 C ATOM 542 O GLY A 123 0.463 -8.652 7.779 1.00 0.11 O ATOM 0 H GLY A 123 -0.257 -9.989 6.155 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.668 -11.554 7.483 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.504 -10.416 6.445 1.00 0.10 H new ATOM 546 N ASN A 124 2.085 -9.524 9.068 1.00 0.13 N ATOM 547 CA ASN A 124 1.973 -8.501 10.100 1.00 0.14 C ATOM 548 C ASN A 124 2.329 -7.138 9.522 1.00 0.11 C ATOM 549 O ASN A 124 3.242 -7.015 8.706 1.00 0.14 O ATOM 550 CB ASN A 124 2.884 -8.835 11.288 1.00 0.18 C ATOM 551 CG ASN A 124 2.794 -7.811 12.407 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.754 -7.187 12.613 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.882 -7.640 13.144 1.00 0.25 N ATOM 0 H ASN A 124 2.785 -10.241 9.260 1.00 0.13 H new ATOM 0 HA ASN A 124 0.943 -8.473 10.457 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.618 -9.817 11.679 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.916 -8.898 10.942 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.876 -6.971 13.914 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.725 -8.177 12.941 1.00 0.25 H new ATOM 560 N ILE A 125 1.595 -6.128 9.936 1.00 0.11 N ATOM 561 CA ILE A 125 1.779 -4.790 9.417 1.00 0.10 C ATOM 562 C ILE A 125 2.280 -3.856 10.508 1.00 0.11 C ATOM 563 O ILE A 125 1.761 -3.863 11.627 1.00 0.14 O ATOM 564 CB ILE A 125 0.459 -4.257 8.836 1.00 0.11 C ATOM 565 CG1 ILE A 125 0.073 -5.066 7.592 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.569 -2.773 8.518 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.299 -4.737 7.047 1.00 0.11 C ATOM 0 H ILE A 125 0.859 -6.210 10.637 1.00 0.11 H new ATOM 0 HA ILE A 125 2.525 -4.831 8.623 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.328 -4.374 9.581 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.814 -4.891 6.812 1.00 0.10 H new ATOM 0 HG13 ILE A 125 0.111 -6.128 7.835 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.376 -2.418 8.108 1.00 0.14 H new ATOM 0 HG22 ILE A 125 0.799 -2.222 9.430 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.363 -2.615 7.788 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.498 -5.350 6.168 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.051 -4.940 7.809 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.338 -3.683 6.770 1.00 0.11 H new ATOM 579 N LEU A 126 3.292 -3.060 10.186 1.00 0.13 N ATOM 580 CA LEU A 126 3.858 -2.139 11.160 1.00 0.15 C ATOM 581 C LEU A 126 3.139 -0.803 11.057 1.00 0.16 C ATOM 582 O LEU A 126 2.893 -0.133 12.060 1.00 0.24 O ATOM 583 CB LEU A 126 5.370 -1.911 10.950 1.00 0.19 C ATOM 584 CG LEU A 126 6.265 -3.146 10.717 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.667 -4.423 11.289 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.582 -3.293 9.239 1.00 0.54 C ATOM 0 H LEU A 126 3.733 -3.034 9.267 1.00 0.13 H new ATOM 0 HA LEU A 126 3.725 -2.583 12.146 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.491 -1.245 10.096 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.752 -1.382 11.823 1.00 0.19 H new ATOM 0 HG LEU A 126 7.195 -2.981 11.260 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.340 -5.258 11.095 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.529 -4.310 12.364 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.703 -4.616 10.818 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.214 -4.168 9.088 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.655 -3.414 8.678 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.105 -2.403 8.889 1.00 0.54 H new ATOM 598 N SER A 127 2.801 -0.427 9.826 1.00 0.14 N ATOM 599 CA SER A 127 2.154 0.850 9.553 1.00 0.17 C ATOM 600 C SER A 127 1.434 0.829 8.202 1.00 0.19 C ATOM 601 O SER A 127 2.071 0.759 7.155 1.00 0.37 O ATOM 602 CB SER A 127 3.191 1.980 9.552 1.00 0.19 C ATOM 603 OG SER A 127 3.811 2.123 10.820 1.00 0.76 O ATOM 0 H SER A 127 2.967 -0.996 8.996 1.00 0.14 H new ATOM 0 HA SER A 127 1.419 1.023 10.339 1.00 0.17 H new ATOM 0 HB2 SER A 127 3.950 1.777 8.796 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.708 2.917 9.275 1.00 0.19 H new ATOM 0 HG SER A 127 3.455 1.449 11.436 1.00 0.76 H new ATOM 609 N CYS A 128 0.111 0.864 8.229 1.00 0.18 N ATOM 610 CA CYS A 128 -0.663 1.073 7.001 1.00 0.17 C ATOM 611 C CYS A 128 -1.288 2.453 7.025 1.00 0.16 C ATOM 612 O CYS A 128 -1.673 2.953 8.084 1.00 0.28 O ATOM 613 CB CYS A 128 -1.753 0.011 6.766 1.00 0.21 C ATOM 614 SG CYS A 128 -1.135 -1.573 6.189 1.00 0.72 S ATOM 0 H CYS A 128 -0.450 0.753 9.074 1.00 0.18 H new ATOM 0 HA CYS A 128 0.038 0.980 6.172 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.299 -0.143 7.697 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -2.467 0.396 6.038 1.00 0.21 H new ATOM 0 HG CYS A 128 -2.136 -2.359 5.924 1.00 0.72 H new ATOM 620 N LYS A 129 -1.376 3.072 5.863 1.00 0.13 N ATOM 621 CA LYS A 129 -1.867 4.429 5.777 1.00 0.14 C ATOM 622 C LYS A 129 -2.851 4.592 4.628 1.00 0.12 C ATOM 623 O LYS A 129 -2.595 4.158 3.508 1.00 0.12 O ATOM 624 CB LYS A 129 -0.698 5.401 5.594 1.00 0.18 C ATOM 625 CG LYS A 129 -1.100 6.867 5.602 1.00 0.23 C ATOM 626 CD LYS A 129 -1.368 7.369 7.012 1.00 0.36 C ATOM 627 CE LYS A 129 -1.659 8.861 7.029 1.00 0.47 C ATOM 628 NZ LYS A 129 -1.905 9.356 8.409 1.00 1.00 N ATOM 0 H LYS A 129 -1.114 2.656 4.969 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.388 4.654 6.708 1.00 0.14 H new ATOM 0 HB2 LYS A 129 0.029 5.231 6.388 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.199 5.178 4.651 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.309 7.464 5.147 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -1.993 7.003 4.992 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.213 6.828 7.437 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -0.505 7.159 7.644 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -0.819 9.401 6.593 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -2.529 9.069 6.407 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -2.100 10.377 8.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -2.722 8.858 8.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -1.065 9.179 8.996 1.00 1.00 H new ATOM 642 N VAL A 130 -3.973 5.215 4.931 1.00 0.15 N ATOM 643 CA VAL A 130 -4.913 5.672 3.933 1.00 0.17 C ATOM 644 C VAL A 130 -4.916 7.179 4.004 1.00 0.20 C ATOM 645 O VAL A 130 -5.356 7.767 4.991 1.00 0.24 O ATOM 646 CB VAL A 130 -6.351 5.144 4.147 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.291 5.713 3.088 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.384 3.622 4.123 1.00 0.21 C ATOM 0 H VAL A 130 -4.258 5.419 5.889 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.601 5.293 2.960 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.689 5.475 5.129 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.299 5.331 3.253 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.299 6.801 3.156 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.947 5.414 2.098 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.407 3.278 4.276 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -6.021 3.265 3.159 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.747 3.232 4.917 1.00 0.21 H new ATOM 658 N VAL A 131 -4.378 7.793 2.982 1.00 0.21 N ATOM 659 CA VAL A 131 -4.158 9.218 2.990 1.00 0.27 C ATOM 660 C VAL A 131 -5.456 9.945 2.686 1.00 0.33 C ATOM 661 O VAL A 131 -6.206 9.552 1.786 1.00 0.33 O ATOM 662 CB VAL A 131 -3.052 9.574 1.989 1.00 0.28 C ATOM 663 CG1 VAL A 131 -2.614 11.023 2.141 1.00 0.34 C ATOM 664 CG2 VAL A 131 -1.882 8.625 2.201 1.00 0.25 C ATOM 0 H VAL A 131 -4.082 7.324 2.126 1.00 0.21 H new ATOM 0 HA VAL A 131 -3.828 9.537 3.979 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.434 9.464 0.974 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -1.829 11.244 1.417 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -3.465 11.681 1.965 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.233 11.184 3.150 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.086 8.865 1.496 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.508 8.730 3.220 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.212 7.599 2.040 1.00 0.25 H new ATOM 766 N GLY A 139 -7.330 8.465 -2.349 1.00 0.27 N ATOM 767 CA GLY A 139 -7.468 7.435 -3.363 1.00 0.26 C ATOM 768 C GLY A 139 -6.365 6.396 -3.310 1.00 0.21 C ATOM 769 O GLY A 139 -6.472 5.340 -3.929 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.431 6.940 -3.241 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.472 7.902 -4.348 1.00 0.26 H new ATOM 773 N TYR A 140 -5.309 6.685 -2.571 1.00 0.19 N ATOM 774 CA TYR A 140 -4.163 5.795 -2.507 1.00 0.15 C ATOM 775 C TYR A 140 -3.733 5.566 -1.065 1.00 0.13 C ATOM 776 O TYR A 140 -3.970 6.408 -0.192 1.00 0.16 O ATOM 777 CB TYR A 140 -3.003 6.352 -3.340 1.00 0.19 C ATOM 778 CG TYR A 140 -2.677 7.803 -3.064 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.332 8.822 -3.746 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.710 8.154 -2.129 1.00 0.31 C ATOM 781 CE1 TYR A 140 -3.032 10.148 -3.505 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.405 9.478 -1.883 1.00 0.39 C ATOM 783 CZ TYR A 140 -2.068 10.471 -2.572 1.00 0.41 C ATOM 784 OH TYR A 140 -1.773 11.790 -2.327 1.00 0.49 O ATOM 0 H TYR A 140 -5.221 7.530 -2.006 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.455 4.832 -2.927 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -2.114 5.750 -3.151 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -3.244 6.241 -4.397 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.088 8.572 -4.476 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -1.189 7.379 -1.586 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.549 10.928 -4.044 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.650 9.734 -1.154 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.074 11.847 -1.643 1.00 0.49 H new ATOM 794 N GLY A 141 -3.112 4.422 -0.822 1.00 0.11 N ATOM 795 CA GLY A 141 -2.679 4.072 0.514 1.00 0.11 C ATOM 796 C GLY A 141 -1.351 3.347 0.505 1.00 0.10 C ATOM 797 O GLY A 141 -0.836 3.011 -0.559 1.00 0.12 O ATOM 0 H GLY A 141 -2.899 3.724 -1.534 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.595 4.976 1.117 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.433 3.443 0.987 1.00 0.11 H new ATOM 801 N PHE A 142 -0.797 3.101 1.686 1.00 0.10 N ATOM 802 CA PHE A 142 0.513 2.470 1.806 1.00 0.10 C ATOM 803 C PHE A 142 0.495 1.388 2.884 1.00 0.10 C ATOM 804 O PHE A 142 -0.190 1.533 3.896 1.00 0.14 O ATOM 805 CB PHE A 142 1.576 3.512 2.168 1.00 0.12 C ATOM 806 CG PHE A 142 1.616 4.705 1.249 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.014 4.568 -0.074 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.251 5.960 1.707 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.045 5.662 -0.918 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.281 7.057 0.866 1.00 0.25 C ATOM 811 CZ PHE A 142 1.702 6.906 -0.449 1.00 0.22 C ATOM 0 H PHE A 142 -1.236 3.330 2.578 1.00 0.10 H new ATOM 0 HA PHE A 142 0.754 2.018 0.844 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.396 3.858 3.186 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.555 3.032 2.163 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.302 3.597 -0.447 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.939 6.083 2.734 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.340 5.538 -1.950 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.978 8.028 1.230 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.759 7.765 -1.101 1.00 0.22 H new ATOM 821 N VAL A 143 1.229 0.302 2.659 1.00 0.08 N ATOM 822 CA VAL A 143 1.404 -0.726 3.684 1.00 0.08 C ATOM 823 C VAL A 143 2.868 -0.875 4.067 1.00 0.08 C ATOM 824 O VAL A 143 3.751 -0.859 3.209 1.00 0.09 O ATOM 825 CB VAL A 143 0.891 -2.109 3.229 1.00 0.08 C ATOM 826 CG1 VAL A 143 0.976 -3.132 4.361 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.529 -2.008 2.720 1.00 0.10 C ATOM 0 H VAL A 143 1.711 0.110 1.781 1.00 0.08 H new ATOM 0 HA VAL A 143 0.817 -0.392 4.539 1.00 0.08 H new ATOM 0 HB VAL A 143 1.532 -2.450 2.416 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.608 -4.096 4.009 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.013 -3.235 4.681 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.368 -2.796 5.201 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.873 -2.993 2.404 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.175 -1.636 3.515 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.564 -1.322 1.873 1.00 0.10 H new ATOM 837 N HIS A 144 3.116 -0.982 5.360 1.00 0.09 N ATOM 838 CA HIS A 144 4.409 -1.406 5.854 1.00 0.10 C ATOM 839 C HIS A 144 4.302 -2.821 6.376 1.00 0.10 C ATOM 840 O HIS A 144 3.729 -3.050 7.443 1.00 0.11 O ATOM 841 CB HIS A 144 4.893 -0.489 6.971 1.00 0.12 C ATOM 842 CG HIS A 144 5.868 0.530 6.507 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.055 1.061 5.285 1.00 0.18 N flip ATOM 844 CD2 HIS A 144 6.801 1.116 7.330 1.00 0.17 C flip ATOM 845 CE1 HIS A 144 7.086 1.960 5.384 1.00 0.21 C flip ATOM 846 NE2 HIS A 144 7.519 1.969 6.632 1.00 0.21 N flip ATOM 0 H HIS A 144 2.432 -0.779 6.089 1.00 0.09 H new ATOM 0 HA HIS A 144 5.127 -1.360 5.035 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.035 0.014 7.417 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.352 -1.092 7.755 1.00 0.12 H new ATOM 0 HD2 HIS A 144 6.925 0.909 8.383 1.00 0.17 H new ATOM 0 HE1 HIS A 144 7.478 2.560 4.576 1.00 0.21 H new ATOM 0 HE2 HIS A 144 8.282 2.541 6.994 1.00 0.21 H new ATOM 855 N PHE A 145 4.843 -3.766 5.636 1.00 0.10 N ATOM 856 CA PHE A 145 4.796 -5.150 6.053 1.00 0.10 C ATOM 857 C PHE A 145 5.989 -5.508 6.905 1.00 0.13 C ATOM 858 O PHE A 145 7.118 -5.103 6.628 1.00 0.17 O ATOM 859 CB PHE A 145 4.703 -6.089 4.856 1.00 0.10 C ATOM 860 CG PHE A 145 3.295 -6.358 4.420 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.472 -7.185 5.157 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.794 -5.769 3.272 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.174 -7.424 4.757 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.497 -6.002 2.867 1.00 0.10 C ATOM 865 CZ PHE A 145 0.693 -6.881 3.613 1.00 0.10 C ATOM 0 H PHE A 145 5.318 -3.602 4.748 1.00 0.10 H new ATOM 0 HA PHE A 145 3.895 -5.273 6.655 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.258 -5.659 4.022 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.185 -7.034 5.106 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.848 -7.650 6.056 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.427 -5.119 2.686 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.535 -8.050 5.362 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.103 -5.515 1.987 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.304 -7.122 3.276 1.00 0.10 H new ATOM 875 N GLU A 146 5.699 -6.254 7.957 1.00 0.13 N ATOM 876 CA GLU A 146 6.711 -6.748 8.894 1.00 0.17 C ATOM 877 C GLU A 146 7.885 -7.368 8.150 1.00 0.19 C ATOM 878 O GLU A 146 9.048 -7.185 8.516 1.00 0.22 O ATOM 879 CB GLU A 146 6.081 -7.786 9.822 1.00 0.22 C ATOM 880 CG GLU A 146 7.040 -8.408 10.820 1.00 0.30 C ATOM 881 CD GLU A 146 6.362 -9.451 11.679 1.00 0.37 C ATOM 882 OE1 GLU A 146 6.048 -10.541 11.160 1.00 0.57 O ATOM 883 OE2 GLU A 146 6.132 -9.183 12.875 1.00 0.38 O ATOM 0 H GLU A 146 4.749 -6.540 8.193 1.00 0.13 H new ATOM 0 HA GLU A 146 7.083 -5.907 9.479 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.263 -7.316 10.369 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.645 -8.579 9.215 1.00 0.22 H new ATOM 0 HG2 GLU A 146 7.874 -8.864 10.286 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.457 -7.628 11.457 1.00 0.30 H new ATOM 890 N THR A 147 7.565 -8.094 7.102 1.00 0.22 N ATOM 891 CA THR A 147 8.573 -8.717 6.267 1.00 0.26 C ATOM 892 C THR A 147 8.471 -8.221 4.829 1.00 0.23 C ATOM 893 O THR A 147 7.399 -7.822 4.368 1.00 0.21 O ATOM 894 CB THR A 147 8.460 -10.253 6.284 1.00 0.33 C ATOM 895 OG1 THR A 147 7.130 -10.660 5.931 1.00 0.40 O ATOM 896 CG2 THR A 147 8.818 -10.808 7.648 1.00 0.35 C ATOM 0 H THR A 147 6.605 -8.270 6.804 1.00 0.22 H new ATOM 0 HA THR A 147 9.542 -8.436 6.680 1.00 0.26 H new ATOM 0 HB THR A 147 9.163 -10.649 5.551 1.00 0.33 H new ATOM 0 HG1 THR A 147 7.073 -11.638 5.944 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.730 -11.894 7.633 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.842 -10.530 7.897 1.00 0.35 H new ATOM 0 HG23 THR A 147 8.139 -10.399 8.397 1.00 0.35 H new ATOM 904 N GLN A 148 9.592 -8.251 4.126 1.00 0.24 N ATOM 905 CA GLN A 148 9.646 -7.795 2.747 1.00 0.23 C ATOM 906 C GLN A 148 8.834 -8.727 1.843 1.00 0.21 C ATOM 907 O GLN A 148 8.200 -8.280 0.884 1.00 0.21 O ATOM 908 CB GLN A 148 11.108 -7.730 2.288 1.00 0.28 C ATOM 909 CG GLN A 148 11.312 -7.071 0.934 1.00 0.31 C ATOM 910 CD GLN A 148 10.777 -5.653 0.885 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.476 -4.692 1.195 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.522 -5.520 0.505 1.00 0.38 N ATOM 0 H GLN A 148 10.482 -8.589 4.491 1.00 0.24 H new ATOM 0 HA GLN A 148 9.209 -6.799 2.680 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.687 -7.186 3.034 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.510 -8.743 2.250 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.376 -7.062 0.696 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.819 -7.667 0.167 1.00 0.31 H new ATOM 0 HE21 GLN A 148 8.975 -6.344 0.255 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.098 -4.593 0.460 1.00 0.38 H new ATOM 921 N GLU A 149 8.846 -10.019 2.166 1.00 0.22 N ATOM 922 CA GLU A 149 8.134 -11.018 1.372 1.00 0.22 C ATOM 923 C GLU A 149 6.615 -10.879 1.515 1.00 0.18 C ATOM 924 O GLU A 149 5.876 -11.105 0.556 1.00 0.17 O ATOM 925 CB GLU A 149 8.593 -12.434 1.728 1.00 0.28 C ATOM 926 CG GLU A 149 8.183 -12.881 3.108 1.00 0.35 C ATOM 927 CD GLU A 149 8.535 -14.327 3.384 1.00 0.47 C ATOM 928 OE1 GLU A 149 7.811 -15.222 2.904 1.00 0.74 O ATOM 929 OE2 GLU A 149 9.535 -14.578 4.085 1.00 0.62 O ATOM 0 H GLU A 149 9.341 -10.399 2.973 1.00 0.22 H new ATOM 0 HA GLU A 149 8.380 -10.836 0.326 1.00 0.22 H new ATOM 0 HB2 GLU A 149 8.187 -13.132 0.995 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.679 -12.484 1.648 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.667 -12.246 3.850 1.00 0.35 H new ATOM 0 HG3 GLU A 149 7.108 -12.745 3.225 1.00 0.35 H new ATOM 936 N ALA A 150 6.152 -10.495 2.709 1.00 0.17 N ATOM 937 CA ALA A 150 4.720 -10.321 2.961 1.00 0.15 C ATOM 938 C ALA A 150 4.147 -9.230 2.069 1.00 0.13 C ATOM 939 O ALA A 150 3.006 -9.318 1.612 1.00 0.13 O ATOM 940 CB ALA A 150 4.474 -9.994 4.424 1.00 0.18 C ATOM 0 H ALA A 150 6.747 -10.299 3.514 1.00 0.17 H new ATOM 0 HA ALA A 150 4.214 -11.257 2.725 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.405 -9.868 4.594 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.847 -10.808 5.046 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.994 -9.072 4.683 1.00 0.18 H new ATOM 946 N ALA A 151 4.957 -8.212 1.814 1.00 0.13 N ATOM 947 CA ALA A 151 4.568 -7.119 0.938 1.00 0.13 C ATOM 948 C ALA A 151 4.346 -7.619 -0.479 1.00 0.12 C ATOM 949 O ALA A 151 3.349 -7.289 -1.115 1.00 0.13 O ATOM 950 CB ALA A 151 5.633 -6.042 0.957 1.00 0.16 C ATOM 0 H ALA A 151 5.895 -8.122 2.206 1.00 0.13 H new ATOM 0 HA ALA A 151 3.630 -6.698 1.300 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.336 -5.225 0.299 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.751 -5.665 1.973 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.579 -6.460 0.613 1.00 0.16 H new ATOM 956 N GLU A 152 5.283 -8.421 -0.960 1.00 0.13 N ATOM 957 CA GLU A 152 5.173 -9.027 -2.276 1.00 0.14 C ATOM 958 C GLU A 152 3.915 -9.888 -2.379 1.00 0.12 C ATOM 959 O GLU A 152 3.260 -9.901 -3.418 1.00 0.15 O ATOM 960 CB GLU A 152 6.422 -9.854 -2.575 1.00 0.18 C ATOM 961 CG GLU A 152 7.700 -9.032 -2.519 1.00 0.26 C ATOM 962 CD GLU A 152 8.935 -9.825 -2.887 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.261 -9.909 -4.088 1.00 0.95 O ATOM 964 OE2 GLU A 152 9.599 -10.354 -1.975 1.00 1.42 O ATOM 0 H GLU A 152 6.133 -8.668 -0.454 1.00 0.13 H new ATOM 0 HA GLU A 152 5.092 -8.233 -3.018 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.490 -10.673 -1.859 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.327 -10.303 -3.564 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.607 -8.182 -3.195 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.821 -8.629 -1.514 1.00 0.26 H new ATOM 971 N ARG A 153 3.572 -10.590 -1.294 1.00 0.10 N ATOM 972 CA ARG A 153 2.334 -11.371 -1.245 1.00 0.12 C ATOM 973 C ARG A 153 1.124 -10.469 -1.457 1.00 0.11 C ATOM 974 O ARG A 153 0.206 -10.806 -2.203 1.00 0.16 O ATOM 975 CB ARG A 153 2.162 -12.089 0.093 1.00 0.16 C ATOM 976 CG ARG A 153 3.287 -13.036 0.462 1.00 0.21 C ATOM 977 CD ARG A 153 3.022 -13.675 1.815 1.00 0.26 C ATOM 978 NE ARG A 153 4.207 -14.324 2.369 1.00 0.38 N ATOM 979 CZ ARG A 153 4.371 -14.585 3.667 1.00 0.80 C ATOM 980 NH1 ARG A 153 3.429 -14.254 4.541 1.00 1.48 N ATOM 981 NH2 ARG A 153 5.483 -15.157 4.094 1.00 0.84 N ATOM 0 H ARG A 153 4.132 -10.633 -0.442 1.00 0.10 H new ATOM 0 HA ARG A 153 2.403 -12.113 -2.041 1.00 0.12 H new ATOM 0 HB2 ARG A 153 2.065 -11.341 0.880 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.228 -12.650 0.069 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.384 -13.810 -0.300 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.233 -12.494 0.488 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.671 -12.913 2.511 1.00 0.26 H new ATOM 0 HD3 ARG A 153 2.222 -14.409 1.716 1.00 0.26 H new ATOM 0 HE ARG A 153 4.952 -14.593 1.727 1.00 0.38 H new ATOM 0 HH11 ARG A 153 2.574 -13.798 4.222 1.00 1.48 H new ATOM 0 HH12 ARG A 153 3.559 -14.456 5.532 1.00 1.48 H new ATOM 0 HH21 ARG A 153 6.219 -15.400 3.431 1.00 0.84 H new ATOM 0 HH22 ARG A 153 5.606 -15.355 5.087 1.00 0.84 H new ATOM 995 N ALA A 154 1.125 -9.327 -0.782 1.00 0.09 N ATOM 996 CA ALA A 154 0.039 -8.368 -0.909 1.00 0.09 C ATOM 997 C ALA A 154 -0.020 -7.816 -2.326 1.00 0.09 C ATOM 998 O ALA A 154 -1.097 -7.586 -2.865 1.00 0.10 O ATOM 999 CB ALA A 154 0.196 -7.241 0.099 1.00 0.10 C ATOM 0 H ALA A 154 1.866 -9.043 -0.141 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.899 -8.882 -0.700 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.627 -6.535 -0.013 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.186 -7.652 1.109 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.141 -6.727 -0.074 1.00 0.10 H new ATOM 1005 N ILE A 155 1.146 -7.619 -2.927 1.00 0.09 N ATOM 1006 CA ILE A 155 1.223 -7.134 -4.296 1.00 0.10 C ATOM 1007 C ILE A 155 0.584 -8.125 -5.266 1.00 0.11 C ATOM 1008 O ILE A 155 -0.321 -7.764 -6.011 1.00 0.14 O ATOM 1009 CB ILE A 155 2.684 -6.863 -4.714 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.265 -5.726 -3.872 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.768 -6.528 -6.198 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.721 -5.434 -4.155 1.00 0.15 C ATOM 0 H ILE A 155 2.051 -7.788 -2.487 1.00 0.09 H new ATOM 0 HA ILE A 155 0.670 -6.195 -4.337 1.00 0.10 H new ATOM 0 HB ILE A 155 3.270 -7.765 -4.539 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.683 -4.822 -4.049 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.153 -5.975 -2.817 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.807 -6.341 -6.470 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.385 -7.365 -6.782 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.173 -5.639 -6.404 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.058 -4.616 -3.519 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.317 -6.323 -3.950 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.839 -5.152 -5.201 1.00 0.15 H new ATOM 1024 N GLU A 156 1.025 -9.378 -5.230 1.00 0.11 N ATOM 1025 CA GLU A 156 0.476 -10.393 -6.122 1.00 0.13 C ATOM 1026 C GLU A 156 -1.015 -10.586 -5.900 1.00 0.12 C ATOM 1027 O GLU A 156 -1.794 -10.669 -6.849 1.00 0.15 O ATOM 1028 CB GLU A 156 1.185 -11.749 -5.970 1.00 0.17 C ATOM 1029 CG GLU A 156 1.601 -12.109 -4.553 1.00 0.21 C ATOM 1030 CD GLU A 156 2.006 -13.562 -4.410 1.00 0.62 C ATOM 1031 OE1 GLU A 156 1.114 -14.440 -4.449 1.00 1.08 O ATOM 1032 OE2 GLU A 156 3.214 -13.840 -4.254 1.00 0.63 O ATOM 0 H GLU A 156 1.754 -9.713 -4.600 1.00 0.11 H new ATOM 0 HA GLU A 156 0.646 -10.024 -7.133 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.525 -12.530 -6.347 1.00 0.17 H new ATOM 0 HB3 GLU A 156 2.072 -11.749 -6.603 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.434 -11.473 -4.251 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.776 -11.898 -3.873 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.401 -10.644 -4.645 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.748 -11.025 -4.286 1.00 0.10 C ATOM 1041 C LYS A 157 -3.749 -9.869 -4.384 1.00 0.08 C ATOM 1042 O LYS A 157 -4.873 -10.061 -4.840 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.748 -11.603 -2.874 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.504 -12.915 -2.769 1.00 0.17 C ATOM 1045 CD LYS A 157 -4.970 -12.761 -3.161 1.00 0.21 C ATOM 1046 CE LYS A 157 -5.864 -12.408 -1.975 1.00 0.29 C ATOM 1047 NZ LYS A 157 -5.824 -13.449 -0.911 1.00 1.16 N ATOM 0 H LYS A 157 -0.797 -10.431 -3.852 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.075 -11.775 -5.006 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.719 -11.757 -2.550 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.192 -10.879 -2.191 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.033 -13.658 -3.412 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.439 -13.290 -1.748 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.059 -11.985 -3.921 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.321 -13.690 -3.611 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.550 -11.452 -1.557 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -6.890 -12.283 -2.320 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -6.793 -13.748 -0.681 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -5.280 -14.269 -1.248 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.371 -13.059 -0.060 1.00 1.16 H new ATOM 1061 N MET A 158 -3.347 -8.674 -3.984 1.00 0.07 N ATOM 1062 CA MET A 158 -4.288 -7.556 -3.912 1.00 0.08 C ATOM 1063 C MET A 158 -4.313 -6.731 -5.186 1.00 0.09 C ATOM 1064 O MET A 158 -5.302 -6.052 -5.461 1.00 0.13 O ATOM 1065 CB MET A 158 -3.987 -6.645 -2.722 1.00 0.09 C ATOM 1066 CG MET A 158 -4.266 -7.293 -1.381 1.00 0.10 C ATOM 1067 SD MET A 158 -5.996 -7.767 -1.188 1.00 0.35 S ATOM 1068 CE MET A 158 -6.794 -6.169 -1.337 1.00 0.18 C ATOM 0 H MET A 158 -2.391 -8.449 -3.707 1.00 0.07 H new ATOM 0 HA MET A 158 -5.273 -8.005 -3.781 1.00 0.08 H new ATOM 0 HB2 MET A 158 -2.940 -6.344 -2.761 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.584 -5.737 -2.809 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.636 -8.176 -1.270 1.00 0.10 H new ATOM 0 HG3 MET A 158 -3.991 -6.603 -0.584 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.860 -6.274 -1.134 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.355 -5.475 -0.621 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.653 -5.785 -2.347 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.243 -6.774 -5.965 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.202 -6.001 -7.195 1.00 0.10 C ATOM 1080 C ASN A 159 -4.226 -6.551 -8.182 1.00 0.13 C ATOM 1081 O ASN A 159 -4.198 -7.735 -8.521 1.00 0.16 O ATOM 1082 CB ASN A 159 -1.802 -6.040 -7.812 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.677 -5.143 -9.030 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.411 -4.168 -9.165 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.732 -5.444 -9.910 1.00 0.38 N ATOM 0 H ASN A 159 -2.407 -7.325 -5.772 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.445 -4.964 -6.964 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.070 -5.735 -7.064 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.561 -7.065 -8.094 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.596 -4.857 -10.733 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.141 -6.263 -9.764 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.126 -5.691 -8.634 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.154 -6.110 -9.567 1.00 0.19 C ATOM 1094 C GLY A 160 -7.401 -6.624 -8.870 1.00 0.22 C ATOM 1095 O GLY A 160 -8.303 -7.161 -9.512 1.00 0.29 O ATOM 0 H GLY A 160 -5.164 -4.706 -8.371 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.421 -5.270 -10.209 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -5.756 -6.892 -10.214 1.00 0.19 H new ATOM 1099 N MET A 161 -7.456 -6.460 -7.557 1.00 0.22 N ATOM 1100 CA MET A 161 -8.603 -6.892 -6.777 1.00 0.27 C ATOM 1101 C MET A 161 -9.564 -5.754 -6.527 1.00 0.24 C ATOM 1102 O MET A 161 -9.251 -4.598 -6.786 1.00 0.23 O ATOM 1103 CB MET A 161 -8.155 -7.455 -5.443 1.00 0.32 C ATOM 1104 CG MET A 161 -7.695 -8.906 -5.484 1.00 0.68 C ATOM 1105 SD MET A 161 -8.989 -10.055 -6.006 1.00 1.18 S ATOM 1106 CE MET A 161 -8.563 -10.317 -7.730 1.00 1.04 C ATOM 0 H MET A 161 -6.714 -6.028 -7.007 1.00 0.22 H new ATOM 0 HA MET A 161 -9.113 -7.663 -7.355 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.340 -6.841 -5.061 1.00 0.32 H new ATOM 0 HB3 MET A 161 -8.978 -7.369 -4.734 1.00 0.32 H new ATOM 0 HG2 MET A 161 -6.848 -8.992 -6.164 1.00 0.68 H new ATOM 0 HG3 MET A 161 -7.340 -9.195 -4.495 1.00 0.68 H new ATOM 0 HE1 MET A 161 -9.470 -10.312 -8.334 1.00 1.04 H new ATOM 0 HE2 MET A 161 -7.899 -9.520 -8.066 1.00 1.04 H new ATOM 0 HE3 MET A 161 -8.060 -11.278 -7.839 1.00 1.04 H new ATOM 1116 N LEU A 162 -10.721 -6.093 -5.993 1.00 0.26 N ATOM 1117 CA LEU A 162 -11.725 -5.112 -5.670 1.00 0.26 C ATOM 1118 C LEU A 162 -11.759 -4.905 -4.184 1.00 0.28 C ATOM 1119 O LEU A 162 -11.871 -5.861 -3.416 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.121 -5.546 -6.118 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.391 -5.502 -7.614 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -14.834 -5.858 -7.881 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.100 -4.126 -8.161 1.00 0.34 C ATOM 0 H LEU A 162 -10.986 -7.053 -5.774 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.460 -4.194 -6.195 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.291 -6.565 -5.769 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -13.853 -4.911 -5.619 1.00 0.31 H new ATOM 0 HG LEU A 162 -12.740 -6.222 -8.109 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -15.024 -5.826 -8.954 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -15.036 -6.862 -7.507 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.484 -5.144 -7.375 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.298 -4.111 -9.233 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -13.737 -3.395 -7.664 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.054 -3.877 -7.982 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.645 -3.674 -3.774 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.920 -3.348 -2.409 1.00 0.33 C ATOM 1137 C LEU A 163 -13.200 -2.545 -2.345 1.00 0.45 C ATOM 1138 O LEU A 163 -13.245 -1.405 -2.817 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.765 -2.591 -1.757 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.744 -3.483 -1.051 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.568 -2.665 -0.552 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.404 -4.218 0.105 1.00 0.34 C ATOM 0 H LEU A 163 -11.366 -2.888 -4.361 1.00 0.25 H new ATOM 0 HA LEU A 163 -12.039 -4.274 -1.846 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.252 -2.007 -2.521 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -11.172 -1.883 -1.035 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.370 -4.214 -1.768 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.854 -3.321 -0.053 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.082 -2.175 -1.395 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.922 -1.911 0.152 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.668 -4.851 0.601 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.800 -3.494 0.818 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -11.218 -4.836 -0.274 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.251 -3.187 -1.840 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.557 -2.553 -1.634 1.00 0.42 C ATOM 1156 C ASN A 164 -16.348 -2.449 -2.934 1.00 0.45 C ATOM 1157 O ASN A 164 -17.572 -2.591 -2.941 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.396 -1.173 -0.980 1.00 0.49 C ATOM 1159 CG ASN A 164 -14.837 -1.246 0.432 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -14.150 -2.199 0.803 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -15.106 -0.228 1.226 1.00 1.07 N ATOM 0 H ASN A 164 -14.223 -4.167 -1.560 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.126 -3.191 -0.958 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.736 -0.561 -1.595 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.364 -0.673 -0.956 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.742 -0.214 2.179 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -15.678 0.546 0.887 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.620 -2.251 -4.020 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.192 -2.068 -5.364 1.00 0.44 C ATOM 1170 C ASP A 165 -15.139 -1.588 -6.369 1.00 0.43 C ATOM 1171 O ASP A 165 -15.297 -1.764 -7.576 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.357 -1.067 -5.334 1.00 0.55 C ATOM 1173 CG ASP A 165 -17.966 -0.811 -6.703 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.541 -1.744 -7.297 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -17.872 0.335 -7.191 1.00 0.85 O ATOM 0 H ASP A 165 -14.601 -2.211 -4.004 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.560 -3.043 -5.685 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.131 -1.441 -4.664 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -17.005 -0.123 -4.918 1.00 0.55 H new ATOM 1180 N ARG A 166 -14.055 -1.010 -5.867 1.00 0.32 N ATOM 1181 CA ARG A 166 -13.033 -0.414 -6.723 1.00 0.27 C ATOM 1182 C ARG A 166 -11.845 -1.350 -6.864 1.00 0.24 C ATOM 1183 O ARG A 166 -11.423 -1.973 -5.890 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.547 0.926 -6.159 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.575 2.046 -6.209 1.00 0.27 C ATOM 1186 CD ARG A 166 -12.951 3.375 -5.802 1.00 0.27 C ATOM 1187 NE ARG A 166 -13.905 4.484 -5.864 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.672 5.705 -5.376 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.536 5.976 -4.742 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.587 6.657 -5.513 1.00 0.70 N ATOM 0 H ARG A 166 -13.859 -0.940 -4.868 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.486 -0.244 -7.700 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.240 0.779 -5.124 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.662 1.238 -6.713 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -13.984 2.125 -7.216 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.407 1.812 -5.545 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.559 3.293 -4.788 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.105 3.591 -6.455 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.807 4.313 -6.309 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -11.832 5.248 -4.624 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.369 6.912 -4.373 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.466 6.455 -5.990 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.411 7.590 -5.141 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.313 -1.449 -8.072 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.169 -2.310 -8.329 1.00 0.20 C ATOM 1206 C LYS A 167 -8.890 -1.570 -7.974 1.00 0.17 C ATOM 1207 O LYS A 167 -8.592 -0.520 -8.545 1.00 0.22 O ATOM 1208 CB LYS A 167 -10.142 -2.748 -9.798 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.242 -3.946 -10.055 1.00 0.40 C ATOM 1210 CD LYS A 167 -9.392 -4.497 -11.468 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.731 -5.198 -11.674 1.00 0.53 C ATOM 1212 NZ LYS A 167 -11.806 -4.264 -12.102 1.00 1.00 N ATOM 0 H LYS A 167 -11.655 -0.944 -8.890 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.251 -3.204 -7.711 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -11.156 -2.990 -10.116 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.806 -1.913 -10.412 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.204 -3.658 -9.889 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -9.474 -4.731 -9.336 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -9.296 -3.682 -12.186 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -8.582 -5.198 -11.671 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -10.615 -5.981 -12.424 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -11.028 -5.687 -10.746 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -12.491 -4.146 -11.329 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.390 -3.341 -12.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -12.290 -4.651 -12.937 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.128 -2.122 -7.049 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.949 -1.441 -6.547 1.00 0.12 C ATOM 1228 C VAL A 168 -5.678 -2.010 -7.146 1.00 0.11 C ATOM 1229 O VAL A 168 -5.596 -3.194 -7.482 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.839 -1.502 -5.006 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.926 -0.670 -4.351 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.886 -2.940 -4.506 1.00 0.13 C ATOM 0 H VAL A 168 -8.303 -3.036 -6.631 1.00 0.13 H new ATOM 0 HA VAL A 168 -7.063 -0.400 -6.848 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.873 -1.081 -4.726 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.827 -0.730 -3.267 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.830 0.369 -4.668 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.904 -1.050 -4.647 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.806 -2.950 -3.419 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.829 -3.399 -4.805 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -6.057 -3.502 -4.936 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.696 -1.144 -7.286 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.397 -1.528 -7.787 1.00 0.12 C ATOM 1244 C PHE A 169 -2.397 -1.508 -6.643 1.00 0.10 C ATOM 1245 O PHE A 169 -2.224 -0.484 -5.988 1.00 0.12 O ATOM 1246 CB PHE A 169 -2.970 -0.567 -8.907 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.547 -0.728 -9.364 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.218 -1.644 -10.347 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.542 0.046 -8.810 1.00 0.18 C ATOM 1250 CE1 PHE A 169 0.090 -1.787 -10.770 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.767 -0.090 -9.227 1.00 0.23 C ATOM 1252 CZ PHE A 169 1.084 -1.009 -10.209 1.00 0.26 C ATOM 0 H PHE A 169 -4.778 -0.154 -7.055 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.438 -2.536 -8.200 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.630 -0.711 -9.762 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.113 0.457 -8.563 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -1.992 -2.254 -10.789 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.785 0.765 -8.042 1.00 0.18 H new ATOM 0 HE1 PHE A 169 0.335 -2.506 -11.538 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.542 0.520 -8.787 1.00 0.23 H new ATOM 0 HZ PHE A 169 2.107 -1.119 -10.537 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.754 -2.636 -6.396 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.743 -2.717 -5.353 1.00 0.10 C ATOM 1264 C VAL A 170 0.607 -3.000 -5.987 1.00 0.11 C ATOM 1265 O VAL A 170 0.757 -3.954 -6.749 1.00 0.13 O ATOM 1266 CB VAL A 170 -1.045 -3.820 -4.305 1.00 0.10 C ATOM 1267 CG1 VAL A 170 -0.003 -3.812 -3.196 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.436 -3.662 -3.714 1.00 0.09 C ATOM 0 H VAL A 170 -1.913 -3.508 -6.902 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.743 -1.760 -4.831 1.00 0.10 H new ATOM 0 HB VAL A 170 -1.003 -4.779 -4.822 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.235 -4.594 -2.473 1.00 0.11 H new ATOM 0 HG12 VAL A 170 0.984 -3.994 -3.622 1.00 0.11 H new ATOM 0 HG13 VAL A 170 -0.010 -2.843 -2.697 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.613 -4.452 -2.984 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.515 -2.691 -3.225 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.179 -3.730 -4.509 1.00 0.09 H new ATOM 1278 N GLY A 171 1.576 -2.157 -5.691 1.00 0.12 N ATOM 1279 CA GLY A 171 2.894 -2.329 -6.250 1.00 0.14 C ATOM 1280 C GLY A 171 3.974 -1.880 -5.298 1.00 0.14 C ATOM 1281 O GLY A 171 3.693 -1.564 -4.140 1.00 0.18 O ATOM 0 H GLY A 171 1.473 -1.353 -5.071 1.00 0.12 H new ATOM 0 HA2 GLY A 171 3.047 -3.378 -6.503 1.00 0.14 H new ATOM 0 HA3 GLY A 171 2.971 -1.763 -7.178 1.00 0.14 H new ATOM 1285 N ARG A 172 5.203 -1.835 -5.785 1.00 0.18 N ATOM 1286 CA ARG A 172 6.338 -1.451 -4.960 1.00 0.19 C ATOM 1287 C ARG A 172 6.238 0.025 -4.603 1.00 0.22 C ATOM 1288 O ARG A 172 5.901 0.852 -5.453 1.00 0.36 O ATOM 1289 CB ARG A 172 7.659 -1.724 -5.692 1.00 0.23 C ATOM 1290 CG ARG A 172 7.816 -3.155 -6.199 1.00 0.32 C ATOM 1291 CD ARG A 172 8.046 -4.154 -5.075 1.00 0.39 C ATOM 1292 NE ARG A 172 7.942 -5.527 -5.556 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.620 -6.550 -5.046 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.515 -6.345 -4.086 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.417 -7.773 -5.513 1.00 1.93 N ATOM 0 H ARG A 172 5.441 -2.060 -6.751 1.00 0.18 H new ATOM 0 HA ARG A 172 6.321 -2.046 -4.047 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.739 -1.041 -6.538 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.486 -1.497 -5.020 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.923 -3.439 -6.755 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.653 -3.199 -6.896 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.032 -3.993 -4.639 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.316 -3.988 -4.283 1.00 0.39 H new ATOM 0 HE ARG A 172 7.309 -5.714 -6.333 1.00 1.03 H new ATOM 0 HH11 ARG A 172 9.683 -5.401 -3.739 1.00 1.34 H new ATOM 0 HH12 ARG A 172 10.034 -7.132 -3.696 1.00 1.34 H new ATOM 0 HH21 ARG A 172 7.742 -7.927 -6.262 1.00 1.93 H new ATOM 0 HH22 ARG A 172 8.936 -8.560 -5.124 1.00 1.93 H new